#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfu n ARG 11 N 0.00 2.45 -1.95 1.57 3.00 -1.26 -5.03 116.66 115.44 3gfu n ARG 11 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 3gfu n ARG 11 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 3gfu n ARG 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3gfu s GLN 12 N -1.69 4.20 -0.10 -0.14 0.74 -1.26 -4.90 119.66 116.51 3gfu s GLN 12 Ca 0.00 2.29 -0.26 0.00 0.05 0.00 0.00 55.36 57.44 3gfu s GLN 12 Cb 0.00 -3.65 -0.28 0.00 1.10 0.00 0.00 33.01 30.18 3gfu s GLN 12 CO 0.00 -0.74 0.83 1.57 -0.55 0.00 0.00 175.29 176.40 3gfu h LYS 13 N 8.46 0.13 -6.37 1.67 5.09 -1.96 -3.42 116.57 120.17 3gfu h LYS 13 Ca -0.42 -0.22 -0.61 0.00 0.09 0.00 0.00 60.65 59.49 3gfu h LYS 13 Cb 1.20 0.08 -0.13 0.00 0.10 0.00 0.00 32.23 33.48 3gfu h LYS 13 CO 0.93 1.10 -0.71 -1.58 -2.09 0.00 0.00 179.45 177.10 3gfu s TRP 14 N -2.32 2.61 -0.09 0.07 0.52 -1.26 -0.40 118.94 118.07 3gfu s TRP 14 Ca -0.17 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.72 3gfu s TRP 14 Cb -0.01 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.09 3gfu s TRP 14 CO 0.75 0.55 -0.06 -2.00 0.02 0.00 0.00 176.95 176.21 3gfu s GLU 15 N -3.08 1.27 -0.02 4.98 2.12 0.11 -4.83 118.70 119.24 3gfu s GLU 15 Ca 0.27 -0.18 0.06 0.00 0.36 0.00 0.00 54.97 55.48 3gfu s GLU 15 Cb -0.08 -1.33 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 3gfu s GLU 15 CO 0.16 -0.21 -0.20 -1.58 -0.54 0.00 0.00 175.26 172.89 3gfu s TRP 16 N 1.51 1.80 -0.06 5.30 0.52 -1.26 -1.68 118.94 125.07 3gfu s TRP 16 Ca 0.00 -0.36 -0.24 0.00 0.02 0.00 0.00 56.10 55.52 3gfu s TRP 16 Cb -0.13 -1.17 0.05 0.00 -1.15 0.00 0.00 33.47 31.07 3gfu s TRP 16 CO -0.05 -0.05 0.53 -1.59 0.02 0.00 0.00 176.95 175.82 3gfu s LYS 17 N -0.42 0.86 0.39 4.98 -2.85 -0.80 -5.00 119.74 116.91 3gfu s LYS 17 Ca 0.06 0.18 -0.04 0.00 -1.00 0.00 0.00 55.97 55.17 3gfu s LYS 17 Cb -0.08 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3gfu s LYS 17 CO -0.00 -0.24 0.67 0.14 0.10 0.00 0.00 175.35 176.02 3gfu s VAL 18 N -1.01 4.97 0.68 1.79 -7.23 -1.26 -1.14 120.40 117.20 3gfu s VAL 18 Ca -0.10 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 3gfu s VAL 18 Cb -0.02 -3.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.10 3gfu s VAL 18 CO 0.07 -0.61 1.05 -0.83 -0.31 0.00 0.00 175.10 174.47 3gfu s GLY 19 N -3.74 1.66 -0.05 2.32 0.00 -0.18 -4.93 107.32 102.41 3gfu s GLY 19 Ca 0.45 -0.04 0.13 0.00 0.00 0.00 0.00 44.72 45.27 3gfu s GLY 19 CO 0.37 0.27 1.11 -1.30 0.00 0.00 0.00 173.10 173.55 3gfu n THR 20 N -3.00 0.57 -0.42 0.90 -2.24 -1.26 -4.84 114.28 103.98 3gfu n THR 20 Ca 0.07 -1.12 0.07 0.00 -2.27 0.00 0.00 64.05 60.79 3gfu n THR 20 Cb 0.54 0.47 0.20 0.00 -2.10 0.00 0.00 70.33 69.44 3gfu n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gfu n GLY 21 N -0.18 3.10 2.50 3.38 0.00 -1.26 -4.77 105.19 107.97 3gfu n GLY 21 Ca 0.07 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3gfu n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfu n LEU 22 N 0.30 7.98 0.00 0.99 4.32 -1.26 -4.82 117.00 124.51 3gfu n LEU 22 Ca 0.15 -4.77 -0.01 0.00 -0.02 0.00 0.00 56.01 51.35 3gfu n LEU 22 Cb 0.58 -1.41 0.01 0.00 -1.62 0.00 0.00 43.42 40.98 3gfu n LEU 22 CO 0.11 1.97 0.12 -0.46 -1.22 0.00 0.00 177.39 177.91 3gfu n ASN 23 N 2.31 -0.42 -3.71 -1.43 0.23 -1.26 -5.01 115.26 105.97 3gfu n ASN 23 Ca 0.62 -1.28 -0.24 0.00 -0.53 0.00 0.00 54.58 53.16 3gfu n ASN 23 Cb 0.26 0.70 0.05 0.00 -2.08 0.00 0.00 39.78 38.70 3gfu n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gfu n GLY 24 N -0.12 -0.40 0.00 4.83 0.00 -1.26 -5.19 105.19 103.05 3gfu n GLY 24 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gfu n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gfu n PHE 25 N -4.49 0.00 0.10 1.61 3.01 -1.26 -5.19 117.46 111.24 3gfu n PHE 25 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3gfu n PHE 25 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 3gfu n PHE 25 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3gfu n VAL 28 N -0.64 0.00 0.00 -4.37 0.31 -1.26 -5.25 118.33 107.12 3gfu n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gfu n VAL 28 Cb 0.00 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3gfu n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gfu n LEU 29 N -3.12 0.00 -1.62 7.52 -0.00 -1.26 -5.03 117.00 113.49 3gfu n LEU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3gfu n LEU 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3gfu n LEU 29 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.86 3gfu n ASP 31 N 0.00 -0.50 -4.76 1.45 8.00 -1.26 -4.75 116.55 114.74 3gfu n ASP 31 Ca 0.00 0.25 -0.39 0.00 0.71 0.00 0.00 54.79 55.36 3gfu n ASP 31 Cb 0.00 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.47 3gfu n ASP 31 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gfu s LEU 32 N -3.12 3.99 0.30 0.64 1.43 -1.26 -4.70 118.68 115.95 3gfu s LEU 32 Ca 0.00 2.73 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 3gfu s LEU 32 Cb 0.00 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 3gfu s LEU 32 CO 0.00 -1.29 0.29 0.42 0.23 0.00 0.00 176.35 176.00 3gfu s THR 33 N -1.30 0.00 -1.16 5.49 -4.23 -0.23 -4.84 115.64 109.37 3gfu s THR 33 Ca 0.66 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 59.20 3gfu s THR 33 Cb -0.39 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3gfu s THR 33 CO 0.48 0.00 0.86 0.59 -0.54 0.00 0.00 174.62 176.02 3gfu n ASN 34 N -1.23 -4.13 -3.04 3.99 4.13 -1.26 -1.43 115.26 112.29 3gfu n ASN 34 Ca 0.05 -0.77 -0.21 0.00 1.68 0.00 0.00 54.58 55.33 3gfu n ASN 34 Cb 0.63 -4.61 0.06 0.00 -1.54 0.00 0.00 39.78 34.32 3gfu n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gfu n GLY 35 N -1.37 -0.38 2.18 7.41 0.00 -1.26 -2.27 105.19 109.51 3gfu n GLY 35 Ca -0.18 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 3gfu n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfu n GLY 36 N -1.70 0.43 0.00 -0.02 0.00 -1.12 -4.68 105.19 98.10 3gfu n GLY 36 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3gfu n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gfu n THR 37 N -3.50 0.00 -5.08 2.61 -2.24 -0.59 -1.49 114.28 104.00 3gfu n THR 37 Ca -0.09 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 3gfu n THR 37 Cb 0.44 0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 3gfu n THR 37 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gfu s LYS 38 N -1.85 1.78 -0.12 -0.78 -0.14 -0.52 -0.32 119.74 117.79 3gfu s LYS 38 Ca -0.00 -0.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.76 3gfu s LYS 38 Cb 0.01 -1.72 0.06 0.00 -1.68 0.00 0.00 37.83 34.50 3gfu s LYS 38 CO 0.09 0.47 0.26 -1.17 -0.76 0.00 0.00 175.35 174.24 3gfu s LEU 39 N -0.54 -0.10 -0.21 3.17 2.96 -0.58 -1.06 118.68 122.32 3gfu s LEU 39 Ca 0.08 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3gfu s LEU 39 Cb -0.08 0.70 -0.01 0.00 0.50 0.00 0.00 46.19 47.30 3gfu s LEU 39 CO -0.01 -0.22 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.85 3gfu s THR 40 N 2.09 3.25 -0.24 3.68 2.01 -1.26 0.34 115.64 125.51 3gfu s THR 40 Ca -0.02 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 3gfu s THR 40 Cb -0.12 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3gfu s THR 40 CO -0.08 0.44 0.06 -0.63 -0.69 0.00 0.00 174.62 173.72 3gfu s ILE 41 N 1.43 4.31 -0.37 1.82 1.01 0.89 -4.97 121.20 125.32 3gfu s ILE 41 Ca 0.05 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 3gfu s ILE 41 Cb -0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.32 3gfu s ILE 41 CO -0.04 0.35 0.41 -0.89 0.00 0.00 0.00 174.94 174.77 3gfu s THR 42 N 1.49 5.12 0.16 2.92 2.01 -1.26 -0.58 115.64 125.50 3gfu s THR 42 Ca 0.06 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3gfu s THR 42 Cb -0.15 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 3gfu s THR 42 CO 0.03 -0.24 0.99 -0.69 -0.69 0.00 0.00 174.62 174.02 3gfu s VAL 43 N 2.10 4.23 -0.09 3.82 1.01 -0.71 -4.90 120.40 125.87 3gfu s VAL 43 Ca 0.13 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 64.06 3gfu s VAL 43 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3gfu s VAL 43 CO 0.13 0.36 -0.01 0.42 0.00 0.00 0.00 175.10 175.99 3gfu s THR 44 N -0.40 4.17 0.00 3.92 -4.23 -1.26 -0.13 115.64 117.70 3gfu s THR 44 Ca 0.46 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3gfu s THR 44 Cb -0.25 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3gfu s THR 44 CO 0.32 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.59 3gfu n GLY 45 N 2.37 -1.66 3.51 3.99 0.00 -1.26 -4.85 105.19 107.30 3gfu n GLY 45 Ca -0.18 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 3gfu n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gfu s ASN 46 N -4.11 6.13 -0.39 1.61 0.01 -1.26 -2.47 114.94 114.46 3gfu s ASN 46 Ca 0.00 -0.49 -0.15 0.00 -0.71 0.00 0.00 52.86 51.51 3gfu s ASN 46 Cb 0.00 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.50 3gfu s ASN 46 CO 0.00 -0.36 0.32 -0.54 -1.51 0.00 0.00 177.10 175.01 3gfu s LYS 47 N 1.87 3.17 0.41 -0.60 -0.14 0.13 -4.94 119.74 119.64 3gfu s LYS 47 Ca 0.08 -0.83 -0.25 0.00 -1.36 0.00 0.00 55.97 53.61 3gfu s LYS 47 Cb -0.17 -3.92 -0.08 0.00 -1.68 0.00 0.00 37.83 31.97 3gfu s LYS 47 CO 0.11 -0.68 1.24 -1.25 -0.76 0.00 0.00 175.35 174.01 3gfu s PRO 48 N 1.80 3.95 -0.22 -1.68 0.04 -1.26 0.14 135.00 137.77 3gfu s PRO 48 Ca 0.07 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3gfu s PRO 48 Cb -0.18 -2.68 -0.11 0.00 0.04 0.00 0.00 34.50 31.58 3gfu s PRO 48 CO 0.11 -0.45 -0.27 -0.89 0.04 0.00 0.00 177.00 175.54 3gfu n ILE 49 N 0.01 1.22 -3.74 0.56 5.41 0.11 -3.69 119.36 119.24 3gfu n ILE 49 Ca 0.04 -0.35 -0.13 0.00 1.00 0.00 0.00 62.75 63.32 3gfu n ILE 49 Cb 0.45 -1.68 -0.13 0.00 -0.71 0.00 0.00 39.64 37.57 3gfu n ILE 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3gfu s LEU 50 N -7.00 0.62 -0.02 1.39 2.96 -0.49 -1.01 118.68 115.13 3gfu s LEU 50 Ca -0.31 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3gfu s LEU 50 Cb 0.11 0.63 -0.01 0.00 0.50 0.00 0.00 46.19 47.42 3gfu s LEU 50 CO 0.41 -0.15 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.39 3gfu s LEU 51 N 1.05 1.99 -0.01 -0.68 1.43 -0.29 -1.39 118.68 120.78 3gfu s LEU 51 Ca -0.08 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3gfu s LEU 51 Cb -0.09 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3gfu s LEU 51 CO -0.06 0.17 -0.10 -0.83 0.23 0.00 0.00 176.35 175.76 3gfu s GLY 52 N -0.24 0.51 -0.08 -3.19 0.00 0.13 -1.90 107.32 102.55 3gfu s GLY 52 Ca 0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 3gfu s GLY 52 CO -0.00 -0.34 0.35 1.09 0.00 0.00 0.00 173.10 174.20 3gfu s ARG 53 N -0.19 0.54 0.47 2.90 1.70 -0.67 -0.18 118.95 123.53 3gfu s ARG 53 Ca 0.03 0.20 -0.23 0.00 -0.47 0.00 0.00 55.73 55.26 3gfu s ARG 53 Cb -0.05 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 3gfu s ARG 53 CO -0.00 -0.11 1.25 0.95 -1.08 0.00 0.00 175.30 176.31 3gfu s THR 54 N -0.49 2.69 -0.57 4.99 -4.23 -0.18 -0.71 115.64 117.14 3gfu s THR 54 Ca -0.06 0.54 0.23 0.00 -1.18 0.00 0.00 61.69 61.22 3gfu s THR 54 Cb -0.04 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 3gfu s THR 54 CO 0.02 0.01 1.11 0.29 -0.54 0.00 0.00 174.62 175.52 3gfu n LYS 55 N -0.53 0.33 -3.81 3.99 5.02 0.46 -4.85 118.16 118.78 3gfu n LYS 55 Ca 0.07 0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 3gfu n LYS 55 Cb 0.46 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3gfu n LYS 55 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3gfu s GLU 56 N -3.21 1.73 0.56 1.97 1.03 -1.26 -5.09 118.70 114.43 3gfu s GLU 56 Ca 0.04 -0.93 -0.17 0.00 0.03 0.00 0.00 54.97 53.94 3gfu s GLU 56 Cb 0.14 0.61 -0.05 0.00 -0.80 0.00 0.00 34.13 34.02 3gfu s GLU 56 CO 0.78 -0.79 1.05 0.00 -1.33 0.00 0.00 175.26 174.97 3gfu s ALA 57 N -3.90 2.79 0.04 -0.84 0.00 -1.25 -4.86 121.76 113.74 3gfu s ALA 57 Ca 0.10 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.52 3gfu s ALA 57 Cb -0.05 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3gfu s ALA 57 CO 0.05 -0.67 -0.07 -0.59 0.00 0.00 0.00 175.76 174.48 3gfu s PHE 58 N -2.35 0.65 0.20 0.00 -0.71 0.33 -4.90 117.98 111.20 3gfu s PHE 58 Ca 0.64 -0.51 -0.29 0.00 -1.04 0.00 0.00 56.93 55.74 3gfu s PHE 58 Cb -0.16 -0.39 -0.08 0.00 -1.21 0.00 0.00 43.02 41.18 3gfu s PHE 58 CO 0.33 -0.09 0.90 0.00 -1.34 0.00 0.00 175.22 175.01 3gfu s ALA 59 N -1.42 3.36 -0.21 1.99 0.00 -1.26 -0.48 121.76 123.73 3gfu s ALA 59 Ca -0.10 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 3gfu s ALA 59 Cb -0.10 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3gfu s ALA 59 CO 0.00 0.20 0.56 -0.08 0.00 0.00 0.00 175.76 176.45 3gfu s THR 60 N -1.02 -0.00 0.45 0.00 -1.32 0.11 -4.95 115.64 108.91 3gfu s THR 60 Ca 0.40 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 61.12 3gfu s THR 60 Cb -0.25 -0.79 0.26 0.00 -1.51 0.00 0.00 72.50 70.21 3gfu s THR 60 CO 0.30 0.00 2.07 1.55 -2.21 0.00 0.00 174.62 176.33 3gfu h PRO 61 N 5.64 0.00 -4.68 7.08 0.13 -1.97 -3.34 132.00 134.86 3gfu h PRO 61 Ca -0.29 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.60 3gfu h PRO 61 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 3gfu h PRO 61 CO 0.17 0.12 -0.71 0.14 -0.23 0.00 0.00 178.00 177.49 3gfu s VAL 62 N -4.43 0.71 -0.19 1.56 -7.23 -1.26 -4.90 120.40 104.66 3gfu s VAL 62 Ca -0.04 -1.77 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 3gfu s VAL 62 Cb 0.14 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 3gfu s VAL 62 CO 0.62 -0.76 0.11 -0.89 -0.31 0.00 0.00 175.10 173.87 3gfu s THR 63 N -3.14 5.23 0.00 5.32 2.01 -1.26 -4.38 115.64 119.42 3gfu s THR 63 Ca 0.08 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3gfu s THR 63 Cb 0.02 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3gfu s THR 63 CO -0.03 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3gfu n GLY 64 N 3.35 0.57 3.95 4.40 0.00 -1.26 -4.93 105.19 111.26 3gfu n GLY 64 Ca -0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3gfu n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gfu s GLY 65 N -2.80 1.79 0.48 -0.02 0.00 -1.26 -1.79 107.32 103.71 3gfu s GLY 65 Ca 0.00 -1.34 0.33 0.00 0.00 0.00 0.00 44.72 43.71 3gfu s GLY 65 CO 0.00 -0.58 1.98 -0.24 0.00 0.00 0.00 173.10 174.26 3gfu h VAL 66 N -1.48 0.00 -0.01 1.40 3.04 -1.96 0.21 116.25 117.44 3gfu h VAL 66 Ca -0.43 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 3gfu h VAL 66 Cb 1.23 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3gfu h VAL 66 CO 0.37 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.03 3gfu n ASP 67 N -2.74 0.51 0.00 3.17 5.75 -1.26 -4.83 116.55 117.15 3gfu n ASP 67 Ca -0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 3gfu n ASP 67 Cb 0.16 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3gfu n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gfu n GLY 68 N 1.04 0.70 3.68 6.12 0.00 0.75 -4.95 105.19 112.52 3gfu n GLY 68 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3gfu n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gfu n ILE 69 N 0.00 0.50 -1.71 -0.61 2.08 -1.26 -4.97 119.36 113.38 3gfu n ILE 69 Ca 0.00 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.92 3gfu n ILE 69 Cb 0.00 -2.13 0.18 0.00 -0.75 0.00 0.00 39.64 36.94 3gfu n ILE 69 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3gfu s PRO 70 N 3.33 0.49 0.04 0.38 0.04 -1.26 -4.38 135.00 133.64 3gfu s PRO 70 Ca 0.85 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 3gfu s PRO 70 Cb -0.50 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3gfu s PRO 70 CO 0.40 -2.55 1.11 -1.58 0.04 0.00 0.00 177.00 174.43 3gfu s HIS 71 N -3.60 3.53 -0.09 0.56 5.65 -1.08 -3.72 115.29 116.54 3gfu s HIS 71 Ca 0.71 1.47 0.02 0.00 0.25 0.00 0.00 55.06 57.50 3gfu s HIS 71 Cb -0.07 -3.30 0.02 0.00 -1.18 0.00 0.00 32.58 28.05 3gfu s HIS 71 CO 0.53 -0.75 -0.12 0.42 -0.65 0.00 0.00 174.74 174.16 3gfu s ILE 72 N 0.96 1.23 0.02 0.89 1.01 -1.26 -1.13 121.20 122.93 3gfu s ILE 72 Ca 0.56 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3gfu s ILE 72 Cb -0.26 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3gfu s ILE 72 CO 0.29 0.38 -0.14 0.00 0.00 0.00 0.00 174.94 175.47 3gfu s ALA 73 N 0.92 1.19 -0.13 9.38 0.00 0.18 -2.92 121.76 130.38 3gfu s ALA 73 Ca -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 3gfu s ALA 73 Cb -0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 3gfu s ALA 73 CO 0.00 0.25 -0.01 -0.06 0.00 0.00 0.00 175.76 175.94 3gfu s PHE 74 N -0.67 3.09 0.22 0.00 0.08 -1.26 -0.36 117.98 119.08 3gfu s PHE 74 Ca 0.03 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.04 3gfu s PHE 74 Cb -0.07 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.43 3gfu s PHE 74 CO 0.01 0.18 0.01 0.95 -0.10 0.00 0.00 175.22 176.26 3gfu s THR 75 N -0.12 0.93 0.39 0.64 -4.23 0.12 0.26 115.64 113.63 3gfu s THR 75 Ca 0.04 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 3gfu s THR 75 Cb -0.13 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.45 3gfu s THR 75 CO 0.02 -0.33 0.46 -0.90 -0.54 0.00 0.00 174.62 173.34 3gfu n ASP 76 N -0.39 1.67 0.00 3.99 5.68 -0.33 -0.20 116.55 126.96 3gfu n ASP 76 Ca -0.05 -2.12 0.07 0.00 -0.50 0.00 0.00 54.79 52.19 3gfu n ASP 76 Cb 0.64 -0.21 0.31 0.00 -1.14 0.00 0.00 41.12 40.72 3gfu n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gfu n TYR 77 N -1.71 0.00 0.86 2.11 4.11 -1.26 -0.44 117.16 120.84 3gfu n TYR 77 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.07 3gfu n TYR 77 Cb 0.41 -0.46 -0.02 0.00 -0.00 0.00 0.00 39.34 39.28 3gfu n TYR 77 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3gfu n GLU 78 N -1.46 1.38 -0.50 -3.48 4.71 -1.26 -4.96 120.64 115.07 3gfu n GLU 78 Ca 0.04 -0.79 0.00 0.00 -0.01 0.00 0.00 57.16 56.40 3gfu n GLU 78 Cb 0.16 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3gfu n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gfu n GLY 79 N 1.31 0.75 3.79 0.62 0.00 0.42 -5.04 105.19 107.04 3gfu n GLY 79 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3gfu n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfu s ALA 80 N -2.71 2.97 0.27 4.61 0.00 -1.26 -4.69 121.76 120.95 3gfu s ALA 80 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 3gfu s ALA 80 Cb 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 3gfu s ALA 80 CO 0.00 -0.24 1.26 0.45 0.00 0.00 0.00 175.76 177.24 3gfu n SER 81 N -0.57 2.28 -4.02 0.00 2.88 -1.26 -1.19 113.62 111.74 3gfu n SER 81 Ca 0.07 1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 58.49 3gfu n SER 81 Cb 0.51 -1.39 -0.17 0.00 -0.75 0.00 0.00 64.21 62.42 3gfu n SER 81 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3gfu s VAL 82 N -0.56 1.50 -0.11 2.46 1.01 0.14 -4.79 120.40 120.05 3gfu s VAL 82 Ca 0.63 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 3gfu s VAL 82 Cb -0.66 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3gfu s VAL 82 CO 0.55 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 175.33 3gfu s VAL 83 N 1.34 3.57 0.01 2.92 1.01 -1.26 -4.01 120.40 123.99 3gfu s VAL 83 Ca 0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3gfu s VAL 83 Cb -0.13 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3gfu s VAL 83 CO -0.08 0.55 1.22 -0.76 0.00 0.00 0.00 175.10 176.04 3gfu s LEU 84 N -0.15 4.33 0.20 3.92 1.43 -1.26 -4.66 118.68 122.49 3gfu s LEU 84 Ca 0.01 1.96 0.11 0.00 -1.03 0.00 0.00 54.13 55.18 3gfu s LEU 84 Cb -0.13 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3gfu s LEU 84 CO 0.03 -0.54 -0.24 -0.13 0.23 0.00 0.00 176.35 175.70 3gfu s ARG 85 N 1.64 1.54 0.23 1.70 0.52 -0.27 -4.56 118.95 119.75 3gfu s ARG 85 Ca 0.58 -1.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.06 3gfu s ARG 85 Cb -0.28 -1.84 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 3gfu s ARG 85 CO 0.26 0.39 0.72 0.15 0.02 0.00 0.00 175.30 176.84 3gfu s LYS 86 N -2.73 4.22 -0.13 3.54 3.01 -1.26 -0.91 119.74 125.49 3gfu s LYS 86 Ca 0.21 0.84 -0.07 0.00 -1.01 0.00 0.00 55.97 55.95 3gfu s LYS 86 Cb -0.08 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.85 3gfu s LYS 86 CO 0.10 0.38 -0.02 -1.00 0.51 0.00 0.00 175.35 175.33 3gfu h PRO 87 N 3.35 0.00 0.00 -1.68 0.14 -1.89 -3.46 132.00 128.45 3gfu h PRO 87 Ca -0.48 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 3gfu h PRO 87 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.33 3gfu h PRO 87 CO 0.65 0.11 0.00 0.09 0.14 0.00 0.00 178.00 178.99 3gfu n ASN 92 N -4.68 0.00 -3.63 1.44 5.03 -1.26 -5.15 115.26 107.01 3gfu n ASN 92 Ca -0.05 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.04 3gfu n ASN 92 Cb 0.17 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 3gfu n ASN 92 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3gfu n LYS 93 N 0.00 3.85 0.00 3.52 4.81 -1.26 -3.91 118.16 125.17 3gfu n LYS 93 Ca 0.00 -4.65 0.06 0.00 -0.87 0.00 0.00 58.31 52.85 3gfu n LYS 93 Cb 0.00 -2.39 -0.06 0.00 0.02 0.00 0.00 35.03 32.60 3gfu n LYS 93 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3gfu n ASN 94 N 0.76 0.76 -2.16 3.14 0.23 -0.69 -3.35 115.26 113.95 3gfu n ASN 94 Ca 0.31 -0.88 -0.18 0.00 -0.53 0.00 0.00 54.58 53.30 3gfu n ASN 94 Cb 0.35 0.92 0.01 0.00 -2.08 0.00 0.00 39.78 38.98 3gfu n ASN 94 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gfu n GLY 95 N 1.27 -0.32 3.89 4.83 0.00 0.32 -4.49 105.19 110.69 3gfu n GLY 95 Ca 0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3gfu n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfu s LEU 96 N -5.15 4.21 0.36 0.99 1.43 -1.26 -0.71 118.68 118.54 3gfu s LEU 96 Ca 0.10 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3gfu s LEU 96 Cb -0.04 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.75 3gfu s LEU 96 CO 0.12 -0.02 0.58 0.00 0.23 0.00 0.00 176.35 177.26 3gfu s ALA 97 N -1.76 0.27 0.16 4.21 0.00 -0.29 -4.53 121.76 119.82 3gfu s ALA 97 Ca 0.43 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 3gfu s ALA 97 Cb -0.12 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.02 3gfu s ALA 97 CO 0.24 -0.86 0.38 1.52 0.00 0.00 0.00 175.76 177.05 3gfu s TYR 98 N -2.82 0.04 0.11 0.00 -0.85 -0.08 -0.33 117.35 113.42 3gfu s TYR 98 Ca 0.25 -0.39 -0.11 0.00 -0.52 0.00 0.00 57.07 56.31 3gfu s TYR 98 Cb -0.02 0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.50 3gfu s TYR 98 CO 0.17 -0.76 0.26 -0.59 -1.52 0.00 0.00 175.55 173.11 3gfu s PHE 99 N -3.88 0.11 -0.03 -3.49 -0.12 -0.09 -1.11 117.98 109.37 3gfu s PHE 99 Ca 0.09 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 56.54 3gfu s PHE 99 Cb 0.02 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 3gfu s PHE 99 CO -0.05 -0.62 -0.22 0.08 -0.05 0.00 0.00 175.22 174.36 3gfu s VAL 100 N -3.87 1.77 0.04 -2.49 1.01 -1.26 0.12 120.40 115.72 3gfu s VAL 100 Ca 0.07 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3gfu s VAL 100 Cb 0.04 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3gfu s VAL 100 CO -0.09 0.50 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 3gfu s LEU 101 N -0.37 2.17 0.52 3.92 1.43 -0.25 -4.89 118.68 121.20 3gfu s LEU 101 Ca 0.05 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 3gfu s LEU 101 Cb -0.10 -0.62 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 3gfu s LEU 101 CO 0.00 0.04 1.05 -2.16 0.23 0.00 0.00 176.35 175.52 3gfu s PRO 102 N -1.12 3.64 0.17 1.29 0.05 -1.26 0.10 135.00 137.86 3gfu s PRO 102 Ca 0.02 1.36 0.11 0.00 0.05 0.00 0.00 61.00 62.53 3gfu s PRO 102 Cb -0.08 -2.07 -0.04 0.00 0.05 0.00 0.00 34.50 32.36 3gfu s PRO 102 CO 0.01 -0.57 -0.23 0.00 0.05 0.00 0.00 177.00 176.26 3gfu s MET 103 N -3.42 1.41 0.13 4.56 0.23 -0.46 -4.46 119.30 117.29 3gfu s MET 103 Ca 0.67 -1.44 0.05 0.00 -1.03 0.00 0.00 55.69 53.94 3gfu s MET 103 Cb -0.17 -1.72 -0.04 0.00 -1.53 0.00 0.00 34.83 31.37 3gfu s MET 103 CO 0.24 0.38 -0.12 -1.59 -2.03 0.00 0.00 175.02 171.91 3gfu s LYS 104 N -2.50 1.00 0.47 3.16 -2.85 0.36 -0.51 119.74 118.86 3gfu s LYS 104 Ca 0.17 -1.30 -0.03 0.00 -1.00 0.00 0.00 55.97 53.81 3gfu s LYS 104 Cb -0.08 -0.71 0.10 0.00 -2.06 0.00 0.00 37.83 35.08 3gfu s LYS 104 CO 0.08 0.11 0.64 0.27 0.10 0.00 0.00 175.35 176.55 3gfu n ASN 105 N 0.25 0.60 -0.21 0.03 0.23 -0.68 -0.69 115.26 114.80 3gfu n ASN 105 Ca -0.14 -1.57 0.08 0.00 -0.53 0.00 0.00 54.58 52.42 3gfu n ASN 105 Cb 0.59 -0.44 0.35 0.00 -2.08 0.00 0.00 39.78 38.20 3gfu n ASN 105 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gfu h ALA 106 N -0.89 1.73 0.00 -2.53 0.00 -1.79 -0.83 119.26 114.95 3gfu h ALA 106 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gfu h ALA 106 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gfu h ALA 106 CO 0.20 0.12 0.00 0.78 0.00 0.00 0.00 179.25 180.35 3gfu h GLY 107 N 0.75 0.00 0.00 0.00 0.00 -1.93 -3.46 103.07 98.43 3gfu h GLY 107 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3gfu h GLY 107 CO -0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.02 3gfu n GLY 108 N -0.36 0.67 3.75 4.60 0.00 -0.32 -5.08 105.19 108.45 3gfu n GLY 108 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gfu n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gfu s THR 109 N -2.09 4.53 0.08 2.61 2.01 -1.26 -4.77 115.64 116.75 3gfu s THR 109 Ca 0.00 1.82 -0.31 0.00 0.31 0.00 0.00 61.69 63.51 3gfu s THR 109 Cb 0.00 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 3gfu s THR 109 CO 0.00 0.40 1.74 -0.75 -0.69 0.00 0.00 174.62 175.32 3gfu s LYS 110 N -0.38 4.17 0.00 4.92 2.20 -1.26 -1.68 119.74 127.71 3gfu s LYS 110 Ca 0.41 2.44 0.06 0.00 -0.36 0.00 0.00 55.97 58.52 3gfu s LYS 110 Cb -0.22 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.44 3gfu s LYS 110 CO 0.26 -0.80 0.61 1.33 -0.36 0.00 0.00 175.35 176.39 3gfu n VAL 111 N 4.86 0.00 0.00 4.02 0.24 0.33 -4.92 118.33 122.87 3gfu n VAL 111 Ca 0.17 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3gfu n VAL 111 Cb 0.40 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 3gfu n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gfu n GLY 112 N 0.52 -0.21 3.21 7.63 0.00 -1.22 -0.22 105.19 114.88 3gfu n GLY 112 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3gfu n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gfu s SER 113 N -4.00 0.22 -0.04 1.61 1.04 -0.54 -1.35 113.70 110.64 3gfu s SER 113 Ca 0.00 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.54 3gfu s SER 113 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3gfu s SER 113 CO 0.00 -0.75 -0.22 0.54 0.98 0.00 0.00 173.24 173.79 3gfu s VAL 114 N -3.96 1.81 -0.26 5.02 0.11 0.11 -1.02 120.40 122.22 3gfu s VAL 114 Ca 0.15 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 58.16 3gfu s VAL 114 Cb 0.06 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3gfu s VAL 114 CO -0.04 0.51 0.14 -0.75 -3.33 0.00 0.00 175.10 171.63 3gfu s LYS 115 N -0.20 3.87 -0.33 1.54 2.20 0.27 -1.09 119.74 126.01 3gfu s LYS 115 Ca -0.01 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.14 3gfu s LYS 115 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3gfu s LYS 115 CO 0.02 -0.12 0.17 0.08 -0.36 0.00 0.00 175.35 175.14 3gfu s VAL 116 N 1.53 4.62 -0.07 4.02 1.01 0.12 -0.92 120.40 130.71 3gfu s VAL 116 Ca 0.07 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 3gfu s VAL 116 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3gfu s VAL 116 CO 0.07 -0.01 0.93 0.20 0.00 0.00 0.00 175.10 176.29 3gfu s ASN 117 N 1.60 7.21 0.26 3.32 0.01 -0.95 -0.92 114.94 125.48 3gfu s ASN 117 Ca 0.04 1.47 0.02 0.00 -0.71 0.00 0.00 52.86 53.68 3gfu s ASN 117 Cb -0.18 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 3gfu s ASN 117 CO 0.06 -0.33 0.17 0.00 -1.51 0.00 0.00 177.10 175.49 3gfu s ALA 118 N 1.53 1.60 0.03 0.60 0.00 0.55 -4.59 121.76 121.48 3gfu s ALA 118 Ca 0.46 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.67 3gfu s ALA 118 Cb -0.19 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3gfu s ALA 118 CO 0.20 -0.57 -0.16 -1.12 0.00 0.00 0.00 175.76 174.11 3gfu s SER 119 N -3.28 1.95 0.05 0.00 0.01 0.12 -1.14 113.70 111.41 3gfu s SER 119 Ca 0.38 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.20 3gfu s SER 119 Cb 0.06 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 3gfu s SER 119 CO 0.17 0.10 -0.05 -0.72 0.41 0.00 0.00 173.24 173.15 3gfu s TYR 120 N -0.75 0.58 0.01 2.43 -0.85 0.11 -0.81 117.35 118.06 3gfu s TYR 120 Ca 0.04 -0.79 -0.21 0.00 -0.52 0.00 0.00 57.07 55.60 3gfu s TYR 120 Cb -0.08 -0.38 0.04 0.00 0.38 0.00 0.00 41.96 41.93 3gfu s TYR 120 CO 0.01 -0.22 0.46 0.00 -1.52 0.00 0.00 175.55 174.28 3gfu s ALA 121 N -2.74 -1.16 0.06 9.51 0.00 -0.09 -4.64 121.76 122.70 3gfu s ALA 121 Ca -0.01 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3gfu s ALA 121 Cb -0.01 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3gfu s ALA 121 CO -0.04 -0.40 -0.18 0.20 0.00 0.00 0.00 175.76 175.34 3gfu s GLY 122 N -1.66 1.02 -0.00 0.00 0.00 -1.25 -0.99 107.32 104.44 3gfu s GLY 122 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 3gfu s GLY 122 CO 0.02 -1.01 0.09 0.54 0.00 0.00 0.00 173.10 172.73 3gfu s VAL 123 N -0.99 0.07 -0.08 1.40 0.11 -0.07 -0.31 120.40 120.53 3gfu s VAL 123 Ca 0.04 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 3gfu s VAL 123 Cb -0.09 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 3gfu s VAL 123 CO 0.02 -0.32 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.18 3gfu s LEU 124 N -1.05 1.31 0.02 2.54 0.20 -0.50 -1.22 118.68 119.96 3gfu s LEU 124 Ca -0.11 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.41 3gfu s LEU 124 Cb -0.07 -0.71 -0.05 0.00 -0.43 0.00 0.00 46.19 44.94 3gfu s LEU 124 CO 0.01 -0.06 0.26 -0.83 -0.29 0.00 0.00 176.35 175.43 3gfu s GLY 125 N 1.22 2.23 -0.05 7.98 0.00 0.16 -0.99 107.32 117.87 3gfu s GLY 125 Ca -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 3gfu s GLY 125 CO -0.02 -0.46 0.11 -1.60 0.00 0.00 0.00 173.10 171.13 3gfu s ARG 126 N -1.89 0.08 -0.06 2.90 3.52 0.33 -1.70 118.95 122.13 3gfu s ARG 126 Ca 0.29 0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.92 3gfu s ARG 126 Cb -0.13 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.21 3gfu s ARG 126 CO 0.18 -0.11 0.52 0.20 -0.81 0.00 0.00 175.30 175.28 3gfu s GLY 127 N 0.72 -0.39 0.00 8.12 0.00 -0.51 -0.86 107.32 114.40 3gfu s GLY 127 Ca -0.06 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.65 3gfu s GLY 127 CO -0.03 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.38 3gfu n GLY 128 N 1.38 4.16 0.06 0.20 0.00 -1.26 -1.47 105.19 108.26 3gfu n GLY 128 Ca -0.19 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.74 3gfu n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gfu n VAL 129 N -0.02 0.34 0.54 1.61 0.24 -1.26 -4.37 118.33 115.40 3gfu n VAL 129 Ca 0.00 -0.26 0.06 0.00 -2.04 0.00 0.00 64.34 62.09 3gfu n VAL 129 Cb 0.00 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 3gfu n VAL 129 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3gfu n THR 130 N -2.09 0.00 -5.28 3.34 -1.04 -1.26 -4.88 114.28 103.07 3gfu n THR 130 Ca 0.03 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.05 61.43 3gfu n THR 130 Cb 0.44 1.07 -0.16 0.00 -1.82 0.00 0.00 70.33 69.86 3gfu n THR 130 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3gfu s SER 131 N -1.80 3.04 0.39 8.00 0.01 -1.26 -5.00 113.70 117.09 3gfu s SER 131 Ca 0.07 -0.49 0.17 0.00 1.31 0.00 0.00 55.95 57.01 3gfu s SER 131 Cb 0.09 -0.64 0.80 0.00 0.21 0.00 0.00 66.02 66.48 3gfu s SER 131 CO 0.38 0.27 1.82 0.00 0.41 0.00 0.00 173.24 176.12 3gfu h ALA 132 N 5.84 1.20 -2.54 1.44 0.00 -1.93 -3.38 119.26 119.90 3gfu h ALA 132 Ca -0.36 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 53.61 3gfu h ALA 132 Cb 1.15 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 3gfu h ALA 132 CO 0.47 0.44 0.02 -0.51 0.00 0.00 0.00 179.25 179.67 3gfu s ASP 133 N -6.63 6.45 0.25 0.00 1.01 -1.26 -0.18 116.67 116.30 3gfu s ASP 133 Ca -0.02 0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.75 3gfu s ASP 133 Cb 0.13 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.79 3gfu s ASP 133 CO 0.69 -0.33 0.15 0.61 0.21 0.00 0.00 175.17 176.50 3gfu n GLY 134 N 4.40 1.42 3.19 0.21 0.00 0.13 -4.87 105.19 109.68 3gfu n GLY 134 Ca -0.03 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 3gfu n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfu s GLU 135 N -2.62 0.99 -0.10 1.61 2.02 -0.04 0.15 118.70 120.72 3gfu s GLU 135 Ca 0.11 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3gfu s GLU 135 Cb -0.01 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.16 3gfu s GLU 135 CO 0.07 0.25 -0.21 -1.17 0.02 0.00 0.00 175.26 174.22 3gfu s LEU 136 N -1.50 1.98 -0.00 1.80 2.96 0.10 -0.51 118.68 123.50 3gfu s LEU 136 Ca 0.02 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3gfu s LEU 136 Cb -0.09 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3gfu s LEU 136 CO 0.02 0.12 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.26 3gfu s LEU 137 N 0.47 2.06 -0.03 -0.68 1.43 -0.16 -2.43 118.68 119.34 3gfu s LEU 137 Ca -0.17 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 3gfu s LEU 137 Cb -0.17 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3gfu s LEU 137 CO 0.07 0.16 0.74 -0.55 0.23 0.00 0.00 176.35 177.00 3gfu s SER 138 N -0.53 7.08 -0.16 2.29 0.15 -1.26 -1.41 113.70 119.86 3gfu s SER 138 Ca 0.05 1.30 -0.21 0.00 0.70 0.00 0.00 55.95 57.79 3gfu s SER 138 Cb -0.06 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3gfu s SER 138 CO -0.00 -0.08 0.61 -0.76 1.20 0.00 0.00 173.24 174.21 3gfu s LEU 139 N 0.55 4.20 -0.57 3.45 2.01 0.57 -1.35 118.68 127.55 3gfu s LEU 139 Ca 0.39 0.90 0.06 0.00 0.01 0.00 0.00 54.13 55.49 3gfu s LEU 139 Cb -0.19 -2.89 0.24 0.00 0.01 0.00 0.00 46.19 43.36 3gfu s LEU 139 CO 0.20 -0.19 0.64 0.49 1.01 0.00 0.00 176.35 178.51 3gfu n PHE 140 N 4.53 2.31 0.66 0.29 3.72 -1.26 -3.84 117.46 123.86 3gfu n PHE 140 Ca -0.02 -3.97 0.00 0.00 -0.05 0.00 0.00 57.45 53.40 3gfu n PHE 140 Cb 0.50 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 3gfu n PHE 140 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gfu n ALA 141 N 1.19 2.07 -3.39 4.37 0.00 -0.46 -4.84 120.51 119.46 3gfu n ALA 141 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 3gfu n ALA 141 Cb 0.44 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.72 3gfu n ALA 141 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gfu s SER 145 N 0.37 2.34 -0.05 0.00 0.01 -1.26 -5.09 113.70 110.03 3gfu s SER 145 Ca 0.00 -0.41 -0.20 0.00 1.31 0.00 0.00 55.95 56.65 3gfu s SER 145 Cb 0.00 -1.08 0.04 0.00 0.21 0.00 0.00 66.02 65.19 3gfu s SER 145 CO 0.00 0.08 0.44 -0.55 0.41 0.00 0.00 173.24 173.62 3gfu s SER 146 N 0.57 -0.37 0.13 2.44 0.15 -1.26 -4.62 113.70 110.73 3gfu s SER 146 Ca -0.15 0.40 -0.21 0.00 0.70 0.00 0.00 55.95 56.69 3gfu s SER 146 Cb -0.17 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3gfu s SER 146 CO 0.05 -0.45 1.69 0.40 1.20 0.00 0.00 173.24 176.13 3gfu h ILE 147 N 3.68 0.74 -3.40 6.45 2.04 -1.62 -3.42 117.51 121.98 3gfu h ILE 147 Ca -0.28 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 64.91 3gfu h ILE 147 Cb 1.17 0.74 -0.19 0.00 -0.74 0.00 0.00 36.82 37.79 3gfu h ILE 147 CO 0.37 0.00 -0.83 -0.36 0.00 0.00 0.00 178.15 177.33 3gfu s PHE 148 N -6.18 2.33 -0.41 1.37 0.08 -1.26 -5.04 117.98 108.86 3gfu s PHE 148 Ca -0.14 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.60 3gfu s PHE 148 Cb 0.10 -1.19 0.11 0.00 -0.57 0.00 0.00 43.02 41.47 3gfu s PHE 148 CO 0.68 0.45 1.01 0.66 -0.10 0.00 0.00 175.22 177.92 3gfu n TYR 149 N 0.45 0.15 -3.73 0.36 4.01 -1.26 -4.69 117.16 112.44 3gfu n TYR 149 Ca -0.14 -0.40 -0.26 0.00 -0.16 0.00 0.00 57.90 56.94 3gfu n TYR 149 Cb 0.55 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.60 3gfu n TYR 149 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gfu n GLY 150 N -0.02 -0.48 3.49 2.72 0.00 -1.24 -1.86 105.19 107.79 3gfu n GLY 150 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3gfu n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfu n GLY 151 N -1.76 0.35 3.73 -0.02 0.00 -1.15 -4.74 105.19 101.59 3gfu n GLY 151 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3gfu n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfu s LEU 152 N 0.00 4.43 0.34 0.99 1.02 -0.77 -4.45 118.68 120.22 3gfu s LEU 152 Ca 0.00 2.02 -0.28 0.00 0.02 0.00 0.00 54.13 55.89 3gfu s LEU 152 Cb 0.00 -3.59 -0.12 0.00 0.02 0.00 0.00 46.19 42.50 3gfu s LEU 152 CO 0.00 -0.33 1.30 -0.81 0.02 0.00 0.00 176.35 176.54 3gfu n PRO 153 N 3.15 2.14 -3.78 1.29 -0.04 -1.26 -4.95 135.00 131.54 3gfu n PRO 153 Ca 0.06 0.75 -0.37 0.00 -0.04 0.00 0.00 63.50 63.90 3gfu n PRO 153 Cb 0.47 -2.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.46 3gfu n PRO 153 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gfu s ARG 154 N -1.78 3.36 0.00 0.54 0.52 -1.26 -4.74 118.95 115.59 3gfu s ARG 154 Ca 0.56 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 3gfu s ARG 154 Cb -0.57 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 31.61 3gfu s ARG 154 CO 0.61 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3gfu n GLY 155 N 4.88 3.50 0.00 -3.53 0.00 -1.26 -4.98 105.19 103.80 3gfu n GLY 155 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3gfu n GLY 155 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfu n SER 156 N 0.00 0.00 -4.76 1.61 7.64 -1.25 -5.02 113.62 111.83 3gfu n SER 156 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 3gfu n SER 156 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 3gfu n SER 156 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3gfu s GLU 157 N 0.00 3.40 0.09 1.43 1.03 -1.26 -0.52 118.70 122.87 3gfu s GLU 157 Ca 0.00 1.92 -0.27 0.00 0.03 0.00 0.00 54.97 56.66 3gfu s GLU 157 Cb 0.00 -2.25 -0.15 0.00 -0.80 0.00 0.00 34.13 30.93 3gfu s GLU 157 CO 0.00 -0.89 0.60 1.28 -1.33 0.00 0.00 175.26 174.93 3gfu n LEU 158 N -0.90 -0.59 0.01 1.83 4.77 -1.21 -4.35 117.00 116.56 3gfu n LEU 158 Ca 0.10 0.92 0.01 0.00 -0.03 0.00 0.00 56.01 57.00 3gfu n LEU 158 Cb 0.47 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 3gfu n LEU 158 CO 0.48 -2.04 -0.50 -1.54 -1.33 0.00 0.00 177.39 172.47 3gfu n SER 159 N 1.44 0.57 -4.78 -1.43 3.41 -1.26 -4.78 113.62 106.79 3gfu n SER 159 Ca 0.15 0.25 -0.37 0.00 -0.26 0.00 0.00 58.87 58.64 3gfu n SER 159 Cb 0.14 0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 3gfu n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gfu s ALA 160 N -2.98 3.63 0.20 7.33 0.00 -1.26 -4.48 121.76 124.20 3gfu s ALA 160 Ca -0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 3gfu s ALA 160 Cb 0.09 -2.39 0.21 0.00 0.00 0.00 0.00 23.12 21.03 3gfu s ALA 160 CO 0.83 0.26 1.78 0.78 0.00 0.00 0.00 175.76 179.40 3gfu h GLY 161 N 5.86 0.83 0.53 0.00 0.00 -1.84 -1.69 103.07 106.76 3gfu h GLY 161 Ca -0.46 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 46.74 3gfu h GLY 161 CO 0.69 0.08 -0.00 1.76 0.00 0.00 0.00 176.54 179.07 3gfu h SER 162 N 0.52 -0.13 -0.70 0.19 0.02 -1.93 0.15 113.55 111.67 3gfu h SER 162 Ca 0.27 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3gfu h SER 162 Cb 0.23 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3gfu h SER 162 CO -0.21 -0.03 0.46 0.00 -1.14 0.00 0.00 176.83 175.91 3gfu h ALA 163 N 1.26 1.49 -0.23 3.77 0.00 -1.87 -1.49 119.26 122.19 3gfu h ALA 163 Ca 0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3gfu h ALA 163 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gfu h ALA 163 CO -0.24 0.47 -0.61 0.00 0.00 0.00 0.00 179.25 178.87 3gfu h ALA 164 N 1.56 0.38 -0.35 0.00 0.00 -0.38 -2.18 119.26 118.29 3gfu h ALA 164 Ca 0.26 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3gfu h ALA 164 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gfu h ALA 164 CO -0.06 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 3gfu h ALA 165 N 0.62 1.14 -0.86 0.00 0.00 -0.57 -0.49 119.26 119.10 3gfu h ALA 165 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gfu h ALA 165 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3gfu h ALA 165 CO 0.13 0.54 0.46 0.00 0.00 0.00 0.00 179.25 180.39 3gfu h ALA 166 N 1.31 1.10 -0.29 0.00 0.00 -0.86 -0.71 119.26 119.82 3gfu h ALA 166 Ca 0.10 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3gfu h ALA 166 Cb 0.54 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gfu h ALA 166 CO 0.03 0.62 -0.50 -0.09 0.00 0.00 0.00 179.25 179.31 3gfu h ARG 167 N 1.20 0.80 -0.72 0.00 2.43 -0.86 -1.08 114.38 116.14 3gfu h ARG 167 Ca 0.30 -0.47 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3gfu h ARG 167 Cb 0.04 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3gfu h ARG 167 CO -0.05 1.10 0.34 1.79 -1.51 0.00 0.00 179.97 181.65 3gfu h THR 168 N 0.62 1.24 -0.12 0.20 1.35 -0.65 -2.73 112.91 112.82 3gfu h THR 168 Ca 0.03 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3gfu h THR 168 Cb 1.08 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3gfu h THR 168 CO 0.11 0.28 0.07 0.50 -0.25 0.00 0.00 175.52 176.23 3gfu h LYS 169 N 1.01 0.17 -0.88 4.72 1.63 -0.79 -0.23 116.57 122.20 3gfu h LYS 169 Ca 0.25 -0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.23 3gfu h LYS 169 Cb 0.13 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 31.60 3gfu h LYS 169 CO -0.03 0.19 0.39 1.25 -3.45 0.00 0.00 179.45 177.79 3gfu h LEU 170 N 0.11 0.34 -0.33 5.20 5.85 -0.97 0.26 115.31 125.76 3gfu h LEU 170 Ca 0.04 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3gfu h LEU 170 Cb 0.06 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3gfu h LEU 170 CO -0.01 0.03 -0.04 0.49 -0.34 0.00 0.00 178.44 178.57 3gfu n PHE 171 N -5.03 0.00 0.00 1.25 3.72 -1.05 -4.92 117.46 111.44 3gfu n PHE 171 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3gfu n PHE 171 Cb 0.61 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3gfu n PHE 171 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gfu n GLY 172 N 1.15 0.86 0.00 1.37 0.00 0.08 -4.65 105.19 104.00 3gfu n GLY 172 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3gfu n GLY 172 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfu n SER 173 N 0.00 0.02 -4.79 1.61 2.88 -0.12 -4.98 113.62 108.24 3gfu n SER 173 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 3gfu n SER 173 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3gfu n SER 173 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gfu s LEU 174 N 0.00 4.09 0.70 2.46 1.43 -1.26 -4.02 118.68 122.09 3gfu s LEU 174 Ca 0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3gfu s LEU 174 Cb 0.00 -4.26 0.12 0.00 0.03 0.00 0.00 46.19 42.08 3gfu s LEU 174 CO 0.00 -0.50 0.97 -0.94 0.23 0.00 0.00 176.35 176.11 3gfu s SER 175 N -1.68 4.44 0.14 2.29 1.04 -1.26 -2.43 113.70 116.24 3gfu s SER 175 Ca 0.59 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 3gfu s SER 175 Cb -0.20 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3gfu s SER 175 CO 0.25 -1.80 1.52 -0.09 0.98 0.00 0.00 173.24 174.10 3gfu h ARG 176 N -0.45 0.92 -0.33 4.02 2.43 -1.94 -1.25 114.38 117.79 3gfu h ARG 176 Ca -0.36 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.40 3gfu h ARG 176 Cb 1.27 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3gfu h ARG 176 CO 0.41 1.07 0.20 -0.44 -1.51 0.00 0.00 179.97 179.69 3gfu h ASP 177 N 0.75 0.38 -0.21 -3.80 3.32 -1.98 0.10 116.42 114.98 3gfu h ASP 177 Ca 0.09 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3gfu h ASP 177 Cb 0.80 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3gfu h ASP 177 CO 0.07 0.29 -0.21 0.44 -1.72 0.00 0.00 179.24 178.11 3gfu h ASP 178 N 0.45 0.55 -0.31 6.45 3.32 -1.75 0.25 116.42 125.37 3gfu h ASP 178 Ca 0.12 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 3gfu h ASP 178 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3gfu h ASP 178 CO -0.02 0.91 0.17 0.40 -1.72 0.00 0.00 179.24 178.98 3gfu h ILE 179 N 0.19 1.13 -0.41 0.35 2.04 -0.78 -0.53 117.51 119.50 3gfu h ILE 179 Ca 0.03 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3gfu h ILE 179 Cb 0.76 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3gfu h ILE 179 CO 0.05 0.13 0.26 0.25 0.00 0.00 0.00 178.15 178.84 3gfu h LEU 180 N 0.39 0.43 -0.47 1.44 5.85 -0.76 -2.41 115.31 119.78 3gfu h LEU 180 Ca 0.11 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.92 3gfu h LEU 180 Cb 0.06 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3gfu h LEU 180 CO -0.02 0.31 -0.04 1.23 -0.34 0.00 0.00 178.44 179.58 3gfu h GLY 181 N 0.52 0.43 1.11 3.75 0.00 -0.45 0.78 103.07 109.22 3gfu h GLY 181 Ca 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3gfu h GLY 181 CO -0.06 -0.15 0.26 1.46 0.00 0.00 0.00 176.54 178.06 3gfu h GLN 182 N 0.07 1.12 -0.24 4.80 4.20 -0.92 -2.01 115.11 122.13 3gfu h GLN 182 Ca 0.23 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3gfu h GLN 182 Cb 0.35 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3gfu h GLN 182 CO -0.42 0.93 -0.15 0.82 -0.67 0.00 0.00 178.83 179.34 3gfu h ILE 183 N 1.09 1.31 0.00 2.54 2.04 -0.86 -3.01 117.51 120.61 3gfu h ILE 183 Ca 0.24 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3gfu h ILE 183 Cb 0.26 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3gfu h ILE 183 CO -0.01 0.39 -0.18 -0.61 0.00 0.00 0.00 178.15 177.73 3gfu h GLN 184 N 0.24 0.00 -0.07 2.37 4.15 -0.73 0.16 115.11 121.23 3gfu h GLN 184 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3gfu h GLN 184 Cb 0.67 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3gfu h GLN 184 CO 0.04 0.18 -0.18 -0.09 -1.93 0.00 0.00 178.83 176.85 3gfu h ARG 185 N 0.00 0.11 0.01 1.69 2.43 -1.23 -2.60 114.38 114.79 3gfu h ARG 185 Ca -0.00 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 3gfu h ARG 185 Cb 0.38 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3gfu h ARG 185 CO 0.02 0.29 -1.63 0.28 -1.51 0.00 0.00 179.97 177.42 3gfu n VAL 186 N -4.28 1.56 -3.76 0.20 0.31 -0.61 -4.76 118.33 106.99 3gfu n VAL 186 Ca -0.02 -0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 63.77 3gfu n VAL 186 Cb 0.27 -1.96 -0.11 0.00 -0.91 0.00 0.00 33.84 31.13 3gfu n VAL 186 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3gfu s ASN 187 N -7.00 5.27 0.63 4.52 0.01 0.47 -4.96 114.94 113.89 3gfu s ASN 187 Ca -0.30 -2.13 0.42 0.00 -0.71 0.00 0.00 52.86 50.14 3gfu s ASN 187 Cb 0.08 -1.84 2.12 0.00 0.41 0.00 0.00 41.25 42.02 3gfu s ASN 187 CO 0.59 -0.53 2.26 0.00 -1.51 0.00 0.00 177.10 177.91 3gfu h ALA 188 N 7.94 1.00 0.00 0.60 0.00 -1.72 -2.67 119.26 124.42 3gfu h ALA 188 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gfu h ALA 188 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gfu h ALA 188 CO 0.71 0.00 0.00 -2.95 0.00 0.00 0.00 179.25 177.01 3gfu h ASN 189 N 0.00 0.00 -3.13 0.00 -1.07 -1.88 -3.43 115.58 106.06 3gfu h ASN 189 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 3gfu h ASN 189 Cb 0.16 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.36 3gfu h ASN 189 CO 0.00 0.00 0.73 -0.69 0.07 0.00 0.00 177.43 177.54 3gfu s VAL 190 N -3.68 4.70 -0.09 6.14 1.01 -1.00 -4.02 120.40 123.46 3gfu s VAL 190 Ca 0.01 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.04 3gfu s VAL 190 Cb 0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3gfu s VAL 190 CO 0.48 -0.12 0.11 0.35 0.00 0.00 0.00 175.10 175.93 3gfu n THR 191 N 5.07 0.00 -3.93 3.92 -2.24 0.74 -4.69 114.28 113.15 3gfu n THR 191 Ca 0.11 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 3gfu n THR 191 Cb 0.47 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 3gfu n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gfu s SER 192 N -1.78 -0.06 -0.21 3.42 1.04 -1.13 -5.06 113.70 109.92 3gfu s SER 192 Ca 0.00 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.56 3gfu s SER 192 Cb 0.02 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.87 3gfu s SER 192 CO 0.14 -1.30 -0.07 -0.76 0.98 0.00 0.00 173.24 172.23 3gfu s LEU 193 N -3.01 2.34 0.14 2.42 1.43 -1.26 0.19 118.68 120.94 3gfu s LEU 193 Ca 0.18 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 3gfu s LEU 193 Cb -0.03 -1.16 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 3gfu s LEU 193 CO 0.09 -0.20 0.93 -0.69 0.23 0.00 0.00 176.35 176.72 3gfu s VAL 194 N 1.43 4.39 0.15 -1.59 1.01 0.12 -4.53 120.40 121.38 3gfu s VAL 194 Ca -0.03 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.66 3gfu s VAL 194 Cb -0.17 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3gfu s VAL 194 CO -0.07 0.38 1.54 -1.81 0.00 0.00 0.00 175.10 175.14 3gfu s ASP 195 N -0.37 6.63 0.00 3.32 1.01 -1.26 -0.73 116.67 125.27 3gfu s ASP 195 Ca 0.44 2.56 0.00 0.00 0.71 0.00 0.00 52.55 56.26 3gfu s ASP 195 Cb -0.24 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.10 3gfu s ASP 195 CO 0.30 -0.80 0.00 1.33 0.21 0.00 0.00 175.17 176.21 3gfu n VAL 196 N 4.01 0.00 0.00 -1.27 0.24 -1.02 -4.90 118.33 115.39 3gfu n VAL 196 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3gfu n VAL 196 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3gfu n VAL 196 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3gfu n ASN 210 N -0.35 0.00 -4.31 -1.34 2.85 -1.25 -4.99 115.26 105.86 3gfu n ASN 210 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 3gfu n ASN 210 Cb 0.00 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.87 3gfu n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3gfu s VAL 211 N 0.00 2.55 0.14 3.44 1.01 -0.54 0.10 120.40 127.09 3gfu s VAL 211 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3gfu s VAL 211 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3gfu s VAL 211 CO 0.00 0.55 -0.16 0.68 0.00 0.00 0.00 175.10 176.17 3gfu s VAL 212 N 0.13 1.56 -0.00 2.92 -7.23 0.37 -1.42 120.40 116.72 3gfu s VAL 212 Ca -0.10 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 3gfu s VAL 212 Cb -0.16 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 3gfu s VAL 212 CO 0.06 -0.34 0.02 -0.55 -0.31 0.00 0.00 175.10 173.97 3gfu s SER 213 N -2.49 0.00 0.03 4.85 0.15 -0.69 -0.52 113.70 115.04 3gfu s SER 213 Ca 0.11 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 3gfu s SER 213 Cb -0.06 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 3gfu s SER 213 CO 0.05 -0.03 0.28 0.00 1.20 0.00 0.00 173.24 174.73 3gfu s ALA 214 N -0.13 -0.62 0.10 5.45 0.00 -1.26 0.37 121.76 125.66 3gfu s ALA 214 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3gfu s ALA 214 Cb -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3gfu s ALA 214 CO -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 175.76 175.31 3gfu s ALA 215 N -2.23 1.07 -0.01 0.00 0.00 -0.36 -1.01 121.76 119.23 3gfu s ALA 215 Ca -0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 3gfu s ALA 215 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3gfu s ALA 215 CO -0.01 -0.08 0.03 -0.47 0.00 0.00 0.00 175.76 175.23 3gfu s TYR 216 N -2.64 -0.00 -0.17 0.00 6.04 0.75 -0.89 117.35 120.44 3gfu s TYR 216 Ca 0.06 0.02 -0.09 0.00 0.04 0.00 0.00 57.07 57.10 3gfu s TYR 216 Cb -0.02 -0.01 0.06 0.00 -1.04 0.00 0.00 41.96 40.96 3gfu s TYR 216 CO -0.01 -0.04 0.40 0.00 -1.54 0.00 0.00 175.55 174.36 3gfu s ALA 217 N -0.18 -1.04 -0.05 3.97 0.00 -0.17 -0.70 121.76 123.60 3gfu s ALA 217 Ca -0.02 1.51 0.04 0.00 0.00 0.00 0.00 51.96 53.49 3gfu s ALA 217 Cb -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3gfu s ALA 217 CO -0.00 -0.30 -0.16 -1.17 0.00 0.00 0.00 175.76 174.13 3gfu s LEU 218 N 1.50 1.87 0.00 0.00 2.96 -0.48 -0.92 118.68 123.60 3gfu s LEU 218 Ca -0.09 -0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 53.26 3gfu s LEU 218 Cb -0.09 -0.93 0.07 0.00 0.50 0.00 0.00 46.19 45.74 3gfu s LEU 218 CO -0.13 0.12 1.01 0.61 -1.32 0.00 0.00 176.35 176.64 3gfu n GLY 219 N 3.30 0.46 3.44 7.98 0.00 0.01 0.05 105.19 120.42 3gfu n GLY 219 Ca -0.19 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 3gfu n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gfu s ILE 220 N -2.08 4.46 0.35 -0.61 1.01 0.12 0.10 121.20 124.56 3gfu s ILE 220 Ca 0.23 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 3gfu s ILE 220 Cb -0.01 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 3gfu s ILE 220 CO 0.02 0.16 0.96 0.00 0.00 0.00 0.00 174.94 176.08 3gfu s ALA 221 N 1.61 3.17 -0.28 9.38 0.00 -1.26 0.21 121.76 134.58 3gfu s ALA 221 Ca 0.05 0.54 -0.43 0.00 0.00 0.00 0.00 51.96 52.11 3gfu s ALA 221 Cb -0.16 -3.19 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 3gfu s ALA 221 CO 0.05 0.11 1.43 -1.71 0.00 0.00 0.00 175.76 175.64 3gfu n ASN 222 N 0.30 1.00 0.00 0.00 2.85 -1.03 -1.20 115.26 117.18 3gfu n ASN 222 Ca 0.03 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.66 3gfu n ASN 222 Cb 0.50 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.58 3gfu n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gfu n GLY 223 N 3.14 2.89 3.81 8.20 0.00 0.81 -4.93 105.19 119.10 3gfu n GLY 223 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3gfu n GLY 223 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gfu s GLN 224 N -0.78 3.39 0.22 1.61 -0.21 -0.34 -4.63 119.66 118.92 3gfu s GLN 224 Ca 0.00 1.18 0.07 0.00 0.02 0.00 0.00 55.36 56.63 3gfu s GLN 224 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3gfu s GLN 224 CO 0.00 -0.75 0.10 0.95 -2.12 0.00 0.00 175.29 173.47 3gfu s THR 225 N -2.46 4.10 -0.17 -0.19 -4.23 -1.26 -1.73 115.64 109.69 3gfu s THR 225 Ca 0.63 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3gfu s THR 225 Cb -0.15 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3gfu s THR 225 CO 0.36 -0.25 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.46 3gfu s ILE 226 N -2.00 3.12 -0.34 2.99 1.01 0.25 -2.23 121.20 124.00 3gfu s ILE 226 Ca 0.31 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 3gfu s ILE 226 Cb -0.08 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.08 3gfu s ILE 226 CO 0.22 0.48 0.10 -1.61 0.00 0.00 0.00 174.94 174.13 3gfu s GLU 227 N 0.90 2.56 -0.09 2.79 2.02 -0.09 -0.08 118.70 126.70 3gfu s GLU 227 Ca -0.02 -1.24 -0.11 0.00 0.02 0.00 0.00 54.97 53.61 3gfu s GLU 227 Cb -0.15 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 3gfu s GLU 227 CO 0.00 -0.69 0.27 0.00 0.02 0.00 0.00 175.26 174.85 3gfu s ALA 228 N 1.36 3.75 -0.15 5.21 0.00 0.15 -0.56 121.76 131.52 3gfu s ALA 228 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3gfu s ALA 228 Cb -0.20 -2.21 0.04 0.00 0.00 0.00 0.00 23.12 20.74 3gfu s ALA 228 CO 0.02 0.44 -0.05 0.99 0.00 0.00 0.00 175.76 177.15 3gfu s THR 229 N -0.66 1.02 -0.20 0.00 2.01 -0.19 -1.52 115.64 116.10 3gfu s THR 229 Ca 0.18 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 3gfu s THR 229 Cb -0.14 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3gfu s THR 229 CO 0.07 0.18 0.47 -0.36 -0.69 0.00 0.00 174.62 174.28 3gfu s PHE 230 N 1.68 3.37 0.31 4.92 0.08 0.56 -1.47 117.98 127.44 3gfu s PHE 230 Ca 0.02 0.70 0.04 0.00 0.12 0.00 0.00 56.93 57.81 3gfu s PHE 230 Cb -0.15 -2.61 0.51 0.00 -0.57 0.00 0.00 43.02 40.21 3gfu s PHE 230 CO -0.08 -0.07 1.80 -2.95 -0.10 0.00 0.00 175.22 173.82 3gfu h ASN 231 N 7.43 0.46 -3.64 1.36 7.08 -0.92 -3.40 115.58 123.96 3gfu h ASN 231 Ca -0.35 -0.12 -0.67 0.00 -3.08 0.00 0.00 56.30 52.08 3gfu h ASN 231 Cb 1.16 -0.12 -0.17 0.00 -2.08 0.00 0.00 38.32 37.10 3gfu h ASN 231 CO 0.73 0.64 -0.73 0.00 -2.08 0.00 0.00 177.43 175.98 3gfu s GLN 232 N -4.69 2.32 0.51 4.14 0.00 -1.25 -5.06 119.66 115.62 3gfu s GLN 232 Ca -0.07 -0.88 -0.22 0.00 -0.00 0.00 0.00 55.36 54.19 3gfu s GLN 232 Cb 0.15 -2.38 -0.06 0.00 0.00 0.00 0.00 33.01 30.71 3gfu s GLN 232 CO 0.78 0.55 1.24 0.00 0.00 0.00 0.00 175.29 177.86 3gfu s ALA 233 N -1.08 2.86 0.25 2.60 0.00 -1.26 -4.87 121.76 120.26 3gfu s ALA 233 Ca 0.19 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3gfu s ALA 233 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3gfu s ALA 233 CO 0.10 -0.97 0.07 0.14 0.00 0.00 0.00 175.76 175.11 3gfu s VAL 234 N -1.47 0.67 0.52 0.00 -7.23 -0.56 -5.02 120.40 107.31 3gfu s VAL 234 Ca 0.68 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3gfu s VAL 234 Cb -0.33 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 3gfu s VAL 234 CO 0.39 -0.08 0.00 0.42 -0.31 0.00 0.00 175.10 175.52 3gfu s THR 235 N -3.68 1.06 -1.89 5.32 -4.23 -1.26 -4.64 115.64 106.33 3gfu s THR 235 Ca 0.35 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3gfu s THR 235 Cb 0.08 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3gfu s THR 235 CO 0.12 0.00 0.56 0.35 -0.54 0.00 0.00 174.62 175.11 3gfu n THR 236 N -1.30 0.22 0.17 3.99 -2.24 -1.26 -1.57 114.28 112.30 3gfu n THR 236 Ca -0.21 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3gfu n THR 236 Cb 0.67 -1.05 0.08 0.00 -2.10 0.00 0.00 70.33 67.93 3gfu n THR 236 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3gfu h SER 237 N 0.00 0.00 -3.43 3.42 0.87 -1.95 -3.46 113.55 109.00 3gfu h SER 237 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 3gfu h SER 237 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3gfu h SER 237 CO 0.00 0.26 0.40 -0.89 -0.53 0.00 0.00 176.83 176.07 3gfu s THR 238 N -3.09 4.61 -0.31 2.23 2.01 -0.61 -5.03 115.64 115.46 3gfu s THR 238 Ca 0.05 1.95 -0.09 0.00 0.31 0.00 0.00 61.69 63.91 3gfu s THR 238 Cb 0.07 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 3gfu s THR 238 CO 0.72 0.20 0.13 -1.58 -0.69 0.00 0.00 174.62 173.40 3gfu s GLN 239 N 0.69 3.25 0.25 4.92 0.74 -1.26 -5.00 119.66 123.25 3gfu s GLN 239 Ca 0.52 -0.77 0.06 0.00 0.05 0.00 0.00 55.36 55.21 3gfu s GLN 239 Cb -0.23 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 3gfu s GLN 239 CO 0.29 -0.43 0.33 1.67 -0.55 0.00 0.00 175.29 176.60 3gfu s TRP 240 N 1.58 3.35 -0.08 1.67 1.48 -1.26 -2.16 118.94 123.51 3gfu s TRP 240 Ca 0.04 -0.06 -0.04 0.00 -1.06 0.00 0.00 56.10 54.98 3gfu s TRP 240 Cb -0.17 -1.56 0.04 0.00 -1.16 0.00 0.00 33.47 30.62 3gfu s TRP 240 CO 0.05 0.43 0.18 -1.12 -4.06 0.00 0.00 176.95 172.43 3gfu s SER 241 N -3.96 -0.17 -0.46 -2.66 0.01 0.13 -4.95 113.70 101.64 3gfu s SER 241 Ca 0.34 0.38 0.03 0.00 1.31 0.00 0.00 55.95 58.01 3gfu s SER 241 Cb -0.09 0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.56 3gfu s SER 241 CO 0.28 -0.15 0.28 0.00 0.41 0.00 0.00 173.24 174.06 3gfu s ALA 242 N 1.12 2.24 0.44 1.44 0.00 -1.26 -0.49 121.76 125.25 3gfu s ALA 242 Ca -0.08 -2.71 -0.25 0.00 0.00 0.00 0.00 51.96 48.92 3gfu s ALA 242 Cb -0.10 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 3gfu s ALA 242 CO -0.06 -2.06 1.31 -2.30 0.00 0.00 0.00 175.76 172.65 3gfu n PRO 243 N 3.30 1.96 -4.06 0.00 -0.02 -1.26 -5.01 135.00 129.92 3gfu n PRO 243 Ca 0.12 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 3gfu n PRO 243 Cb 0.36 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 3gfu n PRO 243 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gfu s LEU 244 N -2.03 2.67 -0.23 2.45 2.96 -1.26 -3.98 118.68 119.26 3gfu s LEU 244 Ca 0.62 -0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3gfu s LEU 244 Cb -0.49 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3gfu s LEU 244 CO 0.57 -0.07 0.09 0.20 -1.32 0.00 0.00 176.35 175.83 3gfu s ASN 245 N 1.28 5.53 -0.21 3.68 0.01 0.72 -4.97 114.94 120.97 3gfu s ASN 245 Ca 0.01 -0.04 -0.10 0.00 -0.71 0.00 0.00 52.86 52.02 3gfu s ASN 245 Cb -0.15 -1.98 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 3gfu s ASN 245 CO -0.09 0.05 0.13 -0.69 -1.51 0.00 0.00 177.10 174.99 3gfu s VAL 246 N 1.13 5.36 -0.22 1.60 1.01 -1.26 -0.70 120.40 127.32 3gfu s VAL 246 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3gfu s VAL 246 Cb -0.14 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3gfu s VAL 246 CO 0.04 0.42 -0.13 0.00 0.00 0.00 0.00 175.10 175.43 3gfu s ALA 247 N 0.54 2.53 -0.16 5.51 0.00 0.51 -4.99 121.76 125.70 3gfu s ALA 247 Ca 0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 3gfu s ALA 247 Cb -0.12 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3gfu s ALA 247 CO -0.00 -0.64 -0.07 0.42 0.00 0.00 0.00 175.76 175.47 3gfu s ILE 248 N 1.28 3.54 -0.23 0.00 1.01 -1.26 -0.65 121.20 124.90 3gfu s ILE 248 Ca 0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 3gfu s ILE 248 Cb -0.15 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.80 3gfu s ILE 248 CO -0.08 0.49 -0.11 -0.89 0.00 0.00 0.00 174.94 174.35 3gfu s THR 249 N 0.51 2.58 -0.28 2.92 2.01 -0.28 -5.01 115.64 118.09 3gfu s THR 249 Ca -0.05 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.77 3gfu s THR 249 Cb -0.15 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3gfu s THR 249 CO 0.03 0.29 0.35 -0.31 -0.69 0.00 0.00 174.62 174.29 3gfu s TYR 250 N 1.30 3.24 -2.02 4.92 2.02 -1.26 -2.65 117.35 122.90 3gfu s TYR 250 Ca 0.01 0.34 0.32 0.00 -0.37 0.00 0.00 57.07 57.36 3gfu s TYR 250 Cb -0.16 -2.56 1.87 0.00 -0.40 0.00 0.00 41.96 40.72 3gfu s TYR 250 CO -0.07 -0.24 2.21 0.66 -1.57 0.00 0.00 175.55 176.54