#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6s s THR 2 N 0.00 3.07 -0.14 3.15 2.01 -1.25 -4.99 115.64 117.50 3g6s s THR 2 Ca 0.00 -1.72 -0.07 0.00 0.31 0.00 0.00 61.69 60.21 3g6s s THR 2 Cb 0.00 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 3g6s s THR 2 CO 0.00 -0.38 0.13 -1.81 -0.69 0.00 0.00 174.62 171.87 3g6s s ASP 3 N 1.45 6.27 -0.16 3.53 -0.00 -1.26 -1.09 116.67 125.41 3g6s s ASP 3 Ca 0.02 0.39 -0.07 0.00 -0.00 0.00 0.00 52.55 52.89 3g6s s ASP 3 Cb -0.21 -2.04 0.07 0.00 -0.00 0.00 0.00 42.92 40.74 3g6s s ASP 3 CO -0.03 0.35 0.37 0.54 -0.00 0.00 0.00 175.17 176.40 3g6s s VAL 4 N -0.70 -0.30 -0.48 -1.27 0.11 -0.93 -5.02 120.40 111.81 3g6s s VAL 4 Ca 0.13 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.12 3g6s s VAL 4 Cb -0.12 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3g6s s VAL 4 CO 0.03 0.07 0.76 -0.60 -3.33 0.00 0.00 175.10 172.03 3g6s s ARG 5 N 1.95 3.31 0.27 1.54 3.52 -1.26 -1.47 118.95 126.82 3g6s s ARG 5 Ca -0.05 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 3g6s s ARG 5 Cb -0.10 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 3g6s s ARG 5 CO -0.11 -1.21 0.46 -0.46 -0.81 0.00 0.00 175.30 173.17 3g6s s TRP 6 N 3.23 3.48 -0.26 5.12 -0.11 0.05 -1.34 118.94 129.11 3g6s s TRP 6 Ca 0.26 0.27 -0.24 0.00 1.22 0.00 0.00 56.10 57.61 3g6s s TRP 6 Cb -0.14 -1.81 0.07 0.00 -1.50 0.00 0.00 33.47 30.09 3g6s s TRP 6 CO 0.19 0.28 0.70 0.00 -4.62 0.00 0.00 176.95 173.50 3g6s s ALA 7 N -2.09 -1.73 -0.09 5.86 0.00 -0.55 -0.81 121.76 122.35 3g6s s ALA 7 Ca 0.38 1.98 0.03 0.00 0.00 0.00 0.00 51.96 54.36 3g6s s ALA 7 Cb -0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3g6s s ALA 7 CO 0.32 -0.33 -0.18 -0.08 0.00 0.00 0.00 175.76 175.49 3g6s s THR 8 N 0.41 2.65 -0.22 0.00 -1.32 -1.08 -0.65 115.64 115.44 3g6s s THR 8 Ca -0.00 -0.83 -0.09 0.00 -1.21 0.00 0.00 61.69 59.55 3g6s s THR 8 Cb -0.05 -2.05 0.09 0.00 -1.51 0.00 0.00 72.50 68.98 3g6s s THR 8 CO 0.00 0.56 0.49 0.12 -2.21 0.00 0.00 174.62 173.58 3g6s s PHE 9 N -0.05 -0.86 -0.28 9.09 5.36 -0.29 -1.96 117.98 129.00 3g6s s PHE 9 Ca -0.05 1.66 -0.20 0.00 -0.96 0.00 0.00 56.93 57.38 3g6s s PHE 9 Cb -0.14 0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.93 3g6s s PHE 9 CO 0.04 -0.47 0.60 1.21 -1.46 0.00 0.00 175.22 175.14 3g6s s ASN 10 N 2.15 6.51 0.00 6.13 3.84 -1.26 -1.45 114.94 130.86 3g6s s ASN 10 Ca -0.06 0.54 0.27 0.00 0.21 0.00 0.00 52.86 53.82 3g6s s ASN 10 Cb -0.10 -2.32 0.78 0.00 -0.55 0.00 0.00 41.25 39.06 3g6s s ASN 10 CO -0.15 -0.40 1.59 2.30 -2.79 0.00 0.00 177.10 177.66 3g6s n ILE 11 N 5.27 0.00 -1.85 -5.21 -5.35 -1.04 -4.41 119.36 106.77 3g6s n ILE 11 Ca -0.02 -0.29 -0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3g6s n ILE 11 Cb 0.49 0.74 -0.00 0.00 -1.74 0.00 0.00 39.64 39.12 3g6s n ILE 11 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3g6s n ARG 12 N 0.33 -3.10 -1.40 6.28 3.00 -1.26 -4.79 116.66 115.72 3g6s n ARG 12 Ca 0.17 2.46 -0.37 0.00 -0.00 0.00 0.00 57.85 60.11 3g6s n ARG 12 Cb 0.41 -3.10 0.07 0.00 0.00 0.00 0.00 32.46 29.84 3g6s n ARG 12 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 3g6s n TYR 13 N 1.10 0.01 -1.76 -0.14 0.18 -1.07 -4.84 117.16 110.64 3g6s n TYR 13 Ca -0.03 0.39 -0.43 0.00 1.88 0.00 0.00 57.90 59.72 3g6s n TYR 13 Cb 0.05 -2.02 -0.03 0.00 -0.38 0.00 0.00 39.34 36.96 3g6s n TYR 13 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3g6s s ASP 14 N -1.44 5.90 -0.18 9.48 -1.08 -1.26 -4.83 116.67 123.26 3g6s s ASP 14 Ca 0.71 1.95 -0.04 0.00 -0.52 0.00 0.00 52.55 54.65 3g6s s ASP 14 Cb -0.37 -2.52 0.06 0.00 -1.46 0.00 0.00 42.92 38.62 3g6s s ASP 14 CO 0.53 -1.60 0.06 0.21 0.52 0.00 0.00 175.17 174.88 3g6s s ASN 15 N 6.43 2.63 0.61 -0.34 2.47 -1.26 -5.01 114.94 120.48 3g6s s ASN 15 Ca 0.90 -0.71 0.29 0.00 0.42 0.00 0.00 52.86 53.76 3g6s s ASN 15 Cb -0.33 -0.43 1.53 0.00 -1.45 0.00 0.00 41.25 40.57 3g6s s ASN 15 CO 0.35 -0.32 1.92 1.55 -3.72 0.00 0.00 177.10 176.88 3g6s h PRO 16 N 8.32 0.00 0.00 0.43 0.13 -1.96 0.10 132.00 139.03 3g6s h PRO 16 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3g6s h PRO 16 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3g6s h PRO 16 CO 0.31 0.00 0.00 0.37 -0.23 0.00 0.00 178.00 178.45 3g6s h GLN 17 N 0.00 0.00 0.00 0.86 4.15 -2.00 -2.45 115.11 115.66 3g6s h GLN 17 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3g6s h GLN 17 Cb 0.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3g6s h GLN 17 CO -0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 176.65 3g6s n ASP 18 N -2.76 0.00 0.00 -0.69 10.43 0.36 -4.90 116.55 118.98 3g6s n ASP 18 Ca 0.01 0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.72 3g6s n ASP 18 Cb 0.28 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.81 3g6s n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3g6s n SER 19 N -1.43 0.00 0.00 -2.24 3.41 -0.93 -0.51 113.62 111.93 3g6s n SER 19 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.71 3g6s n SER 19 Cb 0.16 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.36 3g6s n SER 19 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g6s n LEU 20 N 0.00 0.00 -0.98 1.04 4.32 -1.26 -1.25 117.00 118.87 3g6s n LEU 20 Ca 0.00 0.46 0.10 0.00 -0.02 0.00 0.00 56.01 56.55 3g6s n LEU 20 Cb 0.00 -0.46 0.18 0.00 -1.62 0.00 0.00 43.42 41.51 3g6s n LEU 20 CO 0.00 -0.28 0.65 0.59 -1.22 0.00 0.00 177.39 177.13 3g6s n ASN 21 N -1.46 3.17 -4.63 -1.43 3.02 0.34 -4.83 115.26 109.43 3g6s n ASN 21 Ca 0.03 -1.92 -0.36 0.00 -0.03 0.00 0.00 54.58 52.30 3g6s n ASN 21 Cb 0.12 -0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.17 3g6s n ASN 21 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3g6s n ASN 22 N 1.24 0.78 -0.20 6.41 5.15 -0.38 -4.84 115.26 123.42 3g6s n ASN 22 Ca 0.16 0.71 0.25 0.00 -0.60 0.00 0.00 54.58 55.10 3g6s n ASN 22 Cb 0.54 -1.43 0.65 0.00 -0.53 0.00 0.00 39.78 39.01 3g6s n ASN 22 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3g6s h TRP 23 N -0.05 0.19 -0.15 1.20 2.91 -1.88 -0.53 115.95 117.65 3g6s h TRP 23 Ca -0.48 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.53 3g6s h TRP 23 Cb 1.34 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.92 3g6s h TRP 23 CO 0.40 0.04 0.04 1.96 -1.03 0.00 0.00 178.44 179.85 3g6s h GLN 24 N 0.14 0.21 -0.04 2.65 1.08 -1.94 0.18 115.11 117.38 3g6s h GLN 24 Ca 0.44 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3g6s h GLN 24 Cb 1.52 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 3g6s h GLN 24 CO -0.07 0.19 0.00 0.66 -0.95 0.00 0.00 178.83 178.66 3g6s n TYR 25 N -4.45 0.03 0.00 2.96 4.01 -0.21 -4.08 117.16 115.43 3g6s n TYR 25 Ca -0.01 -0.02 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3g6s n TYR 25 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3g6s n TYR 25 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3g6s n ARG 26 N 0.34 0.45 -0.29 -0.72 1.74 -0.71 -4.76 116.66 112.71 3g6s n ARG 26 Ca 0.18 -0.02 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3g6s n ARG 26 Cb 0.38 -1.02 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 3g6s n ARG 26 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3g6s n LYS 27 N -1.53 -0.30 -0.22 5.56 5.02 -0.03 -0.77 118.16 125.89 3g6s n LYS 27 Ca -0.00 1.27 -0.08 0.00 -2.02 0.00 0.00 58.31 57.48 3g6s n LYS 27 Cb 0.05 -1.87 0.03 0.00 -0.02 0.00 0.00 35.03 33.22 3g6s n LYS 27 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3g6s h ASP 28 N 0.00 0.91 -0.73 4.39 5.19 -1.87 -2.42 116.42 121.88 3g6s h ASP 28 Ca 0.11 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.35 3g6s h ASP 28 Cb 0.28 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 3g6s h ASP 28 CO -0.64 0.87 0.46 0.03 -3.12 0.00 0.00 179.24 176.84 3g6s h ARG 29 N 0.89 0.86 -0.13 3.56 3.08 -1.56 -0.09 114.38 120.98 3g6s h ARG 29 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3g6s h ARG 29 Cb 0.28 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3g6s h ARG 29 CO -0.01 0.57 -0.00 0.28 -1.07 0.00 0.00 179.97 179.74 3g6s h VAL 30 N 0.88 1.25 -0.47 2.04 2.07 -0.79 -1.84 116.25 119.40 3g6s h VAL 30 Ca 0.30 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3g6s h VAL 30 Cb 0.05 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3g6s h VAL 30 CO -0.12 0.24 0.30 0.00 0.02 0.00 0.00 177.57 178.01 3g6s h GLN 32 N 0.61 0.58 -0.33 0.00 5.75 -0.96 -1.82 115.11 118.93 3g6s h GLN 32 Ca 0.18 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3g6s h GLN 32 Cb -0.05 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 3g6s h GLN 32 CO -0.05 0.38 0.01 0.35 -2.65 0.00 0.00 178.83 176.87 3g6s h PHE 33 N 0.60 -0.00 0.13 3.99 3.57 -1.06 0.23 116.94 124.39 3g6s h PHE 33 Ca 0.19 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3g6s h PHE 33 Cb -0.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3g6s h PHE 33 CO -0.06 -0.05 -0.22 0.82 -2.23 0.00 0.00 178.31 176.57 3g6s h ILE 34 N 0.11 0.52 -0.67 1.41 2.04 -1.02 -0.32 117.51 119.57 3g6s h ILE 34 Ca 0.16 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 3g6s h ILE 34 Cb 0.21 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3g6s h ILE 34 CO -0.26 0.00 0.10 0.11 0.00 0.00 0.00 178.15 178.10 3g6s h LYS 35 N -0.42 1.11 0.09 2.37 6.56 -1.07 -1.89 116.57 123.32 3g6s h LYS 35 Ca 0.02 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 3g6s h LYS 35 Cb 0.43 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 3g6s h LYS 35 CO -0.11 1.02 -0.07 -0.44 -2.06 0.00 0.00 179.45 177.79 3g6s h ASP 36 N 1.03 -0.18 -0.01 0.86 5.19 -0.30 -2.06 116.42 120.96 3g6s h ASP 36 Ca 0.20 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3g6s h ASP 36 Cb 0.45 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3g6s h ASP 36 CO 0.01 -0.11 0.00 1.41 -3.12 0.00 0.00 179.24 177.43 3g6s n HIS 37 N -5.18 0.01 -3.90 4.55 8.25 -0.15 -4.91 115.22 113.89 3g6s n HIS 37 Ca -0.07 -0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 3g6s n HIS 37 Cb 0.11 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 3g6s n HIS 37 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3g6s n GLU 38 N -0.73 -2.61 -1.95 -0.41 1.02 -0.77 -4.89 120.64 110.30 3g6s n GLU 38 Ca 0.14 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 3g6s n GLU 38 Cb 0.08 -4.31 -0.03 0.00 -0.02 0.00 0.00 31.44 27.16 3g6s n GLU 38 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3g6s s LEU 39 N -6.88 4.37 -0.12 -4.62 1.02 -0.85 -4.83 118.68 106.77 3g6s s LEU 39 Ca 0.14 2.65 -0.15 0.00 0.02 0.00 0.00 54.13 56.79 3g6s s LEU 39 Cb -0.06 -3.61 -0.26 0.00 0.02 0.00 0.00 46.19 42.29 3g6s s LEU 39 CO 0.89 -0.79 0.47 0.44 0.02 0.00 0.00 176.35 177.38 3g6s h ASP 40 N 6.11 0.32 -3.55 2.29 3.32 -1.55 -3.44 116.42 119.92 3g6s h ASP 40 Ca -0.44 -0.82 -0.30 0.00 0.02 0.00 0.00 57.03 55.49 3g6s h ASP 40 Cb 1.21 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.32 3g6s h ASP 40 CO 0.86 1.64 -0.73 -0.63 -1.72 0.00 0.00 179.24 178.66 3g6s s ILE 41 N -2.47 0.00 -0.06 0.35 1.01 -1.12 -2.32 121.20 116.59 3g6s s ILE 41 Ca -0.22 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3g6s s ILE 41 Cb 0.05 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.43 3g6s s ILE 41 CO 0.74 0.09 -0.08 -0.69 0.00 0.00 0.00 174.94 175.00 3g6s s VAL 42 N 0.90 0.80 0.36 2.92 1.01 0.47 -1.49 120.40 125.39 3g6s s VAL 42 Ca -0.08 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3g6s s VAL 42 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3g6s s VAL 42 CO -0.02 0.29 0.29 -0.83 0.00 0.00 0.00 175.10 174.83 3g6s s GLY 43 N 0.92 1.94 0.22 4.51 0.00 0.17 -0.37 107.32 114.71 3g6s s GLY 43 Ca -0.11 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 42.65 3g6s s GLY 43 CO 0.01 -1.65 0.60 1.20 0.00 0.00 0.00 173.10 173.26 3g6s s GLN 45 N -4.01 1.52 -1.27 2.90 1.11 -0.53 -1.14 119.66 118.24 3g6s s GLN 45 Ca 0.43 -0.87 -0.02 0.00 0.01 0.00 0.00 55.36 54.91 3g6s s GLN 45 Cb -0.04 0.56 -0.00 0.00 -1.01 0.00 0.00 33.01 32.51 3g6s s GLN 45 CO 0.26 -0.67 0.74 0.39 0.01 0.00 0.00 175.29 176.03 3g6s n GLU 46 N -0.39 -4.64 -3.84 2.91 1.02 -1.20 -2.50 120.64 112.00 3g6s n GLU 46 Ca -0.08 0.64 -0.36 0.00 -0.02 0.00 0.00 57.16 57.34 3g6s n GLU 46 Cb 0.62 -5.20 -0.13 0.00 -0.02 0.00 0.00 31.44 26.70 3g6s n GLU 46 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3g6s s VAL 47 N -3.61 3.49 0.60 2.62 1.01 -1.07 -2.61 120.40 120.82 3g6s s VAL 47 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 3g6s s VAL 47 Cb -0.02 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3g6s s VAL 47 CO 0.80 0.05 0.98 -0.76 0.00 0.00 0.00 175.10 176.18 3g6s s LEU 48 N 1.40 3.29 0.28 3.92 1.43 -1.26 0.12 118.68 127.86 3g6s s LEU 48 Ca 0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 3g6s s LEU 48 Cb -0.18 -4.30 0.62 0.00 0.03 0.00 0.00 46.19 42.37 3g6s s LEU 48 CO -0.00 -0.84 1.73 -0.74 0.23 0.00 0.00 176.35 176.73 3g6s h HIS 49 N -0.22 0.72 -0.26 0.29 -0.00 -1.77 0.45 115.15 114.36 3g6s h HIS 49 Ca -0.45 0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 59.85 3g6s h HIS 49 Cb 1.20 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 3g6s h HIS 49 CO 0.63 0.08 -0.29 -2.95 -0.00 0.00 0.00 177.93 175.40 3g6s h ASN 50 N 0.53 0.54 0.01 3.26 7.08 -1.93 -1.34 115.58 123.73 3g6s h ASN 50 Ca 0.51 -0.20 -0.16 0.00 -3.08 0.00 0.00 56.30 53.37 3g6s h ASN 50 Cb 0.84 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 36.92 3g6s h ASN 50 CO -0.43 0.81 -0.55 1.56 -2.08 0.00 0.00 177.43 176.74 3g6s h GLN 51 N 0.46 0.57 -0.43 4.14 4.20 -1.18 -1.66 115.11 121.21 3g6s h GLN 51 Ca 0.06 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 3g6s h GLN 51 Cb 0.74 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3g6s h GLN 51 CO 0.06 0.97 0.25 0.35 -0.67 0.00 0.00 178.83 179.79 3g6s h PHE 52 N 0.44 0.57 -0.56 2.96 3.57 0.09 -1.51 116.94 122.50 3g6s h PHE 52 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3g6s h PHE 52 Cb 1.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3g6s h PHE 52 CO 0.05 0.41 0.21 1.96 -2.23 0.00 0.00 178.31 178.71 3g6s h GLN 53 N 0.57 0.82 -0.50 1.11 1.08 -1.04 -2.28 115.11 114.87 3g6s h GLN 53 Ca 0.15 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 3g6s h GLN 53 Cb 0.01 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3g6s h GLN 53 CO -0.03 0.68 -0.06 -0.44 -0.95 0.00 0.00 178.83 178.03 3g6s h ASP 54 N 0.80 0.88 -0.28 1.46 3.32 -0.85 -1.97 116.42 119.78 3g6s h ASP 54 Ca 0.19 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3g6s h ASP 54 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3g6s h ASP 54 CO -0.01 0.97 0.15 -0.07 -1.72 0.00 0.00 179.24 178.56 3g6s h LEU 55 N 0.81 0.35 -1.11 1.55 -0.00 -0.78 0.15 115.31 116.28 3g6s h LEU 55 Ca 0.14 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 3g6s h LEU 55 Cb 0.57 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 3g6s h LEU 55 CO 0.03 0.34 0.60 0.03 -0.00 0.00 0.00 178.44 179.45 3g6s h ARG 56 N 0.33 1.13 -0.25 1.13 3.08 -1.25 0.36 114.38 118.91 3g6s h ARG 56 Ca 0.10 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 3g6s h ARG 56 Cb 0.07 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3g6s h ARG 56 CO -0.02 0.75 -0.53 0.00 -1.07 0.00 0.00 179.97 179.10 3g6s h ALA 57 N 1.46 0.59 0.00 0.04 0.00 -0.82 -3.18 119.26 117.35 3g6s h ALA 57 Ca 0.36 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3g6s h ALA 57 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3g6s h ALA 57 CO -0.11 0.68 -0.25 0.78 0.00 0.00 0.00 179.25 180.36 3g6s h GLY 58 N 0.88 0.00 -5.93 0.00 0.00 -0.17 -3.36 103.07 94.48 3g6s h GLY 58 Ca 0.02 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.75 3g6s h GLY 58 CO 0.11 0.00 -0.61 1.04 0.00 0.00 0.00 176.54 177.08 3g6s n LEU 59 N -2.81 3.96 0.12 3.11 4.77 0.12 -4.91 117.00 121.37 3g6s n LEU 59 Ca 0.03 -5.51 0.16 0.00 -0.03 0.00 0.00 56.01 50.66 3g6s n LEU 59 Cb 0.51 -0.63 0.71 0.00 -2.33 0.00 0.00 43.42 41.68 3g6s n LEU 59 CO 0.35 2.15 1.14 1.55 -1.33 0.00 0.00 177.39 181.25 3g6s h PRO 60 N 3.83 0.00 -0.03 3.23 0.13 -1.72 -0.98 132.00 136.46 3g6s h PRO 60 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3g6s h PRO 60 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 3g6s h PRO 60 CO 0.83 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 3g6s n GLU 61 N -4.28 1.14 -3.20 0.86 1.02 -1.26 -4.85 120.64 110.07 3g6s n GLU 61 Ca 0.04 -0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 56.82 3g6s n GLU 61 Cb 0.40 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 3g6s n GLU 61 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3g6s n TYR 62 N -0.60 0.34 -3.68 -0.32 4.02 -0.37 -2.05 117.16 114.51 3g6s n TYR 62 Ca 0.16 -1.20 -0.15 0.00 -0.01 0.00 0.00 57.90 56.70 3g6s n TYR 62 Cb 0.12 -0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 3g6s n TYR 62 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3g6s s ASP 63 N -2.38 -0.43 0.21 7.72 -1.08 -0.66 -4.70 116.67 115.35 3g6s s ASP 63 Ca 0.02 0.59 0.06 0.00 -0.52 0.00 0.00 52.55 52.70 3g6s s ASP 63 Cb -0.00 0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3g6s s ASP 63 CO 0.01 -0.39 0.14 -0.83 0.52 0.00 0.00 175.17 174.62 3g6s s GLY 64 N -0.71 1.58 -0.03 2.66 0.00 -1.26 -2.11 107.32 107.46 3g6s s GLY 64 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.29 3g6s s GLY 64 CO 0.04 -1.38 0.01 -0.42 0.00 0.00 0.00 173.10 171.36 3g6s s ILE 65 N -1.95 0.08 0.00 0.90 1.01 -0.70 -4.95 121.20 115.59 3g6s s ILE 65 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3g6s s ILE 65 Cb -0.09 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.19 3g6s s ILE 65 CO 0.23 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3g6s n GLY 66 N 4.17 2.95 3.28 6.18 0.00 -1.26 -2.30 105.19 118.19 3g6s n GLY 66 Ca -0.27 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 3g6s n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g6s s VAL 67 N -1.89 0.00 0.40 1.61 -7.23 -1.26 -5.02 120.40 107.00 3g6s s VAL 67 Ca 0.00 -1.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.00 3g6s s VAL 67 Cb 0.00 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 3g6s s VAL 67 CO 0.00 0.00 1.24 -0.83 -0.31 0.00 0.00 175.10 175.20 3g6s s GLY 68 N -3.18 2.91 0.00 2.32 0.00 -0.12 -4.48 107.32 104.76 3g6s s GLY 68 Ca 0.37 1.11 0.31 0.00 0.00 0.00 0.00 44.72 46.51 3g6s s GLY 68 CO 0.15 1.66 2.17 -0.96 0.00 0.00 0.00 173.10 176.12 3g6s n ARG 69 N 0.14 1.08 -0.08 2.90 1.85 -1.05 -1.84 116.66 119.67 3g6s n ARG 69 Ca 0.04 -0.11 -0.21 0.00 -1.00 0.00 0.00 57.85 56.56 3g6s n ARG 69 Cb 0.45 -1.49 -0.12 0.00 -1.05 0.00 0.00 32.46 30.24 3g6s n ARG 69 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3g6s n ASP 70 N -0.86 2.02 -0.67 2.89 8.00 -0.59 -4.21 116.55 123.14 3g6s n ASP 70 Ca 0.23 0.10 0.03 0.00 0.71 0.00 0.00 54.79 55.87 3g6s n ASP 70 Cb 0.14 -0.69 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3g6s n ASP 70 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3g6s n ASP 71 N -3.57 0.82 -1.35 -2.24 5.68 -1.25 -4.03 116.55 110.60 3g6s n ASP 71 Ca -0.40 -2.37 -0.16 0.00 -0.50 0.00 0.00 54.79 51.36 3g6s n ASP 71 Cb 0.97 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.59 3g6s n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g6s n GLY 72 N -0.24 1.49 0.00 6.12 0.00 -0.76 -4.79 105.19 107.01 3g6s n GLY 72 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3g6s n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6s n LYS 73 N -1.85 0.00 0.00 1.61 5.02 -1.24 -4.57 118.16 117.12 3g6s n LYS 73 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3g6s n LYS 73 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 3g6s n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3g6s n THR 74 N 0.00 0.00 -3.07 -0.18 -2.24 -1.26 -0.95 114.28 106.58 3g6s n THR 74 Ca 0.00 -0.38 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 3g6s n THR 74 Cb 0.00 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 3g6s n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g6s s ALA 75 N -0.15 3.37 0.00 6.98 0.00 -1.26 -4.43 121.76 126.27 3g6s s ALA 75 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3g6s s ALA 75 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3g6s s ALA 75 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3g6s n GLY 76 N 2.85 0.01 3.76 0.00 0.00 -1.26 -1.54 105.19 109.02 3g6s n GLY 76 Ca -0.03 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 3g6s n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6s s GLU 77 N -1.11 4.70 0.45 1.61 2.02 -1.26 -4.40 118.70 120.71 3g6s s GLU 77 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.47 3g6s s GLU 77 Cb 0.00 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.16 3g6s s GLU 77 CO 0.00 0.36 0.67 0.71 0.02 0.00 0.00 175.26 177.02 3g6s s TYR 78 N -1.35 3.21 -0.38 1.61 4.12 0.33 -2.54 117.35 122.34 3g6s s TYR 78 Ca 0.46 0.21 0.11 0.00 0.02 0.00 0.00 57.07 57.87 3g6s s TYR 78 Cb -0.24 -2.32 0.34 0.00 -1.52 0.00 0.00 41.96 38.22 3g6s s TYR 78 CO 0.30 -0.37 0.72 0.00 0.02 0.00 0.00 175.55 176.22 3g6s n ALA 79 N -2.08 2.18 -1.50 3.71 0.00 -1.26 -2.60 120.51 118.97 3g6s n ALA 79 Ca 0.02 -3.47 -0.30 0.00 0.00 0.00 0.00 53.44 49.68 3g6s n ALA 79 Cb 0.58 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 19.20 3g6s n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g6s s PRO 80 N -2.36 2.19 -0.14 0.00 0.04 -1.26 -4.25 135.00 129.23 3g6s s PRO 80 Ca 0.40 0.77 0.02 0.00 0.04 0.00 0.00 61.00 62.22 3g6s s PRO 80 Cb 0.33 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.96 3g6s s PRO 80 CO -0.09 -1.58 -0.18 -0.51 0.04 0.00 0.00 177.00 174.69 3g6s s LEU 81 N -5.79 1.90 -0.09 -3.56 1.43 -0.97 -4.32 118.68 107.28 3g6s s LEU 81 Ca 0.60 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3g6s s LEU 81 Cb -0.15 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3g6s s LEU 81 CO 0.55 0.02 -0.06 -0.36 0.23 0.00 0.00 176.35 176.73 3g6s s PHE 82 N 1.06 2.97 0.09 0.29 0.40 0.50 -1.73 117.98 121.56 3g6s s PHE 82 Ca -0.03 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 3g6s s PHE 82 Cb -0.14 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 3g6s s PHE 82 CO -0.05 0.25 0.09 1.52 0.70 0.00 0.00 175.22 177.73 3g6s s TYR 83 N -0.55 0.46 -0.26 0.36 1.13 -0.90 -0.40 117.35 117.20 3g6s s TYR 83 Ca 0.08 -0.92 -0.29 0.00 -1.41 0.00 0.00 57.07 54.54 3g6s s TYR 83 Cb -0.12 -0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 3g6s s TYR 83 CO 0.02 -0.50 1.57 1.03 -2.51 0.00 0.00 175.55 175.17 3g6s s ARG 84 N -3.93 3.74 0.25 -3.49 1.81 -0.98 -1.65 118.95 114.70 3g6s s ARG 84 Ca 0.11 1.52 -0.03 0.00 -1.72 0.00 0.00 55.73 55.61 3g6s s ARG 84 Cb 0.06 -4.03 0.47 0.00 -0.45 0.00 0.00 34.95 31.01 3g6s s ARG 84 CO -0.07 -1.35 1.76 0.87 -0.68 0.00 0.00 175.30 175.83 3g6s h LYS 85 N 10.76 0.57 0.00 3.54 1.57 -1.67 -1.61 116.57 129.72 3g6s h LYS 85 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3g6s h LYS 85 Cb 1.14 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3g6s h LYS 85 CO 1.02 0.38 0.00 0.38 -0.57 0.00 0.00 179.45 180.65 3g6s h ASP 86 N 0.59 0.00 0.08 0.86 2.03 -1.91 -3.36 116.42 114.71 3g6s h ASP 86 Ca 0.43 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.37 3g6s h ASP 86 Cb 0.58 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 3g6s h ASP 86 CO -0.35 0.00 -2.07 0.29 -1.03 0.00 0.00 179.24 176.08 3g6s n LYS 87 N -2.95 0.71 -4.57 4.15 5.02 -0.74 -4.88 118.16 114.89 3g6s n LYS 87 Ca 0.04 0.27 -0.26 0.00 -2.02 0.00 0.00 58.31 56.34 3g6s n LYS 87 Cb 0.48 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 3g6s n LYS 87 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3g6s s TYR 88 N -2.53 1.86 -0.04 2.13 2.02 -0.68 -2.12 117.35 117.99 3g6s s TYR 88 Ca -0.27 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 3g6s s TYR 88 Cb 0.07 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3g6s s TYR 88 CO 0.70 0.13 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.72 3g6s s GLU 89 N -1.38 2.62 -0.43 -0.62 2.12 -0.54 -4.64 118.70 115.83 3g6s s GLU 89 Ca 0.08 -0.64 -0.20 0.00 0.36 0.00 0.00 54.97 54.57 3g6s s GLU 89 Cb -0.09 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.81 3g6s s GLU 89 CO 0.02 0.64 0.58 0.08 -0.54 0.00 0.00 175.26 176.04 3g6s s VAL 90 N -0.84 4.91 0.11 3.70 1.01 -1.26 -1.62 120.40 126.40 3g6s s VAL 90 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3g6s s VAL 90 Cb -0.11 -4.15 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 3g6s s VAL 90 CO 0.03 -0.54 1.25 -0.07 0.00 0.00 0.00 175.10 175.77 3g6s h LEU 91 N 9.50 0.64 -7.00 3.92 3.38 -1.20 -3.47 115.31 121.07 3g6s h LEU 91 Ca -0.26 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.24 3g6s h LEU 91 Cb 1.10 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 3g6s h LEU 91 CO 0.86 1.34 0.40 -0.62 0.09 0.00 0.00 178.44 180.51 3g6s s ASP 92 N -7.16 -0.45 0.03 -0.43 2.15 -1.19 -5.00 116.67 104.62 3g6s s ASP 92 Ca -0.07 0.18 -0.27 0.00 0.43 0.00 0.00 52.55 52.82 3g6s s ASP 92 Cb 0.08 0.44 0.09 0.00 -0.30 0.00 0.00 42.92 43.23 3g6s s ASP 92 CO 0.89 -0.64 0.79 -0.94 -0.17 0.00 0.00 175.17 175.10 3g6s s SER 93 N -2.08 -0.45 0.05 -0.34 1.04 -1.26 0.19 113.70 110.85 3g6s s SER 93 Ca 0.01 0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.30 3g6s s SER 93 Cb -0.01 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.64 3g6s s SER 93 CO -0.05 -0.71 1.00 -3.20 0.98 0.00 0.00 173.24 171.26 3g6s n ASN 94 N -0.13 -1.19 -3.77 7.02 5.15 -0.63 -4.99 115.26 116.72 3g6s n ASN 94 Ca -0.12 -1.43 -0.13 0.00 -0.60 0.00 0.00 54.58 52.30 3g6s n ASN 94 Cb 0.62 1.89 -0.13 0.00 -0.53 0.00 0.00 39.78 41.63 3g6s n ASN 94 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3g6s s THR 95 N -2.08 -0.03 0.26 -0.44 -1.32 -1.26 -0.72 115.64 110.05 3g6s s THR 95 Ca 0.23 0.10 0.09 0.00 -1.21 0.00 0.00 61.69 60.90 3g6s s THR 95 Cb -0.01 -0.27 -0.05 0.00 -1.51 0.00 0.00 72.50 70.66 3g6s s THR 95 CO 0.02 0.04 -0.13 0.72 -2.21 0.00 0.00 174.62 173.06 3g6s s PHE 96 N 0.77 2.00 -0.14 9.09 -0.12 -0.79 -4.98 117.98 123.80 3g6s s PHE 96 Ca -0.06 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.12 3g6s s PHE 96 Cb -0.07 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 3g6s s PHE 96 CO -0.04 0.46 0.42 -1.58 -0.05 0.00 0.00 175.22 174.42 3g6s s TRP 97 N -2.82 3.48 -1.07 3.49 0.51 -0.13 -2.10 118.94 120.29 3g6s s TRP 97 Ca 0.27 0.77 -0.23 0.00 -2.12 0.00 0.00 56.10 54.79 3g6s s TRP 97 Cb -0.00 -2.49 -0.04 0.00 -0.81 0.00 0.00 33.47 30.12 3g6s s TRP 97 CO 0.11 0.16 1.88 -0.51 -0.51 0.00 0.00 176.95 178.08 3g6s s LEU 98 N 0.70 3.21 0.00 2.99 1.43 -0.78 -3.60 118.68 122.64 3g6s s LEU 98 Ca 0.22 -1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 51.86 3g6s s LEU 98 Cb -0.14 -2.58 0.05 0.00 0.03 0.00 0.00 46.19 43.55 3g6s s LEU 98 CO 0.08 -2.63 0.68 0.00 0.23 0.00 0.00 176.35 174.71 3g6s n ALA 99 N 13.17 -1.54 0.23 4.21 0.00 -1.26 -4.06 120.51 131.26 3g6s n ALA 99 Ca 0.42 -1.05 0.15 0.00 0.00 0.00 0.00 53.44 52.97 3g6s n ALA 99 Cb 0.47 0.83 0.82 0.00 0.00 0.00 0.00 19.45 21.57 3g6s n ALA 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g6s h GLU 100 N 0.00 0.00 -3.02 0.00 3.07 -1.94 -3.30 114.58 109.39 3g6s h GLU 100 Ca -0.28 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.99 3g6s h GLU 100 Cb 1.04 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.55 3g6s h GLU 100 CO 0.35 0.00 -0.77 1.21 -1.40 0.00 0.00 179.01 178.40 3g6s s ASN 101 N -6.13 3.57 0.00 1.42 3.04 -1.26 -4.99 114.94 110.58 3g6s s ASN 101 Ca -0.05 -2.14 0.00 0.00 0.04 0.00 0.00 52.86 50.71 3g6s s ASN 101 Cb 0.16 -0.77 0.00 0.00 -1.54 0.00 0.00 41.25 39.09 3g6s s ASN 101 CO 0.58 -0.33 0.86 -0.81 -3.04 0.00 0.00 177.10 174.36 3g6s n PRO 102 N 4.16 0.00 0.00 0.43 -0.04 -1.24 -1.56 135.00 136.75 3g6s n PRO 102 Ca 0.05 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 3g6s n PRO 102 Cb 0.38 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3g6s n PRO 102 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3g6s n ASP 103 N -1.36 0.95 -4.50 3.54 10.43 -1.26 -0.96 116.55 123.39 3g6s n ASP 103 Ca 0.00 -0.84 -0.42 0.00 2.57 0.00 0.00 54.79 56.09 3g6s n ASP 103 Cb 0.00 0.75 -0.03 0.00 1.84 0.00 0.00 41.12 43.68 3g6s n ASP 103 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3g6s s SER 104 N -2.95 6.41 0.17 -2.24 0.15 -0.60 -4.99 113.70 109.65 3g6s s SER 104 Ca 0.10 -1.39 -0.34 0.00 0.70 0.00 0.00 55.95 55.02 3g6s s SER 104 Cb 0.17 -2.47 -0.15 0.00 -1.71 0.00 0.00 66.02 61.85 3g6s s SER 104 CO 0.80 -1.39 1.32 0.55 1.20 0.00 0.00 173.24 175.71 3g6s n VAL 105 N 6.12 0.57 -1.85 4.45 3.14 -1.26 -4.84 118.33 124.66 3g6s n VAL 105 Ca 0.17 -0.14 -0.02 0.00 -2.96 0.00 0.00 64.34 61.39 3g6s n VAL 105 Cb 0.49 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 3g6s n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g6s n GLY 106 N 2.36 -0.78 3.65 7.55 0.00 -1.26 -4.95 105.19 111.76 3g6s n GLY 106 Ca 0.15 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 3g6s n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6s s GLY 109 N -1.60 0.31 0.00 -0.02 0.00 -1.26 -4.94 107.32 99.82 3g6s s GLY 109 Ca 0.05 3.44 0.00 0.00 0.00 0.00 0.00 44.72 48.21 3g6s s GLY 109 CO 0.19 2.32 0.00 0.79 0.00 0.00 0.00 173.10 176.40 3g6s n TRP 110 N 2.54 0.00 0.15 1.90 8.01 -1.26 -1.43 117.44 127.35 3g6s n TRP 110 Ca -0.14 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.13 3g6s n TRP 110 Cb 0.57 0.03 0.44 0.00 -2.01 0.00 0.00 31.31 30.33 3g6s n TRP 110 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3g6s n ASP 111 N -0.40 0.42 -3.29 -0.99 9.92 -1.26 -4.84 116.55 116.11 3g6s n ASP 111 Ca 0.00 0.65 -0.32 0.00 -0.53 0.00 0.00 54.79 54.59 3g6s n ASP 111 Cb 0.00 -0.67 -0.00 0.00 -0.64 0.00 0.00 41.12 39.81 3g6s n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g6s n ALA 112 N -1.66 -2.61 -0.00 2.24 0.00 -0.51 -3.82 120.51 114.14 3g6s n ALA 112 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.52 3g6s n ALA 112 Cb 0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3g6s n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g6s n VAL 113 N -0.79 0.05 -3.92 0.00 0.31 -1.26 -4.85 118.33 107.88 3g6s n VAL 113 Ca 0.09 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 3g6s n VAL 113 Cb 0.31 0.06 -0.13 0.00 -0.91 0.00 0.00 33.84 33.16 3g6s n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g6s n VAL 115 N 2.48 1.46 -4.28 0.00 3.14 -1.26 -4.88 118.33 114.99 3g6s n VAL 115 Ca -0.17 -0.36 -0.20 0.00 -2.96 0.00 0.00 64.34 60.65 3g6s n VAL 115 Cb 0.58 -1.96 -0.11 0.00 -1.06 0.00 0.00 33.84 31.29 3g6s n VAL 115 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3g6s s ARG 116 N -1.22 1.13 0.21 1.45 1.81 -1.26 -5.03 118.95 116.04 3g6s s ARG 116 Ca 0.59 -1.30 -0.05 0.00 -1.72 0.00 0.00 55.73 53.25 3g6s s ARG 116 Cb -0.49 -1.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.87 3g6s s ARG 116 CO 0.55 0.22 0.23 0.96 -0.68 0.00 0.00 175.30 176.58 3g6s s ILE 117 N -2.04 0.01 -0.03 1.52 -4.36 -1.26 -1.86 121.20 113.18 3g6s s ILE 117 Ca 0.11 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 3g6s s ILE 117 Cb -0.06 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.32 3g6s s ILE 117 CO 0.05 -0.05 -0.01 0.00 0.24 0.00 0.00 174.94 175.17 3g6s s ALA 118 N -4.10 0.33 -0.10 2.27 0.00 -0.89 -3.11 121.76 116.15 3g6s s ALA 118 Ca 0.32 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3g6s s ALA 118 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3g6s s ALA 118 CO 0.10 -0.05 -0.11 0.99 0.00 0.00 0.00 175.76 176.69 3g6s s THR 119 N 0.86 3.26 0.25 0.00 2.01 0.34 -1.88 115.64 120.49 3g6s s THR 119 Ca -0.09 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3g6s s THR 119 Cb -0.12 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 3g6s s THR 119 CO -0.01 0.55 -0.01 -1.66 -0.69 0.00 0.00 174.62 172.79 3g6s s TRP 120 N -0.08 1.71 -0.28 4.92 1.48 0.10 -0.58 118.94 126.22 3g6s s TRP 120 Ca -0.01 -0.87 -0.19 0.00 -1.06 0.00 0.00 56.10 53.96 3g6s s TRP 120 Cb -0.14 -1.00 0.08 0.00 -1.16 0.00 0.00 33.47 31.25 3g6s s TRP 120 CO 0.03 0.05 0.71 0.00 -4.06 0.00 0.00 176.95 173.68 3g6s s ALA 121 N -3.30 -1.85 -0.44 2.67 0.00 -0.20 -1.60 121.76 117.03 3g6s s ALA 121 Ca 0.30 2.28 -0.20 0.00 0.00 0.00 0.00 51.96 54.33 3g6s s ALA 121 Cb 0.06 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3g6s s ALA 121 CO 0.10 -0.36 0.62 0.21 0.00 0.00 0.00 175.76 176.33 3g6s s LYS 122 N 1.17 3.24 0.47 0.00 2.20 0.13 -1.47 119.74 125.48 3g6s s LYS 122 Ca -0.06 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 3g6s s LYS 122 Cb -0.05 -3.97 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 3g6s s LYS 122 CO -0.12 -1.02 0.66 -0.06 -0.36 0.00 0.00 175.35 174.45 3g6s s PHE 123 N 2.74 2.94 -0.12 4.03 0.08 0.30 -0.63 117.98 127.33 3g6s s PHE 123 Ca 0.21 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 3g6s s PHE 123 Cb -0.15 -2.48 0.05 0.00 -0.57 0.00 0.00 43.02 39.87 3g6s s PHE 123 CO 0.18 -0.55 0.28 0.21 -0.10 0.00 0.00 175.22 175.23 3g6s s LYS 124 N -4.54 0.24 -0.50 0.44 2.20 -0.64 -2.40 119.74 114.53 3g6s s LYS 124 Ca 0.54 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.44 3g6s s LYS 124 Cb -0.10 -0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.14 3g6s s LYS 124 CO 0.36 -0.16 1.26 0.34 -0.36 0.00 0.00 175.35 176.79 3g6s s ASP 125 N 1.30 6.43 0.00 1.43 2.15 0.57 -1.47 116.67 127.07 3g6s s ASP 125 Ca -0.09 0.42 -0.05 0.00 0.43 0.00 0.00 52.55 53.26 3g6s s ASP 125 Cb -0.10 -2.55 -0.21 0.00 -0.30 0.00 0.00 42.92 39.76 3g6s s ASP 125 CO -0.09 -1.44 2.99 2.29 -0.17 0.00 0.00 175.17 178.75 3g6s n LYS 126 N 8.20 1.59 0.00 4.34 2.85 -0.90 0.51 118.16 134.75 3g6s n LYS 126 Ca 0.12 -0.79 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 3g6s n LYS 126 Cb 0.49 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 3g6s n LYS 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3g6s n ALA 127 N 2.59 0.33 0.15 0.58 0.00 -1.26 -4.90 120.51 118.00 3g6s n ALA 127 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.82 3g6s n ALA 127 Cb 0.73 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 3g6s n ALA 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g6s n THR 128 N -1.23 0.00 -0.99 0.00 -2.24 -0.99 -5.00 114.28 103.82 3g6s n THR 128 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3g6s n THR 128 Cb 0.00 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3g6s n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g6s n GLY 129 N 1.69 0.66 3.73 3.38 0.00 0.18 -5.00 105.19 109.83 3g6s n GLY 129 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g6s n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6s s LYS 130 N -0.08 4.38 -0.14 1.61 2.47 -1.25 -4.67 119.74 122.06 3g6s s LYS 130 Ca 0.00 2.02 -0.07 0.00 -1.56 0.00 0.00 55.97 56.36 3g6s s LYS 130 Cb 0.00 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 33.09 3g6s s LYS 130 CO 0.00 -0.31 0.10 0.42 0.16 0.00 0.00 175.35 175.72 3g6s s ILE 131 N 0.58 5.14 0.00 5.43 1.09 -1.26 -0.32 121.20 131.86 3g6s s ILE 131 Ca 0.60 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 60.22 3g6s s ILE 131 Cb -0.36 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.79 3g6s s ILE 131 CO 0.34 0.56 0.00 2.22 -0.10 0.00 0.00 174.94 177.96 3g6s n PHE 132 N 2.55 0.00 -3.64 3.97 -1.74 -1.01 -4.44 117.46 113.15 3g6s n PHE 132 Ca -0.18 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.66 3g6s n PHE 132 Cb 0.54 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.47 3g6s n PHE 132 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3g6s s ALA 134 N -1.19 -2.16 -0.07 1.98 0.00 -0.54 -0.54 121.76 119.26 3g6s s ALA 134 Ca 0.00 2.07 0.01 0.00 0.00 0.00 0.00 51.96 54.04 3g6s s ALA 134 Cb 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3g6s s ALA 134 CO 0.00 -0.30 -0.07 0.08 0.00 0.00 0.00 175.76 175.47 3g6s s VAL 135 N 0.90 0.79 -0.08 0.00 1.01 0.25 -1.04 120.40 122.24 3g6s s VAL 135 Ca -0.04 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3g6s s VAL 135 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3g6s s VAL 135 CO -0.12 0.29 -0.20 0.21 0.00 0.00 0.00 175.10 175.28 3g6s s ASN 136 N 1.07 2.63 0.27 3.32 2.47 0.26 -0.44 114.94 124.53 3g6s s ASN 136 Ca -0.08 -0.46 -0.03 0.00 0.42 0.00 0.00 52.86 52.71 3g6s s ASN 136 Cb -0.14 -1.09 -0.02 0.00 -1.45 0.00 0.00 41.25 38.55 3g6s s ASN 136 CO -0.01 0.14 0.33 0.28 -3.72 0.00 0.00 177.10 174.12 3g6s s THR 137 N 0.32 0.00 -0.19 -5.21 -1.32 -0.27 -0.50 115.64 108.47 3g6s s THR 137 Ca -0.14 -1.76 -0.05 0.00 -1.21 0.00 0.00 61.69 58.54 3g6s s THR 137 Cb -0.16 -2.47 0.07 0.00 -1.51 0.00 0.00 72.50 68.43 3g6s s THR 137 CO 0.06 0.00 0.13 -2.28 -2.21 0.00 0.00 174.62 170.32 3g6s s HIS 138 N -3.69 0.08 0.70 9.09 2.46 -1.18 -2.52 115.29 120.22 3g6s s HIS 138 Ca 0.33 -0.21 -0.11 0.00 0.47 0.00 0.00 55.06 55.54 3g6s s HIS 138 Cb 0.02 -0.62 0.01 0.00 -0.13 0.00 0.00 32.58 31.86 3g6s s HIS 138 CO 0.16 -0.55 1.09 -0.06 -2.47 0.00 0.00 174.74 172.91 3g6s s PHE 139 N 2.18 3.36 0.15 3.88 0.40 0.23 -4.33 117.98 123.85 3g6s s PHE 139 Ca 0.04 1.08 -0.29 0.00 -0.60 0.00 0.00 56.93 57.15 3g6s s PHE 139 Cb -0.16 -3.03 -0.07 0.00 0.51 0.00 0.00 43.02 40.27 3g6s s PHE 139 CO -0.11 -1.12 0.92 0.34 0.70 0.00 0.00 175.22 175.95 3g6s s ASP 140 N -4.34 7.51 0.23 1.36 3.68 -1.26 -4.71 116.67 119.14 3g6s s ASP 140 Ca 0.58 1.80 0.15 0.00 2.13 0.00 0.00 52.55 57.21 3g6s s ASP 140 Cb -0.11 -2.58 0.01 0.00 -1.45 0.00 0.00 42.92 38.80 3g6s s ASP 140 CO 0.52 0.03 1.31 1.12 0.13 0.00 0.00 175.17 178.29 3g6s h HIS 141 N 5.05 0.00 0.02 -5.34 2.07 -1.88 -3.38 115.15 111.70 3g6s h HIS 141 Ca -0.44 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 56.70 3g6s h HIS 141 Cb 1.21 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.13 3g6s h HIS 141 CO 0.64 0.53 -2.19 0.28 -3.07 0.00 0.00 177.93 174.11 3g6s n VAL 142 N -3.16 1.56 -1.93 6.12 0.31 -1.26 -4.91 118.33 115.07 3g6s n VAL 142 Ca -0.00 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 3g6s n VAL 142 Cb 0.76 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 3g6s n VAL 142 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3g6s s GLY 143 N -5.70 0.47 -0.04 2.92 0.00 -1.25 -4.89 107.32 98.83 3g6s s GLY 143 Ca -0.33 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.22 3g6s s GLY 143 CO 0.59 3.45 0.83 0.83 0.00 0.00 0.00 173.10 178.80 3g6s h GLU 144 N 14.39 -0.36 -0.85 2.90 5.08 -1.90 -2.40 114.58 131.44 3g6s h GLU 144 Ca -0.31 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3g6s h GLU 144 Cb 1.18 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3g6s h GLU 144 CO 1.09 -0.05 0.55 1.49 -1.00 0.00 0.00 179.01 181.09 3g6s h GLU 145 N -0.96 1.05 -0.88 2.33 4.57 -1.95 -1.52 114.58 117.22 3g6s h GLU 145 Ca -0.04 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3g6s h GLU 145 Cb 0.49 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 3g6s h GLU 145 CO 0.06 0.70 0.53 0.00 -1.18 0.00 0.00 179.01 179.11 3g6s h ALA 146 N 1.34 1.26 -0.43 2.92 0.00 -1.82 -0.35 119.26 122.18 3g6s h ALA 146 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3g6s h ALA 146 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3g6s h ALA 146 CO -0.10 0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.49 3g6s h ARG 147 N 0.89 0.64 -0.83 0.00 3.08 -0.75 0.20 114.38 117.60 3g6s h ARG 147 Ca 0.42 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 3g6s h ARG 147 Cb 0.35 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3g6s h ARG 147 CO -0.23 0.59 0.38 -0.09 -1.07 0.00 0.00 179.97 179.54 3g6s h ARG 148 N 0.55 1.21 -0.33 0.04 2.43 -0.81 -2.24 114.38 115.23 3g6s h ARG 148 Ca 0.14 -0.19 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 3g6s h ARG 148 Cb 0.19 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3g6s h ARG 148 CO -0.01 0.95 -0.48 1.96 -1.51 0.00 0.00 179.97 180.87 3g6s h GLN 149 N 1.20 0.90 -0.90 0.20 1.08 -0.81 -2.78 115.11 113.99 3g6s h GLN 149 Ca 0.28 -0.53 0.03 0.00 -1.45 0.00 0.00 58.65 56.99 3g6s h GLN 149 Cb 0.15 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 3g6s h GLN 149 CO -0.03 1.17 0.59 0.77 -0.95 0.00 0.00 178.83 180.38 3g6s h SER 150 N 0.71 0.99 0.01 1.46 0.02 -0.34 0.76 113.55 117.15 3g6s h SER 150 Ca 0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3g6s h SER 150 Cb 1.08 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3g6s h SER 150 CO 0.11 0.69 -0.00 0.00 -1.14 0.00 0.00 176.83 176.48 3g6s h ALA 151 N 1.47 -0.01 -0.61 3.77 0.00 -1.35 -1.66 119.26 120.87 3g6s h ALA 151 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3g6s h ALA 151 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3g6s h ALA 151 CO -0.10 -0.35 0.26 -0.07 0.00 0.00 0.00 179.25 178.99 3g6s h LEU 152 N -0.32 0.79 -0.50 0.00 3.38 -1.21 -2.10 115.31 115.35 3g6s h LEU 152 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3g6s h LEU 152 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3g6s h LEU 152 CO 0.00 0.69 0.22 0.25 0.09 0.00 0.00 178.44 179.70 3g6s h LEU 153 N 0.86 0.67 -0.41 1.67 5.85 -0.73 -1.87 115.31 121.36 3g6s h LEU 153 Ca 0.21 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3g6s h LEU 153 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3g6s h LEU 153 CO -0.02 0.63 0.22 0.40 -0.34 0.00 0.00 178.44 179.33 3g6s h ILE 154 N 0.67 1.16 -0.45 4.05 2.04 -0.88 -1.99 117.51 122.11 3g6s h ILE 154 Ca 0.17 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3g6s h ILE 154 Cb 0.15 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3g6s h ILE 154 CO -0.02 0.17 0.19 0.40 0.00 0.00 0.00 178.15 178.89 3g6s h ILE 155 N 0.53 0.90 0.00 -0.67 2.04 -1.14 -0.46 117.51 118.71 3g6s h ILE 155 Ca 0.14 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3g6s h ILE 155 Cb 0.08 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3g6s h ILE 155 CO -0.02 0.07 -0.08 0.03 0.00 0.00 0.00 178.15 178.14 3g6s h ARG 156 N 0.38 0.00 0.02 2.37 3.08 -1.01 -1.91 114.38 117.31 3g6s h ARG 156 Ca 0.21 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.03 3g6s h ARG 156 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3g6s h ARG 156 CO -0.18 0.08 -1.04 0.87 -1.07 0.00 0.00 179.97 178.63 3g6s h LYS 157 N 0.00 0.05 -0.34 0.04 1.79 -0.51 -2.20 116.57 115.39 3g6s h LYS 157 Ca -0.00 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.23 3g6s h LYS 157 Cb 0.16 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3g6s h LYS 157 CO 0.01 1.04 -0.40 0.82 -1.08 0.00 0.00 179.45 179.83 3g6s h ILE 158 N 0.01 1.28 0.00 1.86 2.04 -0.52 -1.25 117.51 120.93 3g6s h ILE 158 Ca -0.03 -1.58 -0.10 0.00 1.00 0.00 0.00 64.86 64.14 3g6s h ILE 158 Cb 1.81 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3g6s h ILE 158 CO 0.14 0.52 -0.50 0.11 0.00 0.00 0.00 178.15 178.43 3g6s h LYS 159 N 0.68 0.00 -0.01 2.37 1.57 -1.41 -1.54 116.57 118.22 3g6s h LYS 159 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3g6s h LYS 159 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3g6s h LYS 159 CO 0.10 0.50 -0.03 1.49 -0.57 0.00 0.00 179.45 180.93 3g6s h GLU 160 N 0.00 0.04 0.01 3.15 4.81 -1.22 -2.73 114.58 118.64 3g6s h GLU 160 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g6s h GLU 160 Cb 0.99 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3g6s h GLU 160 CO 0.06 0.65 -0.01 0.82 -0.73 0.00 0.00 179.01 179.81 3g6s h ILE 161 N -0.56 1.36 -0.01 2.32 5.03 -1.25 -3.40 117.51 120.99 3g6s h ILE 161 Ca -0.00 -1.94 0.00 0.00 -0.12 0.00 0.00 64.86 62.80 3g6s h ILE 161 Cb 0.65 2.53 0.00 0.00 -3.03 0.00 0.00 36.82 36.97 3g6s h ILE 161 CO 0.01 0.45 -0.02 0.55 -0.68 0.00 0.00 178.15 178.46 3g6s n VAL 162 N -4.68 0.00 0.00 1.67 3.14 -0.65 -5.07 118.33 112.74 3g6s n VAL 162 Ca -0.08 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 3g6s n VAL 162 Cb 0.36 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 3g6s n VAL 162 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g6s n GLY 163 N 0.51 4.11 1.45 7.55 0.00 -0.79 -1.97 105.19 116.05 3g6s n GLY 163 Ca 0.05 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3g6s n GLY 163 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3g6s n GLU 164 N 13.78 3.39 -2.28 1.61 0.28 -1.26 -4.29 120.64 131.86 3g6s n GLU 164 Ca 0.00 -2.79 -0.31 0.00 -0.16 0.00 0.00 57.16 53.90 3g6s n GLU 164 Cb 0.00 -1.77 -0.02 0.00 1.43 0.00 0.00 31.44 31.08 3g6s n GLU 164 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3g6s s ARG 165 N -1.58 3.82 0.14 3.44 0.52 -0.83 -4.97 118.95 119.49 3g6s s ARG 165 Ca 0.49 0.83 -0.34 0.00 -0.52 0.00 0.00 55.73 56.19 3g6s s ARG 165 Cb 0.30 -2.15 -0.17 0.00 0.52 0.00 0.00 34.95 33.45 3g6s s ARG 165 CO 0.26 -0.34 1.06 -2.30 0.02 0.00 0.00 175.30 174.01 3g6s n PRO 166 N -1.93 0.80 -3.80 3.54 -0.02 -1.26 -4.97 135.00 127.34 3g6s n PRO 166 Ca 0.06 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3g6s n PRO 166 Cb 0.54 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 3g6s n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6s s ALA 167 N -0.25 -0.57 -0.05 3.55 0.00 -1.26 -4.37 121.76 118.80 3g6s s ALA 167 Ca 0.75 0.46 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3g6s s ALA 167 Cb -0.94 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3g6s s ALA 167 CO 0.53 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 176.16 3g6s s VAL 168 N -0.41 0.64 -0.15 0.00 1.01 -1.26 -2.62 120.40 117.61 3g6s s VAL 168 Ca -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3g6s s VAL 168 Cb -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3g6s s VAL 168 CO 0.01 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.60 3g6s s VAL 169 N 0.97 3.50 0.25 2.92 1.01 0.13 -0.59 120.40 128.59 3g6s s VAL 169 Ca -0.10 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3g6s s VAL 169 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3g6s s VAL 169 CO 0.00 0.50 -0.05 0.42 0.00 0.00 0.00 175.10 175.97 3g6s s THR 170 N 0.47 1.39 0.00 3.92 -4.23 0.42 0.09 115.64 117.70 3g6s s THR 170 Ca -0.06 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 3g6s s THR 170 Cb -0.15 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3g6s s THR 170 CO 0.04 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3g6s n GLY 171 N -0.48 0.48 3.52 3.99 0.00 -1.15 -1.12 105.19 110.43 3g6s n GLY 171 Ca -0.06 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 3g6s n GLY 171 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g6s s ASP 172 N 0.00 5.58 0.00 1.61 -1.08 -1.05 -2.37 116.67 119.36 3g6s s ASP 172 Ca 0.00 -0.12 0.21 0.00 -0.52 0.00 0.00 52.55 52.12 3g6s s ASP 172 Cb 0.00 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.44 3g6s s ASP 172 CO 0.00 -0.05 1.04 0.49 0.52 0.00 0.00 175.17 177.17 3g6s n PHE 173 N 4.99 0.00 -2.57 -5.34 3.01 -0.57 -0.60 117.46 116.37 3g6s n PHE 173 Ca -0.15 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.13 3g6s n PHE 173 Cb 0.52 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3g6s n PHE 173 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3g6s n ASN 174 N 0.03 -5.15 -3.80 4.37 3.02 -1.22 -4.70 115.26 107.82 3g6s n ASN 174 Ca 0.09 -0.01 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 3g6s n ASN 174 Cb 0.44 -4.28 -0.04 0.00 -0.61 0.00 0.00 39.78 35.29 3g6s n ASN 174 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3g6s s VAL 175 N -2.92 0.02 0.15 2.41 -7.23 -1.26 -4.82 120.40 106.75 3g6s s VAL 175 Ca 0.07 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3g6s s VAL 175 Cb -0.03 -1.72 0.02 0.00 0.56 0.00 0.00 36.38 35.21 3g6s s VAL 175 CO 0.09 -0.10 0.20 0.35 -0.31 0.00 0.00 175.10 175.33 3g6s n THR 176 N -0.35 0.00 0.51 5.32 -2.24 -1.26 -4.08 114.28 112.18 3g6s n THR 176 Ca -0.08 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3g6s n THR 176 Cb 0.62 -0.90 0.44 0.00 -2.10 0.00 0.00 70.33 68.38 3g6s n THR 176 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3g6s n ASP 177 N -2.84 0.43 -0.13 3.42 5.75 -1.26 -2.36 116.55 119.57 3g6s n ASP 177 Ca 0.04 0.59 0.14 0.00 -0.01 0.00 0.00 54.79 55.55 3g6s n ASP 177 Cb 0.15 -0.69 0.59 0.00 -1.03 0.00 0.00 41.12 40.14 3g6s n ASP 177 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g6s n ALA 178 N -1.67 2.78 -1.72 2.12 0.00 -1.26 -4.71 120.51 116.06 3g6s n ALA 178 Ca 0.03 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 3g6s n ALA 178 Cb 0.25 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.54 3g6s n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g6s s SER 179 N -2.48 3.26 -0.02 0.00 1.04 -0.99 -4.99 113.70 109.51 3g6s s SER 179 Ca 0.28 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 3g6s s SER 179 Cb 0.20 -0.92 -0.27 0.00 0.10 0.00 0.00 66.02 65.13 3g6s s SER 179 CO 0.48 -2.67 0.76 -2.24 0.98 0.00 0.00 173.24 170.55 3g6s h ASP 180 N -1.59 0.33 -0.97 7.02 2.03 -1.90 -3.22 116.42 118.12 3g6s h ASP 180 Ca -0.46 -0.52 0.05 0.00 -0.73 0.00 0.00 57.03 55.37 3g6s h ASP 180 Cb 1.29 -0.11 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 3g6s h ASP 180 CO 0.50 1.44 0.63 0.00 -1.03 0.00 0.00 179.24 180.78 3g6s h ALA 181 N 0.51 1.41 -0.40 4.15 0.00 -1.92 0.26 119.26 123.26 3g6s h ALA 181 Ca -0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3g6s h ALA 181 Cb 2.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3g6s h ALA 181 CO 0.14 0.47 0.07 -0.92 0.00 0.00 0.00 179.25 179.01 3g6s h TYR 182 N 1.17 0.61 -0.01 0.00 5.03 -1.82 -2.49 116.97 119.46 3g6s h TYR 182 Ca 0.40 -0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.50 3g6s h TYR 182 Cb 0.09 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3g6s h TYR 182 CO -0.00 0.55 -0.76 1.49 -1.32 0.00 0.00 178.16 178.11 3g6s h GLU 183 N 0.58 0.08 -0.16 1.82 4.81 -0.70 -2.50 114.58 118.52 3g6s h GLU 183 Ca 0.13 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3g6s h GLU 183 Cb 0.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3g6s h GLU 183 CO 0.00 0.81 -0.39 1.79 -0.73 0.00 0.00 179.01 180.49 3g6s h THR 184 N 0.05 1.30 0.00 0.32 1.35 -0.20 0.19 112.91 115.92 3g6s h THR 184 Ca -0.02 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3g6s h THR 184 Cb 1.34 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3g6s h THR 184 CO 0.11 0.46 -0.74 2.30 -0.25 0.00 0.00 175.52 177.39 3g6s n ILE 185 N -4.04 0.21 -0.04 6.82 -5.35 -1.12 -3.49 119.36 112.34 3g6s n ILE 185 Ca -0.01 -0.20 -0.09 0.00 -0.27 0.00 0.00 62.75 62.18 3g6s n ILE 185 Cb 0.48 0.09 -0.14 0.00 -1.74 0.00 0.00 39.64 38.32 3g6s n ILE 185 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3g6s n THR 186 N -1.91 1.52 -1.76 7.28 -1.04 -0.94 -4.42 114.28 113.00 3g6s n THR 186 Ca 0.03 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.05 61.10 3g6s n THR 186 Cb 0.41 -0.85 0.11 0.00 -1.82 0.00 0.00 70.33 68.18 3g6s n THR 186 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3g6s n THR 187 N -2.95 2.53 -3.71 12.58 -2.24 0.64 -4.94 114.28 116.19 3g6s n THR 187 Ca -0.21 -3.62 -0.28 0.00 -2.27 0.00 0.00 64.05 57.66 3g6s n THR 187 Cb 1.08 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 3g6s n THR 187 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3g6s s ASN 188 N -3.20 6.40 0.48 3.42 3.84 -1.23 -4.96 114.94 119.69 3g6s s ASN 188 Ca 0.47 0.41 0.26 0.00 0.21 0.00 0.00 52.86 54.22 3g6s s ASN 188 Cb 0.41 -2.02 1.30 0.00 -0.55 0.00 0.00 41.25 40.39 3g6s s ASN 188 CO -0.00 -0.02 1.85 -0.08 -2.79 0.00 0.00 177.10 176.06 3g6s h GLU 189 N 2.18 0.19 -5.09 0.43 4.81 -1.96 -3.20 114.58 111.95 3g6s h GLU 189 Ca -0.47 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 3g6s h GLU 189 Cb 1.19 -0.04 -0.17 0.00 0.63 0.00 0.00 28.75 30.35 3g6s h GLU 189 CO 0.69 0.12 0.20 0.12 -0.73 0.00 0.00 179.01 179.41 3g6s s PHE 190 N -5.20 2.95 1.26 0.92 2.19 -1.26 -5.23 117.98 113.61 3g6s s PHE 190 Ca -0.07 -0.56 -0.18 0.00 0.33 0.00 0.00 56.93 56.45 3g6s s PHE 190 Cb 0.23 -3.82 0.31 0.00 -1.31 0.00 0.00 43.02 38.43 3g6s s PHE 190 CO 0.78 -1.22 1.01 0.08 1.83 0.00 0.00 175.22 177.71 3g6s s VAL 191 N 3.01 1.60 -0.04 3.12 1.01 -1.21 -4.94 120.40 122.95 3g6s s VAL 191 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3g6s s VAL 191 Cb -0.19 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.01 3g6s s VAL 191 CO 0.11 0.00 0.41 -0.54 0.00 0.00 0.00 175.10 175.09 3g6s s LYS 193 N -4.97 0.74 -0.46 2.72 -0.14 0.32 -4.20 119.74 113.76 3g6s s LYS 193 Ca 0.69 0.01 -0.24 0.00 -1.36 0.00 0.00 55.97 55.07 3g6s s LYS 193 Cb -0.16 0.34 0.03 0.00 -1.68 0.00 0.00 37.83 36.35 3g6s s LYS 193 CO 0.59 -0.20 0.86 0.34 -0.76 0.00 0.00 175.35 176.18 3g6s s ASP 194 N -1.11 6.45 0.50 2.83 -1.08 -1.26 -1.38 116.67 121.62 3g6s s ASP 194 Ca -0.11 -0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.16 3g6s s ASP 194 Cb -0.04 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.34 3g6s s ASP 194 CO 0.05 -1.00 1.89 0.00 0.52 0.00 0.00 175.17 176.64 3g6s h ALA 195 N 9.04 2.59 -0.16 3.66 0.00 -1.16 -1.03 119.26 132.19 3g6s h ALA 195 Ca -0.24 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3g6s h ALA 195 Cb 1.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3g6s h ALA 195 CO 1.00 -0.84 -0.53 -0.92 0.00 0.00 0.00 179.25 177.97 3g6s h TYR 196 N 0.13 0.59 0.00 0.00 3.20 -1.91 -2.24 116.97 116.74 3g6s h TYR 196 Ca 0.41 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3g6s h TYR 196 Cb 1.43 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3g6s h TYR 196 CO -0.00 0.90 -0.45 0.87 -1.64 0.00 0.00 178.16 177.83 3g6s h LYS 197 N 0.37 0.00 -0.01 1.82 6.56 -1.61 -3.35 116.57 120.35 3g6s h LYS 197 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3g6s h LYS 197 Cb 1.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3g6s h LYS 197 CO 0.09 0.00 -0.20 0.25 -2.06 0.00 0.00 179.45 177.54 3g6s n THR 198 N -2.26 0.00 -1.97 -0.16 -2.24 -0.83 -5.01 114.28 101.80 3g6s n THR 198 Ca 0.04 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 3g6s n THR 198 Cb 0.45 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3g6s n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g6s s ALA 199 N -1.42 3.53 0.16 6.98 0.00 -0.85 -4.76 121.76 125.41 3g6s s ALA 199 Ca 0.11 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.70 3g6s s ALA 199 Cb 0.10 -3.54 0.87 0.00 0.00 0.00 0.00 23.12 20.55 3g6s s ALA 199 CO 0.27 -0.83 1.81 0.00 0.00 0.00 0.00 175.76 177.01 3g6s h ALA 200 N 3.23 1.03 -3.33 0.00 0.00 -1.33 -3.43 119.26 115.43 3g6s h ALA 200 Ca -0.50 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 3g6s h ALA 200 Cb 1.23 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 3g6s h ALA 200 CO 0.65 0.33 -0.60 0.50 0.00 0.00 0.00 179.25 180.13 3g6s s ARG 201 N -3.68 0.10 -0.07 0.00 3.52 -1.05 -5.01 118.95 112.75 3g6s s ARG 201 Ca 0.00 0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.91 3g6s s ARG 201 Cb 0.11 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.41 3g6s s ARG 201 CO 0.65 -0.12 -0.11 0.08 -0.81 0.00 0.00 175.30 174.99 3g6s s VAL 202 N 0.82 1.06 0.10 7.11 1.01 -1.26 -0.54 120.40 128.70 3g6s s VAL 202 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3g6s s VAL 202 Cb -0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3g6s s VAL 202 CO -0.04 0.35 -0.10 0.42 0.00 0.00 0.00 175.10 175.73 3g6s s THR 203 N 0.89 0.93 0.00 3.92 -4.23 0.01 -4.98 115.64 112.18 3g6s s THR 203 Ca -0.10 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3g6s s THR 203 Cb -0.15 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.28 3g6s s THR 203 CO 0.01 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 3g6s n GLY 204 N 0.46 -1.69 3.94 3.99 0.00 -1.26 -1.60 105.19 109.04 3g6s n GLY 204 Ca -0.15 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 3g6s n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g6s s VAL 205 N 0.00 3.03 -0.87 1.61 -7.23 0.67 -4.86 120.40 112.75 3g6s s VAL 205 Ca 0.00 -0.37 0.15 0.00 -1.81 0.00 0.00 61.98 59.95 3g6s s VAL 205 Cb 0.00 -3.19 0.48 0.00 0.56 0.00 0.00 36.38 34.23 3g6s s VAL 205 CO 0.00 -0.17 1.40 -0.90 -0.31 0.00 0.00 175.10 175.12 3g6s n ASP 206 N -2.51 3.67 -4.31 4.85 5.68 -1.26 -4.45 116.55 118.22 3g6s n ASP 206 Ca 0.06 -2.35 -0.21 0.00 -0.50 0.00 0.00 54.79 51.79 3g6s n ASP 206 Cb 0.59 -0.41 -0.11 0.00 -1.14 0.00 0.00 41.12 40.05 3g6s n ASP 206 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3g6s s TYR 207 N -1.64 1.71 0.00 2.11 1.13 -1.26 -4.42 117.35 114.98 3g6s s TYR 207 Ca 0.36 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.53 3g6s s TYR 207 Cb 0.23 -0.86 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 3g6s s TYR 207 CO 0.17 0.29 0.32 -2.37 -2.51 0.00 0.00 175.55 171.45 3g6s n THR 208 N 0.32 0.00 -4.24 -3.49 5.66 -0.76 -4.81 114.28 106.96 3g6s n THR 208 Ca -0.13 -0.47 -0.22 0.00 -3.05 0.00 0.00 64.05 60.17 3g6s n THR 208 Cb 0.57 1.04 -0.17 0.00 -1.55 0.00 0.00 70.33 70.23 3g6s n THR 208 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3g6s s PHE 209 N -0.29 1.04 0.00 1.09 5.36 -1.07 -0.30 117.98 123.81 3g6s s PHE 209 Ca 0.00 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 3g6s s PHE 209 Cb 0.00 -0.86 0.00 0.00 -0.34 0.00 0.00 43.02 41.82 3g6s s PHE 209 CO 0.00 -0.26 0.13 -2.39 -1.46 0.00 0.00 175.22 171.24 3g6s n HIS 210 N 4.15 0.00 -3.68 10.12 1.44 -0.86 -4.09 115.22 122.30 3g6s n HIS 210 Ca -0.22 -0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.28 3g6s n HIS 210 Cb 0.51 -0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.65 3g6s n HIS 210 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 3g6s n ASP 211 N -0.00 -1.43 -2.70 4.39 2.03 -1.08 -1.54 116.55 116.21 3g6s n ASP 211 Ca 0.00 -0.82 -0.14 0.00 0.52 0.00 0.00 54.79 54.35 3g6s n ASP 211 Cb 0.20 -4.08 0.06 0.00 -0.72 0.00 0.00 41.12 36.58 3g6s n ASP 211 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3g6s n PHE 212 N -4.24 -1.72 -2.23 -0.67 3.72 -1.26 -3.06 117.46 108.00 3g6s n PHE 212 Ca -0.29 0.68 -0.18 0.00 -0.05 0.00 0.00 57.45 57.62 3g6s n PHE 212 Cb 0.67 -4.06 -0.02 0.00 -0.94 0.00 0.00 39.48 35.13 3g6s n PHE 212 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g6s n ALA 213 N -3.59 -0.59 0.68 4.37 0.00 -1.04 -4.85 120.51 115.50 3g6s n ALA 213 Ca -0.13 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3g6s n ALA 213 Cb 0.59 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 3g6s n ALA 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g6s n ARG 214 N -2.78 0.21 -3.94 0.00 1.74 -0.59 -4.87 116.66 106.43 3g6s n ARG 214 Ca -0.20 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.48 3g6s n ARG 214 Cb 0.64 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 3g6s n ARG 214 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g6s s ILE 215 N -3.16 4.95 0.35 0.55 1.01 -0.75 -5.05 121.20 119.10 3g6s s ILE 215 Ca 0.04 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3g6s s ILE 215 Cb 0.15 -3.23 -0.11 0.00 0.01 0.00 0.00 42.46 39.28 3g6s s ILE 215 CO 0.86 0.46 1.53 -0.81 0.00 0.00 0.00 174.94 176.97 3g6s n PRO 216 N 3.49 2.68 -0.29 2.79 -0.04 -1.26 -4.83 135.00 137.54 3g6s n PRO 216 Ca -0.16 0.94 0.02 0.00 -0.04 0.00 0.00 63.50 64.26 3g6s n PRO 216 Cb 0.52 -2.69 0.09 0.00 -0.04 0.00 0.00 33.50 31.38 3g6s n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g6s h ALA 217 N 3.63 0.46 -0.23 0.55 0.00 -1.97 0.11 119.26 121.82 3g6s h ALA 217 Ca -0.49 0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3g6s h ALA 217 Cb 1.24 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3g6s h ALA 217 CO 0.70 -0.44 0.26 1.05 0.00 0.00 0.00 179.25 180.81 3g6s h GLU 218 N -0.02 0.00 -0.44 0.00 9.09 -2.03 -0.72 114.58 120.46 3g6s h GLU 218 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 3g6s h GLU 218 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3g6s h GLU 218 CO -0.84 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 177.97 3g6s n ASP 219 N -3.77 3.55 -4.82 3.06 8.00 0.38 -4.97 116.55 117.98 3g6s n ASP 219 Ca 0.03 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 3g6s n ASP 219 Cb 0.39 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 3g6s n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6s s GLU 221 N -2.70 1.86 -0.35 0.00 2.02 -1.26 -4.83 118.70 113.45 3g6s s GLU 221 Ca 0.54 -1.80 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 3g6s s GLU 221 Cb -0.13 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3g6s s GLU 221 CO 0.18 0.22 0.20 0.21 0.02 0.00 0.00 175.26 176.09 3g6s s LYS 222 N -3.60 3.17 0.00 1.61 2.20 -1.26 -1.83 119.74 120.03 3g6s s LYS 222 Ca 0.32 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 3g6s s LYS 222 Cb -0.01 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3g6s s LYS 222 CO 0.17 -0.55 0.60 0.44 -0.36 0.00 0.00 175.35 175.65 3g6s n ILE 223 N 5.03 0.25 -4.64 5.43 -5.35 -1.26 -4.20 119.36 114.62 3g6s n ILE 223 Ca -0.13 -0.59 -0.33 0.00 -0.27 0.00 0.00 62.75 61.43 3g6s n ILE 223 Cb 0.48 0.92 -0.12 0.00 -1.74 0.00 0.00 39.64 39.18 3g6s n ILE 223 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3g6s s ASP 224 N -0.25 4.45 0.09 7.28 1.11 -1.26 -1.51 116.67 126.57 3g6s s ASP 224 Ca 0.00 -0.15 0.01 0.00 0.18 0.00 0.00 52.55 52.59 3g6s s ASP 224 Cb 0.00 -1.40 -0.04 0.00 1.07 0.00 0.00 42.92 42.55 3g6s s ASP 224 CO 0.00 0.26 -0.04 -0.36 1.18 0.00 0.00 175.17 176.21 3g6s s PHE 225 N -0.20 0.81 -0.20 4.23 0.08 -1.00 -5.00 117.98 116.70 3g6s s PHE 225 Ca 0.02 -0.99 0.01 0.00 0.12 0.00 0.00 56.93 56.09 3g6s s PHE 225 Cb -0.13 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.87 3g6s s PHE 225 CO 0.03 -0.25 -0.10 0.42 -0.10 0.00 0.00 175.22 175.22 3g6s s ILE 226 N -3.74 1.63 -0.06 0.64 1.01 -1.26 -2.94 121.20 116.47 3g6s s ILE 226 Ca 0.12 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3g6s s ILE 226 Cb 0.06 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3g6s s ILE 226 CO -0.05 0.18 -0.06 -0.36 0.00 0.00 0.00 174.94 174.65 3g6s s PHE 227 N 1.40 2.96 0.04 3.97 0.08 0.11 -0.52 117.98 126.04 3g6s s PHE 227 Ca -0.01 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.11 3g6s s PHE 227 Cb -0.16 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3g6s s PHE 227 CO -0.08 0.35 -0.08 0.14 -0.10 0.00 0.00 175.22 175.45 3g6s s VAL 228 N -0.84 0.57 0.59 -0.44 -7.23 -0.48 -0.69 120.40 111.89 3g6s s VAL 228 Ca 0.13 -1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 59.02 3g6s s VAL 228 Cb -0.11 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 3g6s s VAL 228 CO 0.02 -0.38 1.16 0.42 -0.31 0.00 0.00 175.10 176.01 3g6s s THR 229 N -1.40 2.95 0.63 5.32 -4.23 -1.08 -0.52 115.64 117.30 3g6s s THR 229 Ca -0.09 0.55 0.23 0.00 -1.18 0.00 0.00 61.69 61.20 3g6s s THR 229 Cb -0.10 -3.17 0.30 0.00 1.34 0.00 0.00 72.50 70.87 3g6s s THR 229 CO 0.00 -0.17 1.58 1.55 -0.54 0.00 0.00 174.62 177.05 3g6s h PRO 230 N 0.77 0.00 0.00 3.99 0.13 -1.95 -2.16 132.00 132.78 3g6s h PRO 230 Ca -0.49 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 3g6s h PRO 230 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3g6s h PRO 230 CO 0.55 0.00 -0.96 -0.56 -0.23 0.00 0.00 178.00 176.80 3g6s h GLN 231 N 0.00 0.43 -6.92 0.86 3.07 -1.94 -3.46 115.11 107.16 3g6s h GLN 231 Ca 0.20 -0.47 -0.52 0.00 0.09 0.00 0.00 58.65 57.95 3g6s h GLN 231 Cb 1.67 0.14 0.06 0.00 0.08 0.00 0.00 27.48 29.42 3g6s h GLN 231 CO -0.00 1.13 0.56 0.54 0.09 0.00 0.00 178.83 181.15 3g6s s VAL 232 N -3.26 2.91 -0.26 1.86 0.11 -0.81 -4.24 120.40 116.71 3g6s s VAL 232 Ca -0.06 0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 59.71 3g6s s VAL 232 Cb 0.09 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.39 3g6s s VAL 232 CO 0.87 0.13 0.18 -0.22 -3.33 0.00 0.00 175.10 172.73 3g6s s LEU 233 N -2.23 4.07 -0.72 2.54 2.96 0.38 -4.94 118.68 120.74 3g6s s LEU 233 Ca 0.54 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 3g6s s LEU 233 Cb -0.35 -2.12 0.14 0.00 0.50 0.00 0.00 46.19 44.36 3g6s s LEU 233 CO 0.45 0.01 0.79 -0.69 -1.32 0.00 0.00 176.35 175.59 3g6s s VAL 234 N 1.41 5.03 0.06 1.68 1.01 -1.26 -1.25 120.40 127.08 3g6s s VAL 234 Ca 0.07 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.30 3g6s s VAL 234 Cb -0.15 -4.53 -0.14 0.00 0.00 0.00 0.00 36.38 31.56 3g6s s VAL 234 CO 0.08 -1.16 1.58 0.11 0.00 0.00 0.00 175.10 175.71 3g6s h LYS 235 N 8.74 0.13 -2.94 2.72 1.57 -1.47 -2.57 116.57 122.74 3g6s h LYS 235 Ca -0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3g6s h LYS 235 Cb 1.06 -0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.24 3g6s h LYS 235 CO 1.01 0.27 0.23 -1.54 -0.57 0.00 0.00 179.45 178.85 3g6s s SER 236 N -5.49 -0.53 0.02 0.86 1.04 -1.20 -2.53 113.70 105.86 3g6s s SER 236 Ca -0.14 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.28 3g6s s SER 236 Cb 0.06 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3g6s s SER 236 CO 0.68 -0.96 -0.07 0.00 0.98 0.00 0.00 173.24 173.87 3g6s s GLU 238 N -0.74 0.17 -0.37 0.00 2.12 -0.85 -0.81 118.70 118.21 3g6s s GLU 238 Ca -0.02 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.52 3g6s s GLU 238 Cb -0.05 0.07 0.12 0.00 0.26 0.00 0.00 34.13 34.53 3g6s s GLU 238 CO 0.00 -0.02 0.16 0.42 -0.54 0.00 0.00 175.26 175.28 3g6s s ILE 239 N 0.11 1.19 0.29 -3.70 1.01 -0.63 -0.46 121.20 119.01 3g6s s ILE 239 Ca -0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 3g6s s ILE 239 Cb -0.01 -1.87 -0.11 0.00 0.01 0.00 0.00 42.46 40.48 3g6s s ILE 239 CO -0.00 -0.78 1.52 -2.16 0.00 0.00 0.00 174.94 173.52 3g6s s PRO 240 N 0.99 4.18 0.45 2.79 0.04 -1.26 -0.24 135.00 141.95 3g6s s PRO 240 Ca 0.14 2.47 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 3g6s s PRO 240 Cb -0.21 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 3g6s s PRO 240 CO -0.12 -0.53 1.26 0.00 0.04 0.00 0.00 177.00 177.66 3g6s s ALA 241 N -0.16 3.08 0.66 8.56 0.00 -1.26 -4.74 121.76 127.90 3g6s s ALA 241 Ca 0.60 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 53.56 3g6s s ALA 241 Cb -0.45 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3g6s s ALA 241 CO 0.48 -0.86 1.11 -1.83 0.00 0.00 0.00 175.76 174.65 3g6s s GLU 242 N -2.51 2.80 -0.25 0.00 1.03 -1.26 -5.02 118.70 113.48 3g6s s GLU 242 Ca 0.62 1.36 0.00 0.00 0.03 0.00 0.00 54.97 56.98 3g6s s GLU 242 Cb -0.35 -1.95 0.04 0.00 -0.80 0.00 0.00 34.13 31.07 3g6s s GLU 242 CO 0.44 -1.25 -0.09 0.08 -1.33 0.00 0.00 175.26 173.11 3g6s s VAL 243 N -2.39 2.51 0.50 1.83 1.01 -1.26 -5.01 120.40 117.60 3g6s s VAL 243 Ca 0.66 -1.30 0.32 0.00 0.00 0.00 0.00 61.98 61.66 3g6s s VAL 243 Cb -0.20 -2.35 0.51 0.00 0.00 0.00 0.00 36.38 34.34 3g6s s VAL 243 CO 0.42 0.11 1.78 -0.65 0.00 0.00 0.00 175.10 176.76 3g6s h PRO 244 N 7.91 0.10 0.00 2.72 0.11 -1.96 -1.44 132.00 139.44 3g6s h PRO 244 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g6s h PRO 244 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3g6s h PRO 244 CO 0.53 0.07 -0.08 0.93 -0.21 0.00 0.00 178.00 179.24 3g6s h GLU 245 N 0.10 0.00 -2.67 1.05 3.07 -2.01 -3.39 114.58 110.73 3g6s h GLU 245 Ca 0.59 0.00 -0.79 0.00 -0.50 0.00 0.00 59.36 58.66 3g6s h GLU 245 Cb 2.13 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 29.80 3g6s h GLU 245 CO -0.10 0.00 1.29 0.00 -1.40 0.00 0.00 179.01 178.80 3g6s n ALA 246 N -2.70 5.82 -2.04 3.43 0.00 -1.09 -5.02 120.51 118.92 3g6s n ALA 246 Ca -0.01 -4.56 -0.42 0.00 0.00 0.00 0.00 53.44 48.45 3g6s n ALA 246 Cb 0.04 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 3g6s n ALA 246 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3g6s s LEU 247 N -3.00 4.40 -0.09 0.00 2.96 -0.56 -4.50 118.68 117.88 3g6s s LEU 247 Ca 0.39 2.41 -0.04 0.00 -0.22 0.00 0.00 54.13 56.67 3g6s s LEU 247 Cb 0.13 -3.60 -0.26 0.00 0.50 0.00 0.00 46.19 42.96 3g6s s LEU 247 CO -0.03 -0.59 0.47 -0.07 -1.32 0.00 0.00 176.35 174.82 3g6s h LEU 248 N 5.77 0.36 -7.76 -0.68 4.07 -1.91 -3.45 115.31 111.72 3g6s h LEU 248 Ca -0.44 -0.77 0.22 0.00 0.08 0.00 0.00 57.88 56.96 3g6s h LEU 248 Cb 1.21 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 3g6s h LEU 248 CO 0.80 1.69 0.64 -0.55 -1.08 0.00 0.00 178.44 179.94 3g6s s SER 249 N -6.90 -0.05 0.01 -0.43 0.15 -1.26 -4.86 113.70 100.36 3g6s s SER 249 Ca -0.18 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.27 3g6s s SER 249 Cb 0.07 0.40 1.10 0.00 -1.71 0.00 0.00 66.02 65.87 3g6s s SER 249 CO 0.79 -0.77 1.83 -0.90 1.20 0.00 0.00 173.24 175.40 3g6s n ASP 250 N -0.90 0.05 -4.74 5.45 5.68 -1.26 -4.50 116.55 116.32 3g6s n ASP 250 Ca -0.04 0.51 -0.23 0.00 -0.50 0.00 0.00 54.79 54.53 3g6s n ASP 250 Cb 0.60 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 40.00 3g6s n ASP 250 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3g6s s HIS 251 N -3.01 2.82 -0.14 2.11 3.76 -1.26 -2.03 115.29 117.55 3g6s s HIS 251 Ca 0.12 -0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 3g6s s HIS 251 Cb 0.17 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 32.36 3g6s s HIS 251 CO 0.48 0.45 -0.05 -0.80 -0.85 0.00 0.00 174.74 173.96 3g6s s ASN 252 N -3.81 4.68 0.62 1.40 0.01 0.58 -4.90 114.94 113.52 3g6s s ASN 252 Ca 0.35 -0.13 -0.16 0.00 -0.71 0.00 0.00 52.86 52.22 3g6s s ASN 252 Cb -0.05 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.94 3g6s s ASN 252 CO 0.23 0.21 1.08 -2.16 -1.51 0.00 0.00 177.10 174.95 3g6s s PRO 253 N 0.12 3.09 -0.25 -0.60 0.04 -1.26 -4.80 135.00 131.33 3g6s s PRO 253 Ca -0.02 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3g6s s PRO 253 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3g6s s PRO 253 CO 0.03 -1.01 -0.11 -1.14 0.04 0.00 0.00 177.00 174.81 3g6s s GLN 254 N -4.05 2.34 0.32 4.56 0.74 -0.83 -4.14 119.66 118.59 3g6s s GLN 254 Ca 0.65 -1.29 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 3g6s s GLN 254 Cb -0.18 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 3g6s s GLN 254 CO 0.39 -0.53 0.59 -0.51 -0.55 0.00 0.00 175.29 174.67 3g6s s LEU 255 N 1.13 4.01 -0.18 3.68 1.43 0.39 -2.63 118.68 126.50 3g6s s LEU 255 Ca -0.07 0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3g6s s LEU 255 Cb -0.19 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.52 3g6s s LEU 255 CO -0.06 -0.25 0.39 0.00 0.23 0.00 0.00 176.35 176.67 3g6s s ALA 256 N -2.17 -1.03 -0.42 4.21 0.00 0.01 -2.01 121.76 120.35 3g6s s ALA 256 Ca 0.45 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.58 3g6s s ALA 256 Cb -0.11 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.81 3g6s s ALA 256 CO 0.31 -0.68 0.73 -0.51 0.00 0.00 0.00 175.76 175.61 3g6s s ASP 257 N 2.44 6.42 0.36 0.00 1.01 0.22 -0.77 116.67 126.35 3g6s s ASP 257 Ca -0.02 -0.04 0.08 0.00 0.71 0.00 0.00 52.55 53.28 3g6s s ASP 257 Cb -0.12 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3g6s s ASP 257 CO -0.12 -0.80 0.20 -0.76 0.21 0.00 0.00 175.17 173.90 3g6s s LEU 258 N 3.06 3.32 -0.10 1.23 1.43 -0.54 -1.11 118.68 125.97 3g6s s LEU 258 Ca 0.28 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3g6s s LEU 258 Cb -0.13 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.32 3g6s s LEU 258 CO 0.20 -0.38 0.18 -0.70 0.23 0.00 0.00 176.35 175.87 3g6s s GLU 259 N -3.91 0.06 0.05 1.70 2.12 -0.38 -2.20 118.70 116.14 3g6s s GLU 259 Ca 0.40 0.54 -0.22 0.00 0.36 0.00 0.00 54.97 56.05 3g6s s GLU 259 Cb -0.02 -0.35 -0.06 0.00 0.26 0.00 0.00 34.13 33.95 3g6s s GLU 259 CO 0.24 -0.34 0.67 -0.51 -0.54 0.00 0.00 175.26 174.78 3g6s s LEU 260 N 2.31 4.48 0.00 2.70 1.02 -0.25 -0.47 118.68 128.47 3g6s s LEU 260 Ca 0.03 1.35 0.00 0.00 0.02 0.00 0.00 54.13 55.53 3g6s s LEU 260 Cb -0.12 -3.07 0.00 0.00 0.02 0.00 0.00 46.19 43.02 3g6s s LEU 260 CO -0.07 0.13 0.45 -0.62 0.02 0.00 0.00 176.35 176.26