#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfu s GLN 12 N 0.00 4.23 -0.09 2.89 0.74 -1.26 -4.96 119.66 121.21 3gfu s GLN 12 Ca 0.00 2.30 -0.11 0.00 0.05 0.00 0.00 55.36 57.60 3gfu s GLN 12 Cb 0.00 -3.28 -0.09 0.00 1.10 0.00 0.00 33.01 30.73 3gfu s GLN 12 CO 0.00 -0.61 0.38 1.57 -0.55 0.00 0.00 175.29 176.07 3gfu h LYS 13 N 7.19 -0.09 -6.32 1.67 5.09 -1.97 -3.42 116.57 118.73 3gfu h LYS 13 Ca -0.42 0.01 -0.60 0.00 0.09 0.00 0.00 60.65 59.73 3gfu h LYS 13 Cb 1.20 0.02 -0.11 0.00 0.10 0.00 0.00 32.23 33.45 3gfu h LYS 13 CO 0.91 0.22 -0.65 -1.58 -2.09 0.00 0.00 179.45 176.26 3gfu s TRP 14 N -2.18 2.83 -0.13 0.07 0.52 -1.26 -0.52 118.94 118.27 3gfu s TRP 14 Ca -0.07 -0.15 0.01 0.00 0.02 0.00 0.00 56.10 55.91 3gfu s TRP 14 Cb -0.01 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.98 3gfu s TRP 14 CO 0.26 0.53 -0.14 -2.00 0.02 0.00 0.00 176.95 175.61 3gfu s GLU 15 N -3.05 2.22 -0.03 4.98 2.12 -0.16 -4.86 118.70 119.92 3gfu s GLU 15 Ca 0.28 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.12 3gfu s GLU 15 Cb -0.09 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.31 3gfu s GLU 15 CO 0.19 -0.16 -0.19 -1.58 -0.54 0.00 0.00 175.26 172.98 3gfu s TRP 16 N 1.27 1.77 -0.02 5.30 0.52 -1.26 -1.51 118.94 125.01 3gfu s TRP 16 Ca -0.00 -0.42 -0.26 0.00 0.02 0.00 0.00 56.10 55.43 3gfu s TRP 16 Cb -0.14 -1.16 0.06 0.00 -1.15 0.00 0.00 33.47 31.08 3gfu s TRP 16 CO -0.06 -0.10 0.58 -1.59 0.02 0.00 0.00 176.95 175.80 3gfu s LYS 17 N -0.24 0.99 0.43 4.98 -2.85 -0.88 -5.02 119.74 117.16 3gfu s LYS 17 Ca 0.02 0.07 -0.03 0.00 -1.00 0.00 0.00 55.97 55.03 3gfu s LYS 17 Cb -0.09 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3gfu s LYS 17 CO 0.01 -0.32 0.69 0.14 0.10 0.00 0.00 175.35 175.97 3gfu s VAL 18 N -1.51 4.88 0.67 1.79 -7.23 -1.26 -1.31 120.40 116.43 3gfu s VAL 18 Ca -0.10 -0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.85 3gfu s VAL 18 Cb -0.01 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.10 3gfu s VAL 18 CO 0.06 -0.69 1.05 -0.83 -0.31 0.00 0.00 175.10 174.39 3gfu s GLY 19 N -4.09 1.66 -0.05 2.32 0.00 -0.06 -4.93 107.32 102.16 3gfu s GLY 19 Ca 0.45 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.18 3gfu s GLY 19 CO 0.41 0.24 1.06 -1.30 0.00 0.00 0.00 173.10 173.51 3gfu n THR 20 N -2.98 0.73 -0.63 0.90 -2.24 -1.26 -4.85 114.28 103.94 3gfu n THR 20 Ca 0.07 -0.88 0.07 0.00 -2.27 0.00 0.00 64.05 61.04 3gfu n THR 20 Cb 0.54 0.22 0.23 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.55 3.40 2.40 3.38 0.00 -1.26 -4.70 105.19 107.86 3gfu n GLY 21 Ca 0.06 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 0.06 7.32 0.00 0.99 4.32 -1.26 -4.82 117.00 123.61 3gfu n LEU 22 Ca 0.18 -4.35 0.00 0.00 -0.02 0.00 0.00 56.01 51.81 3gfu n LEU 22 Cb 0.71 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 3gfu n LEU 22 CO 0.13 1.92 0.00 -0.46 -1.22 0.00 0.00 177.39 177.76 3gfu n ASN 23 N 1.81 0.00 -3.46 -1.43 6.94 -1.26 -4.98 115.26 112.87 3gfu n ASN 23 Ca 0.58 -0.44 -0.25 0.00 -0.02 0.00 0.00 54.58 54.45 3gfu n ASN 23 Cb 0.42 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.86 3gfu n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gfu n GLY 24 N 0.00 -0.50 0.00 4.83 0.00 -1.26 -5.20 105.19 103.05 3gfu n GLY 24 Ca 0.00 0.15 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 -4.40 0.00 0.00 1.61 3.72 -1.26 -5.22 117.46 111.91 3gfu n PHE 25 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3gfu n PHE 25 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3gfu n PHE 25 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gfu n VAL 28 N 0.00 0.00 0.13 -4.37 0.24 -1.26 -5.17 118.33 107.90 3gfu n VAL 28 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 3gfu n VAL 28 Cb 0.00 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.57 3gfu n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3gfu h LEU 29 N 0.00 0.06 -0.06 1.34 3.38 -1.98 -0.86 115.31 117.19 3gfu h LEU 29 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gfu h LEU 29 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gfu h LEU 29 CO 0.00 0.61 0.25 0.59 0.09 0.00 0.00 178.44 179.98 3gfu n ASN 30 N -3.88 0.02 -1.26 -0.43 4.13 -1.26 -1.42 115.26 111.16 3gfu n ASN 30 Ca -0.02 0.28 0.12 0.00 1.68 0.00 0.00 54.58 56.64 3gfu n ASN 30 Cb 0.57 -0.27 0.27 0.00 -1.54 0.00 0.00 39.78 38.80 3gfu n ASN 30 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3gfu n ASP 31 N -1.32 3.73 -4.64 6.41 8.00 -0.33 -5.00 116.55 123.39 3gfu n ASP 31 Ca -0.00 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.07 3gfu n ASP 31 Cb 0.25 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.98 3gfu n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gfu n LEU 32 N 1.59 2.75 -4.40 0.64 4.77 -0.51 -4.78 117.00 117.07 3gfu n LEU 32 Ca 0.22 1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 57.17 3gfu n LEU 32 Cb 0.62 -1.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.23 3gfu n LEU 32 CO 0.16 -0.97 -0.20 0.42 -1.33 0.00 0.00 177.39 175.48 3gfu s THR 33 N -1.10 0.50 -1.09 -5.08 -4.23 -0.01 -4.82 115.64 99.81 3gfu s THR 33 Ca 0.58 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3gfu s THR 33 Cb -0.62 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 3gfu s THR 33 CO 0.61 0.00 0.91 0.59 -0.54 0.00 0.00 174.62 176.19 3gfu n ASN 34 N -1.02 -2.20 -2.60 3.99 4.13 -1.26 -1.62 115.26 114.69 3gfu n ASN 34 Ca -0.01 -0.57 -0.18 0.00 1.68 0.00 0.00 54.58 55.50 3gfu n ASN 34 Cb 0.65 -4.73 0.04 0.00 -1.54 0.00 0.00 39.78 34.20 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 -1.12 -0.25 2.15 7.41 0.00 -1.26 -2.54 105.19 109.57 3gfu n GLY 35 Ca -0.26 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.48 0.18 0.00 -0.02 0.00 -1.14 -4.67 105.19 98.07 3gfu n GLY 36 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.86 0.00 -4.58 2.61 -2.24 -0.64 -1.74 114.28 103.83 3gfu n THR 37 Ca -0.08 -0.45 -0.22 0.00 -2.27 0.00 0.00 64.05 61.03 3gfu n THR 37 Cb 0.52 0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.10 1.18 -0.11 -0.78 1.02 -0.66 -0.38 119.74 118.92 3gfu s LYS 38 Ca 0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.49 3gfu s LYS 38 Cb 0.00 -1.10 0.05 0.00 -0.52 0.00 0.00 37.83 36.26 3gfu s LYS 38 CO 0.00 0.22 0.24 -1.17 -0.92 0.00 0.00 175.35 173.72 3gfu s LEU 39 N -0.09 0.14 -0.20 3.17 2.96 -0.57 -0.83 118.68 123.26 3gfu s LEU 39 Ca 0.01 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 3gfu s LEU 39 Cb -0.07 0.66 -0.01 0.00 0.50 0.00 0.00 46.19 47.26 3gfu s LEU 39 CO 0.00 -0.20 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.90 3gfu s THR 40 N 1.75 3.44 -0.24 3.68 2.01 -1.26 0.14 115.64 125.15 3gfu s THR 40 Ca -0.05 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 3gfu s THR 40 Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3gfu s THR 40 CO -0.08 0.44 0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 3gfu s ILE 41 N 1.22 4.71 -0.36 1.82 1.01 0.35 -4.97 121.20 124.97 3gfu s ILE 41 Ca 0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 3gfu s ILE 41 Cb -0.14 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 3gfu s ILE 41 CO -0.01 0.34 0.43 -0.89 0.00 0.00 0.00 174.94 174.81 3gfu s THR 42 N 1.38 5.10 0.22 2.92 2.01 -1.26 -0.90 115.64 125.10 3gfu s THR 42 Ca 0.06 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 3gfu s THR 42 Cb -0.15 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 3gfu s THR 42 CO 0.05 -0.21 1.01 -0.69 -0.69 0.00 0.00 174.62 174.09 3gfu s VAL 43 N 2.17 3.96 -0.09 3.82 1.01 -0.75 -4.85 120.40 125.66 3gfu s VAL 43 Ca 0.14 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.98 3gfu s VAL 43 Cb -0.16 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3gfu s VAL 43 CO 0.13 0.39 -0.11 0.42 0.00 0.00 0.00 175.10 175.92 3gfu s THR 44 N -0.79 3.27 0.00 3.92 -4.23 -1.26 0.17 115.64 116.72 3gfu s THR 44 Ca 0.45 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3gfu s THR 44 Cb -0.28 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3gfu s THR 44 CO 0.34 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.59 3gfu n GLY 45 N 2.87 -0.28 3.55 3.99 0.00 -1.26 -4.89 105.19 109.17 3gfu n GLY 45 Ca -0.18 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.30 6.11 -0.41 1.61 0.01 -1.26 -2.52 114.94 116.19 3gfu s ASN 46 Ca 0.00 -0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 51.79 3gfu s ASN 46 Cb 0.00 -2.16 0.04 0.00 0.41 0.00 0.00 41.25 39.54 3gfu s ASN 46 CO 0.00 -0.24 0.27 -0.54 -1.51 0.00 0.00 177.10 175.07 3gfu s LYS 47 N 1.86 2.84 0.27 -0.60 -0.14 0.78 -4.96 119.74 119.78 3gfu s LYS 47 Ca 0.09 -1.18 -0.30 0.00 -1.36 0.00 0.00 55.97 53.22 3gfu s LYS 47 Cb -0.17 -3.86 -0.11 0.00 -1.68 0.00 0.00 37.83 32.02 3gfu s LYS 47 CO 0.11 -0.81 1.51 -1.25 -0.76 0.00 0.00 175.35 174.15 3gfu s PRO 48 N 1.57 4.20 -0.22 -1.68 0.04 -1.26 -0.52 135.00 137.14 3gfu s PRO 48 Ca 0.03 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 63.34 3gfu s PRO 48 Cb -0.21 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 3gfu s PRO 48 CO 0.07 -0.52 -0.25 -0.89 0.04 0.00 0.00 177.00 175.45 3gfu n ILE 49 N 2.29 1.51 -3.76 0.56 5.41 0.19 -3.52 119.36 122.05 3gfu n ILE 49 Ca 0.07 -0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3gfu n ILE 49 Cb 0.39 -2.13 -0.15 0.00 -0.71 0.00 0.00 39.64 37.04 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 -7.79 0.88 -0.02 1.39 2.96 -0.60 -0.88 118.68 114.61 3gfu s LEU 50 Ca -0.31 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3gfu s LEU 50 Cb 0.08 0.18 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 3gfu s LEU 50 CO 0.45 -0.14 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.37 3gfu s LEU 51 N 1.12 2.03 0.01 -0.68 1.43 -0.42 -0.96 118.68 121.21 3gfu s LEU 51 Ca -0.09 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3gfu s LEU 51 Cb -0.12 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 3gfu s LEU 51 CO -0.05 0.25 -0.08 -0.83 0.23 0.00 0.00 176.35 175.87 3gfu s GLY 52 N -0.44 0.45 -0.03 -3.19 0.00 -0.51 -2.08 107.32 101.52 3gfu s GLY 52 Ca 0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 3gfu s GLY 52 CO -0.00 -0.45 0.33 1.09 0.00 0.00 0.00 173.10 174.07 3gfu s ARG 53 N -0.57 0.64 0.43 2.90 1.70 -0.57 -0.50 118.95 122.98 3gfu s ARG 53 Ca 0.00 -0.07 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 3gfu s ARG 53 Cb -0.05 0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.54 3gfu s ARG 53 CO 0.00 -0.17 1.19 0.95 -1.08 0.00 0.00 175.30 176.19 3gfu s THR 54 N -1.07 3.05 -0.45 4.99 -4.23 -0.30 -0.99 115.64 116.63 3gfu s THR 54 Ca -0.11 0.85 0.23 0.00 -1.18 0.00 0.00 61.69 61.48 3gfu s THR 54 Cb -0.05 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.36 3gfu s THR 54 CO 0.04 0.05 1.19 0.11 -0.54 0.00 0.00 174.62 175.46 3gfu h LYS 55 N 2.38 0.00 -3.15 3.99 1.57 -1.04 -3.46 116.57 116.86 3gfu h LYS 55 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3gfu h LYS 55 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 3gfu h LYS 55 CO 0.61 0.00 0.18 -1.83 -0.57 0.00 0.00 179.45 177.85 3gfu s GLU 56 N -3.26 1.95 0.55 3.15 1.03 -1.26 -5.10 118.70 115.77 3gfu s GLU 56 Ca 0.03 -1.25 -0.16 0.00 0.03 0.00 0.00 54.97 53.62 3gfu s GLU 56 Cb 0.11 0.59 -0.06 0.00 -0.80 0.00 0.00 34.13 33.97 3gfu s GLU 56 CO 0.75 -0.89 1.01 0.00 -1.33 0.00 0.00 175.26 174.80 3gfu s ALA 57 N -3.22 2.98 0.01 -0.84 0.00 -1.26 -4.87 121.76 114.56 3gfu s ALA 57 Ca 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3gfu s ALA 57 Cb -0.05 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3gfu s ALA 57 CO 0.10 -0.46 0.04 -0.59 0.00 0.00 0.00 175.76 174.84 3gfu s PHE 58 N -2.66 0.17 0.22 0.00 -0.71 -0.27 -4.91 117.98 109.81 3gfu s PHE 58 Ca 0.60 -0.37 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 3gfu s PHE 58 Cb -0.12 -0.13 -0.08 0.00 -1.21 0.00 0.00 43.02 41.48 3gfu s PHE 58 CO 0.36 -0.23 0.99 0.00 -1.34 0.00 0.00 175.22 175.00 3gfu s ALA 59 N -1.43 3.34 -0.21 1.99 0.00 -1.26 -0.21 121.76 123.98 3gfu s ALA 59 Ca -0.16 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 3gfu s ALA 59 Cb -0.09 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3gfu s ALA 59 CO 0.00 0.05 0.52 0.99 0.00 0.00 0.00 175.76 177.32 3gfu s THR 60 N -0.86 -0.01 -0.78 0.00 2.01 -0.38 -4.94 115.64 110.68 3gfu s THR 60 Ca 0.44 0.04 0.13 0.00 0.31 0.00 0.00 61.69 62.60 3gfu s THR 60 Cb -0.27 -0.75 0.12 0.00 0.01 0.00 0.00 72.50 71.62 3gfu s THR 60 CO 0.34 0.02 1.40 -0.81 -0.69 0.00 0.00 174.62 174.87 3gfu n PRO 61 N 3.73 0.06 -3.74 4.92 -0.04 -1.26 -4.41 135.00 134.27 3gfu n PRO 61 Ca -0.19 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 3gfu n PRO 61 Cb 0.56 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 3gfu n PRO 61 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gfu s VAL 62 N -3.15 0.07 -0.07 0.52 0.11 -1.26 -5.04 120.40 111.58 3gfu s VAL 62 Ca 0.03 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 3gfu s VAL 62 Cb 0.06 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 3gfu s VAL 62 CO 0.20 -0.30 -0.07 0.42 -3.33 0.00 0.00 175.10 172.01 3gfu s THR 63 N -2.07 3.66 0.00 5.04 -4.23 -1.26 -4.41 115.64 112.37 3gfu s THR 63 Ca -0.08 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3gfu s THR 63 Cb -0.02 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3gfu s THR 63 CO -0.00 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 3gfu n GLY 64 N 2.35 0.54 3.71 3.99 0.00 -1.26 -4.91 105.19 109.61 3gfu n GLY 64 Ca -0.18 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.35 1.64 0.45 -0.02 0.00 -1.26 -0.97 107.32 104.81 3gfu s GLY 65 Ca 0.00 -1.00 0.31 0.00 0.00 0.00 0.00 44.72 44.03 3gfu s GLY 65 CO 0.00 -0.17 1.91 -0.24 0.00 0.00 0.00 173.10 174.60 3gfu h VAL 66 N -2.23 0.00 -0.07 1.40 3.04 -1.96 0.76 116.25 117.18 3gfu h VAL 66 Ca -0.45 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3gfu h VAL 66 Cb 1.28 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 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 -2.73 0.73 0.00 3.17 5.75 -1.26 -4.81 116.55 117.40 3gfu n ASP 67 Ca 0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 3gfu n ASP 67 Cb 0.23 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.93 1.28 3.69 6.12 0.00 0.26 -4.98 105.19 112.49 3gfu n GLY 68 Ca 0.15 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.55 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 0.27 -2.10 -0.61 2.08 -1.26 -4.98 119.36 112.77 3gfu n ILE 69 Ca 0.00 -0.07 -0.28 0.00 0.56 0.00 0.00 62.75 62.96 3gfu n ILE 69 Cb 0.00 -1.71 0.15 0.00 -0.75 0.00 0.00 39.64 37.33 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 0.61 1.15 0.06 0.38 0.05 -1.26 -4.30 135.00 131.68 3gfu s PRO 70 Ca 0.74 -0.50 -0.31 0.00 0.05 0.00 0.00 61.00 60.99 3gfu s PRO 70 Cb -0.60 -1.99 -0.06 0.00 0.05 0.00 0.00 34.50 31.89 3gfu s PRO 70 CO 0.39 -2.01 1.34 -1.58 0.05 0.00 0.00 177.00 175.19 3gfu s HIS 71 N -3.64 3.17 -0.09 0.56 5.65 -1.15 -3.45 115.29 116.35 3gfu s HIS 71 Ca 0.70 1.00 0.01 0.00 0.25 0.00 0.00 55.06 57.02 3gfu s HIS 71 Cb -0.06 -3.60 0.02 0.00 -1.18 0.00 0.00 32.58 27.76 3gfu s HIS 71 CO 0.50 -2.10 -0.08 0.42 -0.65 0.00 0.00 174.74 172.83 3gfu s ILE 72 N 1.52 0.97 0.01 0.89 1.01 -1.26 -1.55 121.20 122.80 3gfu s ILE 72 Ca 0.63 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.02 3gfu s ILE 72 Cb -0.33 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3gfu s ILE 72 CO 0.29 0.34 -0.15 0.00 0.00 0.00 0.00 174.94 175.42 3gfu s ALA 73 N 1.29 1.27 -0.13 9.38 0.00 0.95 -3.15 121.76 131.37 3gfu s ALA 73 Ca -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3gfu s ALA 73 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3gfu s ALA 73 CO -0.03 0.29 0.02 -0.06 0.00 0.00 0.00 175.76 175.98 3gfu s PHE 74 N -0.57 3.19 0.18 0.00 0.08 -1.26 0.03 117.98 119.64 3gfu s PHE 74 Ca 0.05 0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.23 3gfu s PHE 74 Cb -0.07 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 3gfu s PHE 74 CO 0.00 0.28 -0.11 0.95 -0.10 0.00 0.00 175.22 176.25 3gfu s THR 75 N -0.25 1.39 0.39 0.64 -4.23 0.59 0.22 115.64 114.39 3gfu s THR 75 Ca 0.06 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 3gfu s THR 75 Cb -0.12 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.81 3gfu s THR 75 CO 0.02 -0.65 0.53 -0.90 -0.54 0.00 0.00 174.62 173.09 3gfu n ASP 76 N -0.29 1.20 0.13 3.99 5.68 0.15 -0.24 116.55 127.16 3gfu n ASP 76 Ca -0.09 -1.90 0.12 0.00 -0.50 0.00 0.00 54.79 52.42 3gfu n ASP 76 Cb 0.61 -0.30 0.50 0.00 -1.14 0.00 0.00 41.12 40.79 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 -1.93 0.78 -0.19 2.11 4.11 -1.26 -0.77 117.16 120.02 3gfu n TYR 77 Ca 0.10 0.32 0.12 0.00 -0.00 0.00 0.00 57.90 58.44 3gfu n TYR 77 Cb 0.37 -1.02 0.30 0.00 -0.00 0.00 0.00 39.34 39.00 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 -2.22 2.66 -0.72 -3.48 1.02 -1.26 -4.92 120.64 111.71 3gfu n GLU 78 Ca 0.02 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 3gfu n GLU 78 Cb 0.20 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3gfu n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfu n GLY 79 N 1.63 1.51 3.79 0.62 0.00 0.05 -5.01 105.19 107.79 3gfu n GLY 79 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.71 2.62 0.50 4.61 0.00 -1.26 -4.62 121.76 119.91 3gfu s ALA 80 Ca 0.00 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 3gfu s ALA 80 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 3gfu s ALA 80 CO 0.00 -1.01 1.32 0.45 0.00 0.00 0.00 175.76 176.52 3gfu s SER 81 N -2.66 5.66 -0.14 0.00 0.15 -1.26 -0.68 113.70 114.77 3gfu s SER 81 Ca 0.65 2.68 -0.02 0.00 0.70 0.00 0.00 55.95 59.96 3gfu s SER 81 Cb -0.18 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.54 3gfu s SER 81 CO 0.38 -1.30 0.01 -0.69 1.20 0.00 0.00 173.24 172.84 3gfu s VAL 82 N -1.33 0.58 -0.13 4.45 1.01 0.13 -4.75 120.40 120.36 3gfu s VAL 82 Ca 0.67 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 3gfu s VAL 82 Cb -0.38 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3gfu s VAL 82 CO 0.46 0.03 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 3gfu s VAL 83 N 1.86 4.10 0.00 2.92 1.01 -1.26 -4.00 120.40 125.03 3gfu s VAL 83 Ca 0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3gfu s VAL 83 Cb -0.15 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 3gfu s VAL 83 CO -0.07 0.53 1.51 -0.76 0.00 0.00 0.00 175.10 176.31 3gfu s LEU 84 N -0.08 4.33 0.11 3.92 1.43 -1.26 -4.67 118.68 122.45 3gfu s LEU 84 Ca 0.03 2.22 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 3gfu s LEU 84 Cb -0.13 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3gfu s LEU 84 CO 0.02 -0.80 -0.22 -0.13 0.23 0.00 0.00 176.35 175.45 3gfu s ARG 85 N 2.79 1.16 0.42 1.70 0.52 -0.47 -4.48 118.95 120.59 3gfu s ARG 85 Ca 0.68 -1.19 -0.22 0.00 -0.52 0.00 0.00 55.73 54.48 3gfu s ARG 85 Cb -0.34 -1.46 -0.10 0.00 0.52 0.00 0.00 34.95 33.57 3gfu s ARG 85 CO 0.28 0.34 0.97 -1.59 0.02 0.00 0.00 175.30 175.33 3gfu s LYS 86 N -1.94 4.22 -0.06 3.54 0.00 -1.26 -0.87 119.74 123.37 3gfu s LYS 86 Ca 0.08 1.24 -0.18 0.00 0.00 0.00 0.00 55.97 57.10 3gfu s LYS 86 Cb -0.10 -2.32 -0.14 0.00 0.00 0.00 0.00 37.83 35.28 3gfu s LYS 86 CO 0.04 -0.05 0.72 -1.35 0.00 0.00 0.00 175.35 174.72 3gfu h PRO 87 N 2.15 -0.21 -3.01 1.78 0.11 -1.91 -3.46 132.00 127.45 3gfu h PRO 87 Ca -0.49 0.01 -0.72 0.00 0.11 0.00 0.00 66.00 64.92 3gfu h PRO 87 Cb 1.19 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3gfu h PRO 87 CO 0.62 0.18 2.82 1.63 -0.21 0.00 0.00 178.00 183.04 3gfu n LYS 93 N -4.91 4.01 0.00 1.05 5.02 -1.26 -5.16 118.16 116.91 3gfu n LYS 93 Ca -0.07 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 3gfu n LYS 93 Cb 0.24 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 3gfu n LYS 93 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gfu n ASN 94 N 3.03 1.37 -1.75 4.39 0.23 -1.06 -4.13 115.26 117.34 3gfu n ASN 94 Ca 0.62 -1.67 -0.15 0.00 -0.53 0.00 0.00 54.58 52.86 3gfu n ASN 94 Cb 0.28 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.33 -0.24 3.90 4.83 0.00 0.18 -4.69 105.19 108.85 3gfu n GLY 95 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.34 4.23 0.32 0.99 1.43 -1.26 -0.77 118.68 119.27 3gfu s LEU 96 Ca 0.02 0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 53.55 3gfu s LEU 96 Cb -0.01 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.91 3gfu s LEU 96 CO 0.03 -0.00 0.67 0.00 0.23 0.00 0.00 176.35 177.28 3gfu s ALA 97 N -1.76 -0.66 0.20 4.21 0.00 -0.22 -4.52 121.76 119.02 3gfu s ALA 97 Ca 0.41 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 3gfu s ALA 97 Cb -0.12 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 3gfu s ALA 97 CO 0.26 -0.96 0.31 1.52 0.00 0.00 0.00 175.76 176.89 3gfu s TYR 98 N -3.28 0.56 0.14 0.00 -0.85 -0.05 -0.59 117.35 113.28 3gfu s TYR 98 Ca 0.17 -0.89 -0.15 0.00 -0.52 0.00 0.00 57.07 55.67 3gfu s TYR 98 Cb -0.04 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.23 3gfu s TYR 98 CO 0.10 -0.79 0.39 -0.59 -1.52 0.00 0.00 175.55 173.15 3gfu s PHE 99 N -4.03 -0.12 -0.07 -3.49 -0.12 -0.43 -1.37 117.98 108.36 3gfu s PHE 99 Ca 0.24 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 56.95 3gfu s PHE 99 Cb 0.03 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 3gfu s PHE 99 CO 0.06 -0.72 -0.22 0.08 -0.05 0.00 0.00 175.22 174.36 3gfu s VAL 100 N -3.83 2.32 -0.03 -2.49 1.01 -1.26 0.18 120.40 116.30 3gfu s VAL 100 Ca 0.05 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3gfu s VAL 100 Cb 0.02 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 3gfu s VAL 100 CO -0.10 0.56 -0.17 -0.76 0.00 0.00 0.00 175.10 174.64 3gfu s LEU 101 N -0.07 1.94 0.47 3.92 1.43 0.40 -4.92 118.68 121.84 3gfu s LEU 101 Ca -0.05 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3gfu s LEU 101 Cb -0.14 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 3gfu s LEU 101 CO 0.04 0.17 1.24 -2.16 0.23 0.00 0.00 176.35 175.87 3gfu s PRO 102 N -0.08 3.65 -0.03 1.29 0.04 -1.26 -0.13 135.00 138.48 3gfu s PRO 102 Ca -0.01 1.97 0.08 0.00 0.04 0.00 0.00 61.00 63.07 3gfu s PRO 102 Cb -0.10 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3gfu s PRO 102 CO 0.01 -0.70 -0.26 1.41 0.04 0.00 0.00 177.00 177.51 3gfu s MET 103 N -2.65 2.21 0.22 4.56 1.75 0.05 -4.54 119.30 120.90 3gfu s MET 103 Ca 0.64 -0.92 0.08 0.00 -1.25 0.00 0.00 55.69 54.24 3gfu s MET 103 Cb -0.34 -2.07 -0.05 0.00 2.84 0.00 0.00 34.83 35.22 3gfu s MET 103 CO 0.41 0.52 -0.14 -1.59 -0.65 0.00 0.00 175.02 173.57 3gfu s LYS 104 N -0.52 1.38 0.66 4.11 -2.85 0.53 -0.30 119.74 122.74 3gfu s LYS 104 Ca 0.07 -1.62 0.06 0.00 -1.00 0.00 0.00 55.97 53.48 3gfu s LYS 104 Cb -0.11 -1.18 0.12 0.00 -2.06 0.00 0.00 37.83 34.60 3gfu s LYS 104 CO -0.00 0.19 0.91 0.54 0.10 0.00 0.00 175.35 177.08 3gfu s ASN 105 N -3.34 4.67 0.46 0.03 2.20 -0.45 -0.44 114.94 118.08 3gfu s ASN 105 Ca 0.24 -0.73 0.16 0.00 -0.94 0.00 0.00 52.86 51.58 3gfu s ASN 105 Cb -0.01 0.34 1.12 0.00 -2.00 0.00 0.00 41.25 40.70 3gfu s ASN 105 CO 0.08 -1.66 2.01 0.00 -2.94 0.00 0.00 177.10 174.59 3gfu h ALA 106 N -0.19 2.08 0.00 3.54 0.00 -1.80 0.26 119.26 123.16 3gfu h ALA 106 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gfu h ALA 106 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gfu h ALA 106 CO 0.39 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3gfu n GLY 107 N -1.54 -1.18 0.05 0.00 0.00 -1.26 -4.88 105.19 96.37 3gfu n GLY 107 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gfu n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfu n GLY 108 N 0.64 0.28 3.69 -0.02 0.00 0.08 -5.06 105.19 104.81 3gfu n GLY 108 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.02 4.57 -0.02 2.61 2.01 -1.26 -4.70 115.64 116.83 3gfu s THR 109 Ca 0.00 1.86 -0.32 0.00 0.31 0.00 0.00 61.69 63.54 3gfu s THR 109 Cb 0.00 -4.19 -0.11 0.00 0.01 0.00 0.00 72.50 68.21 3gfu s THR 109 CO 0.00 0.03 1.91 1.17 -0.69 0.00 0.00 174.62 177.04 3gfu n LYS 110 N 4.87 2.49 0.00 4.92 4.81 -1.26 -1.34 118.16 132.65 3gfu n LYS 110 Ca 0.09 0.91 0.03 0.00 -0.87 0.00 0.00 58.31 58.48 3gfu n LYS 110 Cb 0.48 -2.80 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 3gfu n LYS 110 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3gfu n VAL 111 N 5.24 0.00 0.00 3.15 0.24 0.59 -4.91 118.33 122.64 3gfu n VAL 111 Ca 0.21 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3gfu n VAL 111 Cb 0.34 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 0.86 -0.49 3.28 7.63 0.00 -1.10 -0.33 105.19 115.03 3gfu n GLY 112 Ca 0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 0.16 -0.06 1.61 1.04 0.03 -0.77 113.70 111.70 3gfu s SER 113 Ca 0.00 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.13 3gfu s SER 113 Cb 0.00 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3gfu s SER 113 CO 0.00 -0.91 -0.07 0.54 0.98 0.00 0.00 173.24 173.78 3gfu s VAL 114 N -4.09 0.76 -0.25 5.02 0.11 0.81 -0.49 120.40 122.27 3gfu s VAL 114 Ca 0.36 -0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 3gfu s VAL 114 Cb 0.05 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3gfu s VAL 114 CO 0.12 0.28 0.30 -0.75 -3.33 0.00 0.00 175.10 171.73 3gfu s LYS 115 N 1.02 4.04 -0.23 1.54 2.20 -0.12 -0.45 119.74 127.74 3gfu s LYS 115 Ca -0.09 -0.06 -0.08 0.00 -0.36 0.00 0.00 55.97 55.38 3gfu s LYS 115 Cb -0.14 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 3gfu s LYS 115 CO -0.00 -0.15 0.08 0.08 -0.36 0.00 0.00 175.35 175.00 3gfu s VAL 116 N 1.68 4.57 -0.16 4.02 1.01 0.13 -1.10 120.40 130.54 3gfu s VAL 116 Ca 0.13 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 3gfu s VAL 116 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3gfu s VAL 116 CO 0.09 0.37 0.45 0.20 0.00 0.00 0.00 175.10 176.21 3gfu s ASN 117 N 1.19 6.58 0.15 3.32 0.01 -0.77 -1.31 114.94 124.11 3gfu s ASN 117 Ca 0.05 0.69 -0.01 0.00 -0.71 0.00 0.00 52.86 52.88 3gfu s ASN 117 Cb -0.14 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3gfu s ASN 117 CO 0.04 -0.05 0.08 0.00 -1.51 0.00 0.00 177.10 175.65 3gfu s ALA 118 N 1.00 0.92 0.06 0.60 0.00 0.24 -4.55 121.76 120.03 3gfu s ALA 118 Ca 0.23 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.76 3gfu s ALA 118 Cb -0.15 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3gfu s ALA 118 CO 0.09 -0.51 -0.22 -1.12 0.00 0.00 0.00 175.76 173.99 3gfu s SER 119 N -3.07 2.69 0.06 0.00 0.01 0.34 -1.05 113.70 112.67 3gfu s SER 119 Ca 0.27 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 3gfu s SER 119 Cb 0.07 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3gfu s SER 119 CO 0.04 0.16 0.09 -0.72 0.41 0.00 0.00 173.24 173.21 3gfu s TYR 120 N -0.90 0.28 0.05 2.43 1.13 0.05 -0.82 117.35 119.56 3gfu s TYR 120 Ca 0.09 -0.71 -0.24 0.00 -1.41 0.00 0.00 57.07 54.80 3gfu s TYR 120 Cb -0.09 -0.19 0.06 0.00 -1.10 0.00 0.00 41.96 40.63 3gfu s TYR 120 CO 0.03 -0.43 0.55 0.00 -2.51 0.00 0.00 175.55 173.19 3gfu s ALA 121 N -3.43 -1.43 0.05 9.51 0.00 -0.62 -4.62 121.76 121.23 3gfu s ALA 121 Ca 0.02 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3gfu s ALA 121 Cb 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3gfu s ALA 121 CO -0.08 -0.52 -0.17 0.20 0.00 0.00 0.00 175.76 175.19 3gfu s GLY 122 N -1.96 0.96 -0.02 0.00 0.00 -1.25 -1.23 107.32 103.83 3gfu s GLY 122 Ca -0.05 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.63 3gfu s GLY 122 CO -0.02 -0.95 0.12 0.54 0.00 0.00 0.00 173.10 172.79 3gfu s VAL 123 N -0.94 0.05 -0.06 1.40 0.11 -0.08 -0.04 120.40 120.85 3gfu s VAL 123 Ca 0.03 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 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 -0.24 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.28 3gfu s LEU 124 N -0.82 1.15 0.05 2.54 0.20 -0.47 -0.99 118.68 120.34 3gfu s LEU 124 Ca -0.09 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.58 3gfu s LEU 124 Cb -0.05 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 3gfu s LEU 124 CO 0.01 -0.09 0.14 -0.83 -0.29 0.00 0.00 176.35 175.28 3gfu s GLY 125 N 1.25 2.10 -0.16 7.98 0.00 0.11 -0.75 107.32 117.85 3gfu s GLY 125 Ca -0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 3gfu s GLY 125 CO -0.02 -0.85 0.38 -1.60 0.00 0.00 0.00 173.10 171.01 3gfu s ARG 126 N -2.25 0.33 -0.03 2.90 3.52 -0.17 -1.39 118.95 121.85 3gfu s ARG 126 Ca 0.30 0.79 -0.12 0.00 -0.13 0.00 0.00 55.73 56.57 3gfu s ARG 126 Cb -0.12 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 3gfu s ARG 126 CO 0.22 -0.19 0.27 0.20 -0.81 0.00 0.00 175.30 175.00 3gfu s GLY 127 N 1.68 -0.13 0.00 8.12 0.00 -0.84 -0.21 107.32 115.94 3gfu s GLY 127 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3gfu s GLY 127 CO -0.12 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.76 3gfu n GLY 128 N 1.68 3.61 0.03 0.20 0.00 -1.26 -1.31 105.19 108.14 3gfu n GLY 128 Ca -0.20 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.81 3gfu n GLY 128 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gfu n VAL 129 N -0.34 0.18 -0.48 1.61 0.31 -1.02 -4.38 118.33 114.21 3gfu n VAL 129 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3gfu n VAL 129 Cb 0.00 0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 3gfu n VAL 129 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gfu n THR 130 N -1.94 0.40 -5.07 2.52 -2.24 -1.26 -4.84 114.28 101.85 3gfu n THR 130 Ca 0.02 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 3gfu n THR 130 Cb 0.43 0.92 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 3gfu n THR 130 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gfu s SER 131 N -0.40 3.47 0.27 3.42 0.01 -1.26 -5.01 113.70 114.20 3gfu s SER 131 Ca 0.00 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 56.93 3gfu s SER 131 Cb 0.00 -1.20 0.34 0.00 0.21 0.00 0.00 66.02 65.36 3gfu s SER 131 CO 0.00 0.21 1.60 0.00 0.41 0.00 0.00 173.24 175.47 3gfu h ALA 132 N 6.31 0.96 -2.53 1.44 0.00 -1.93 -3.39 119.26 120.12 3gfu h ALA 132 Ca -0.29 -0.57 -0.62 0.00 0.00 0.00 0.00 54.91 53.43 3gfu h ALA 132 Cb 1.20 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 3gfu h ALA 132 CO 0.50 0.78 -0.01 -0.51 0.00 0.00 0.00 179.25 180.01 3gfu s ASP 133 N -6.85 6.41 0.62 0.00 1.01 -1.26 -1.28 116.67 115.31 3gfu s ASP 133 Ca -0.01 0.37 -0.01 0.00 0.71 0.00 0.00 52.55 53.61 3gfu s ASP 133 Cb 0.13 -2.28 0.09 0.00 1.01 0.00 0.00 42.92 41.86 3gfu s ASP 133 CO 0.77 -0.36 0.59 0.61 0.21 0.00 0.00 175.17 176.99 3gfu n GLY 134 N 4.51 0.56 3.25 0.21 0.00 0.10 -4.87 105.19 108.95 3gfu n GLY 134 Ca -0.04 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.01 1.31 -0.10 1.61 2.02 0.71 0.10 118.70 120.34 3gfu s GLU 135 Ca 0.39 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3gfu s GLU 135 Cb -0.02 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.76 3gfu s GLU 135 CO 0.26 0.36 -0.20 -1.17 0.02 0.00 0.00 175.26 174.53 3gfu s LEU 136 N -1.34 1.95 0.05 1.80 2.96 0.59 -1.00 118.68 123.68 3gfu s LEU 136 Ca 0.07 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3gfu s LEU 136 Cb -0.09 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3gfu s LEU 136 CO 0.02 0.11 -0.10 -1.48 -1.32 0.00 0.00 176.35 173.58 3gfu s LEU 137 N 0.53 2.23 -0.00 -0.68 2.34 0.07 -2.16 118.68 121.02 3gfu s LEU 137 Ca -0.15 -0.52 -0.21 0.00 0.06 0.00 0.00 54.13 53.30 3gfu s LEU 137 Cb -0.17 -0.31 -0.05 0.00 -0.56 0.00 0.00 46.19 45.09 3gfu s LEU 137 CO 0.06 -0.12 0.61 -0.55 -1.06 0.00 0.00 176.35 175.28 3gfu s SER 138 N -1.46 6.99 -0.16 1.48 0.15 -1.26 -1.37 113.70 118.07 3gfu s SER 138 Ca -0.06 1.18 -0.21 0.00 0.70 0.00 0.00 55.95 57.57 3gfu s SER 138 Cb -0.09 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 3gfu s SER 138 CO 0.01 0.09 0.61 -0.76 1.20 0.00 0.00 173.24 174.40 3gfu s LEU 139 N -0.17 4.20 -0.56 3.45 1.43 0.95 -1.67 118.68 126.32 3gfu s LEU 139 Ca 0.32 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.37 3gfu s LEU 139 Cb -0.18 -2.89 0.22 0.00 0.03 0.00 0.00 46.19 43.37 3gfu s LEU 139 CO 0.18 -0.19 0.57 0.49 0.23 0.00 0.00 176.35 177.62 3gfu n PHE 140 N 4.54 1.83 0.10 0.29 3.72 -1.26 -3.77 117.46 122.91 3gfu n PHE 140 Ca -0.02 -3.91 -0.07 0.00 -0.05 0.00 0.00 57.45 53.40 3gfu n PHE 140 Cb 0.50 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.56 3.67 -2.76 4.37 0.00 -0.67 -4.76 120.51 121.93 3gfu n ALA 141 Ca 0.25 -0.79 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 3gfu n ALA 141 Cb 0.44 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 0.59 5.46 0.04 0.00 0.01 -1.26 -4.93 113.70 113.60 3gfu s SER 145 Ca 0.15 -0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.22 3gfu s SER 145 Cb 0.13 -1.45 0.03 0.00 0.21 0.00 0.00 66.02 64.94 3gfu s SER 145 CO 0.02 0.17 0.37 -0.55 0.41 0.00 0.00 173.24 173.67 3gfu s SER 146 N -2.37 -0.23 0.06 2.44 0.15 -1.26 -4.53 113.70 107.96 3gfu s SER 146 Ca 0.29 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 3gfu s SER 146 Cb -0.12 0.39 -0.17 0.00 -1.71 0.00 0.00 66.02 64.41 3gfu s SER 146 CO 0.21 -0.62 1.56 0.40 1.20 0.00 0.00 173.24 175.99 3gfu h ILE 147 N 3.16 0.68 -2.59 6.45 1.08 -1.30 -3.43 117.51 121.57 3gfu h ILE 147 Ca -0.31 -0.18 -0.61 0.00 -0.39 0.00 0.00 64.86 63.37 3gfu h ILE 147 Cb 1.20 0.78 -0.14 0.00 -3.07 0.00 0.00 36.82 35.59 3gfu h ILE 147 CO 0.44 0.04 -0.75 -0.36 -0.69 0.00 0.00 178.15 176.83 3gfu s PHE 148 N -5.72 2.44 -0.28 1.37 0.08 -1.26 -5.05 117.98 109.56 3gfu s PHE 148 Ca -0.15 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.65 3gfu s PHE 148 Cb 0.04 -1.12 0.12 0.00 -0.57 0.00 0.00 43.02 41.49 3gfu s PHE 148 CO 0.62 0.61 1.09 0.66 -0.10 0.00 0.00 175.22 178.10 3gfu n TYR 149 N -0.34 0.16 -3.20 0.36 4.01 -1.26 -4.72 117.16 112.17 3gfu n TYR 149 Ca -0.08 -0.54 -0.23 0.00 -0.16 0.00 0.00 57.90 56.89 3gfu n TYR 149 Cb 0.58 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.57 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 -0.26 -0.51 3.64 2.72 0.00 -1.22 -1.65 105.19 107.90 3gfu n GLY 150 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.38 0.55 3.76 -0.02 0.00 -1.19 -4.75 105.19 102.17 3gfu n GLY 151 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 4.48 0.68 0.99 1.02 -0.66 -4.44 118.68 120.75 3gfu s LEU 152 Ca 0.00 2.50 -0.15 0.00 0.02 0.00 0.00 54.13 56.50 3gfu s LEU 152 Cb 0.00 -3.64 0.01 0.00 0.02 0.00 0.00 46.19 42.58 3gfu s LEU 152 CO 0.00 -0.36 1.15 -2.16 0.02 0.00 0.00 176.35 175.00 3gfu s PRO 153 N -1.65 2.56 0.00 1.29 0.05 -1.26 -4.95 135.00 131.04 3gfu s PRO 153 Ca 0.47 1.55 0.08 0.00 0.05 0.00 0.00 61.00 63.15 3gfu s PRO 153 Cb -0.36 -1.91 -0.02 0.00 0.05 0.00 0.00 34.50 32.26 3gfu s PRO 153 CO 0.48 -1.47 -0.24 -0.98 0.05 0.00 0.00 177.00 174.84 3gfu s ARG 154 N -3.98 1.88 0.00 4.56 1.70 -1.26 -4.67 118.95 117.19 3gfu s ARG 154 Ca 0.70 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3gfu s ARG 154 Cb -0.24 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.25 3gfu s ARG 154 CO 0.42 0.51 0.00 0.41 -1.08 0.00 0.00 175.30 175.56 3gfu n GLY 155 N 2.27 0.60 0.28 3.88 0.00 -1.26 -4.93 105.19 106.02 3gfu n GLY 155 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 3gfu n GLY 155 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gfu n SER 156 N 0.00 2.26 -4.53 1.61 3.41 -1.26 -4.83 113.62 110.27 3gfu n SER 156 Ca 0.00 -1.87 -0.37 0.00 -0.26 0.00 0.00 58.87 56.37 3gfu n SER 156 Cb 0.00 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3gfu n SER 156 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gfu n GLU 157 N 0.02 0.62 -1.73 4.33 4.71 -1.26 -0.64 120.64 126.69 3gfu n GLU 157 Ca 0.05 0.25 -0.42 0.00 -0.01 0.00 0.00 57.16 57.03 3gfu n GLU 157 Cb 0.30 -1.93 -0.00 0.00 -1.01 0.00 0.00 31.44 28.80 3gfu n GLU 157 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gfu n LEU 158 N -0.25 4.08 0.02 -4.62 4.77 -1.26 -4.17 117.00 115.58 3gfu n LEU 158 Ca 0.12 1.20 -0.06 0.00 -0.03 0.00 0.00 56.01 57.24 3gfu n LEU 158 Cb 0.48 -1.54 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 3gfu n LEU 158 CO 0.50 -0.28 -0.23 0.77 -1.33 0.00 0.00 177.39 176.81 3gfu h SER 159 N 2.60 0.00 -3.18 -1.43 4.64 -1.93 -3.44 113.55 110.81 3gfu h SER 159 Ca -0.48 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 3gfu h SER 159 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 3gfu h SER 159 CO 0.63 0.90 -0.14 0.00 -0.87 0.00 0.00 176.83 177.35 3gfu s ALA 160 N -2.71 3.59 0.19 5.18 0.00 -1.26 -4.48 121.76 122.27 3gfu s ALA 160 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 3gfu s ALA 160 Cb 0.09 -2.54 0.14 0.00 0.00 0.00 0.00 23.12 20.80 3gfu s ALA 160 CO 0.82 0.29 1.83 0.78 0.00 0.00 0.00 175.76 179.47 3gfu h GLY 161 N 5.39 0.83 1.16 0.00 0.00 -1.84 -1.90 103.07 106.72 3gfu h GLY 161 Ca -0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3gfu h GLY 161 CO 0.67 0.22 0.47 1.76 0.00 0.00 0.00 176.54 179.67 3gfu h SER 162 N 0.70 0.98 -0.55 0.19 0.02 -1.93 0.25 113.55 113.21 3gfu h SER 162 Ca 0.24 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 3gfu h SER 162 Cb 0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3gfu h SER 162 CO -0.10 0.77 0.16 0.00 -1.14 0.00 0.00 176.83 176.51 3gfu h ALA 163 N 1.40 0.72 -0.27 3.77 0.00 -1.93 -0.56 119.26 122.40 3gfu h ALA 163 Ca 0.29 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3gfu h ALA 163 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gfu h ALA 163 CO -0.05 0.40 -0.40 0.00 0.00 0.00 0.00 179.25 179.20 3gfu h ALA 164 N 1.03 0.79 -0.33 0.00 0.00 -0.46 -2.50 119.26 117.79 3gfu h ALA 164 Ca 0.18 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3gfu h ALA 164 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gfu h ALA 164 CO -0.00 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.59 3gfu h ALA 165 N 1.03 0.83 -0.86 0.00 0.00 -0.41 -1.73 119.26 118.12 3gfu h ALA 165 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3gfu h ALA 165 Cb 0.92 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3gfu h ALA 165 CO 0.08 0.64 0.54 0.00 0.00 0.00 0.00 179.25 180.51 3gfu h ALA 166 N 1.05 1.16 -0.40 0.00 0.00 -0.83 -1.38 119.26 118.87 3gfu h ALA 166 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3gfu h ALA 166 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3gfu h ALA 166 CO 0.07 0.32 -0.07 -0.09 0.00 0.00 0.00 179.25 179.49 3gfu h ARG 167 N 1.01 0.75 -0.44 0.00 2.43 -1.13 -0.37 114.38 116.63 3gfu h ARG 167 Ca 0.36 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3gfu h ARG 167 Cb 0.11 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3gfu h ARG 167 CO -0.15 0.87 0.24 1.79 -1.51 0.00 0.00 179.97 181.21 3gfu h THR 168 N 0.56 1.16 -0.40 0.20 1.35 -1.01 -2.11 112.91 112.67 3gfu h THR 168 Ca 0.10 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 3gfu h THR 168 Cb 0.58 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 3gfu h THR 168 CO 0.03 0.17 0.21 0.50 -0.25 0.00 0.00 175.52 176.18 3gfu h LYS 169 N 0.58 0.41 -0.94 4.72 1.63 -0.97 0.18 116.57 122.19 3gfu h LYS 169 Ca 0.16 -0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.08 3gfu h LYS 169 Cb 0.06 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 31.50 3gfu h LYS 169 CO -0.02 0.27 0.54 1.25 -3.45 0.00 0.00 179.45 178.04 3gfu h LEU 170 N 0.43 0.72 -0.34 5.20 5.85 -0.60 -0.10 115.31 126.47 3gfu h LEU 170 Ca 0.17 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3gfu h LEU 170 Cb 0.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gfu h LEU 170 CO -0.10 0.31 -0.12 0.49 -0.34 0.00 0.00 178.44 178.68 3gfu n PHE 171 N -4.77 0.00 0.00 1.25 3.72 -0.83 -4.92 117.46 111.91 3gfu n PHE 171 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3gfu n PHE 171 Cb 0.45 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.27 0.91 0.00 1.37 0.00 -0.05 -4.61 105.19 104.09 3gfu n GLY 172 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -4.78 1.61 2.88 0.61 -4.97 113.62 108.97 3gfu n SER 173 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 3gfu n SER 173 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 4.24 0.63 2.46 1.43 -1.26 -3.96 118.68 122.22 3gfu s LEU 174 Ca 0.00 1.99 -0.05 0.00 -1.03 0.00 0.00 54.13 55.05 3gfu s LEU 174 Cb 0.00 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 42.17 3gfu s LEU 174 CO 0.00 -0.32 0.92 -0.94 0.23 0.00 0.00 176.35 176.24 3gfu s SER 175 N -1.52 5.20 0.23 2.29 1.04 -1.26 -2.54 113.70 117.14 3gfu s SER 175 Ca 0.54 0.47 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3gfu s SER 175 Cb -0.22 -1.30 0.30 0.00 0.10 0.00 0.00 66.02 64.90 3gfu s SER 175 CO 0.27 -1.30 1.82 -0.09 0.98 0.00 0.00 173.24 174.93 3gfu h ARG 176 N -0.30 0.78 -0.32 4.02 2.43 -1.93 -0.60 114.38 118.46 3gfu h ARG 176 Ca -0.44 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 3gfu h ARG 176 Cb 1.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3gfu h ARG 176 CO 0.59 0.51 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.92 3gfu h ASP 177 N 0.80 0.59 -0.37 -3.80 3.32 -1.98 -0.48 116.42 114.51 3gfu h ASP 177 Ca 0.34 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3gfu h ASP 177 Cb 0.21 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3gfu h ASP 177 CO -0.19 0.80 0.16 0.44 -1.72 0.00 0.00 179.24 178.73 3gfu h ASP 178 N 0.53 0.51 -0.16 6.45 3.32 -1.72 0.09 116.42 125.43 3gfu h ASP 178 Ca 0.08 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3gfu h ASP 178 Cb 0.65 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3gfu h ASP 178 CO 0.05 0.53 0.09 0.40 -1.72 0.00 0.00 179.24 178.58 3gfu h ILE 179 N 0.46 1.10 -0.52 0.35 2.04 -0.61 0.13 117.51 120.46 3gfu h ILE 179 Ca 0.13 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3gfu h ILE 179 Cb 0.17 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3gfu h ILE 179 CO -0.01 0.09 0.19 0.25 0.00 0.00 0.00 178.15 178.67 3gfu h LEU 180 N 0.16 0.19 -0.73 1.44 5.85 -0.99 -1.88 115.31 119.34 3gfu h LEU 180 Ca 0.06 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3gfu h LEU 180 Cb 0.07 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3gfu h LEU 180 CO -0.01 0.13 0.40 1.23 -0.34 0.00 0.00 178.44 179.86 3gfu h GLY 181 N 0.37 1.10 0.80 3.75 0.00 -0.35 0.12 103.07 108.85 3gfu h GLY 181 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3gfu h GLY 181 CO -0.25 0.13 0.02 1.46 0.00 0.00 0.00 176.54 177.89 3gfu h GLN 182 N 0.70 0.12 -0.71 4.80 4.20 -0.45 -1.90 115.11 121.87 3gfu h GLN 182 Ca 0.34 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 3gfu h GLN 182 Cb 0.29 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3gfu h GLN 182 CO -0.22 0.32 0.43 0.82 -0.67 0.00 0.00 178.83 179.51 3gfu h ILE 183 N -0.10 1.20 -0.21 2.54 2.04 -1.11 -2.74 117.51 119.13 3gfu h ILE 183 Ca 0.02 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3gfu h ILE 183 Cb 0.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3gfu h ILE 183 CO 0.00 0.21 -0.01 -0.61 0.00 0.00 0.00 178.15 177.74 3gfu h GLN 184 N 0.97 0.30 -0.16 2.37 4.15 -0.63 0.28 115.11 122.40 3gfu h GLN 184 Ca 0.25 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 3gfu h GLN 184 Cb -0.04 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3gfu h GLN 184 CO -0.05 0.34 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.00 3gfu h ARG 185 N 0.30 0.25 0.00 1.69 9.65 -1.03 -2.67 114.38 122.57 3gfu h ARG 185 Ca 0.07 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.68 3gfu h ARG 185 Cb 0.23 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3gfu h ARG 185 CO 0.01 0.37 -1.28 0.28 2.80 0.00 0.00 179.97 182.15 3gfu n VAL 186 N -4.29 1.51 -3.71 0.20 0.31 -0.68 -4.76 118.33 106.92 3gfu n VAL 186 Ca -0.01 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.93 3gfu n VAL 186 Cb 0.25 -2.09 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 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 -6.71 5.35 0.35 4.52 0.01 0.91 -4.96 114.94 114.41 3gfu s ASN 187 Ca -0.28 -2.45 0.25 0.00 -0.71 0.00 0.00 52.86 49.67 3gfu s ASN 187 Cb 0.06 -1.88 1.26 0.00 0.41 0.00 0.00 41.25 41.10 3gfu s ASN 187 CO 0.51 -0.48 1.75 0.00 -1.51 0.00 0.00 177.10 177.37 3gfu h ALA 188 N 7.58 1.00 0.00 0.60 0.00 -1.72 -2.40 119.26 124.33 3gfu h ALA 188 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gfu h ALA 188 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gfu h ALA 188 CO 0.73 0.00 0.00 -2.95 0.00 0.00 0.00 179.25 177.03 3gfu h ASN 189 N 0.00 0.00 -3.10 0.00 -1.07 -1.88 -3.43 115.58 106.10 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 0.10 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.30 3gfu h ASN 189 CO 0.00 0.00 0.91 -0.69 0.07 0.00 0.00 177.43 177.72 3gfu s VAL 190 N -3.32 4.31 -0.02 6.14 1.01 -0.90 -4.22 120.40 123.40 3gfu s VAL 190 Ca 0.06 1.53 0.12 0.00 0.00 0.00 0.00 61.98 63.69 3gfu s VAL 190 Cb 0.09 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 3gfu s VAL 190 CO 0.56 -0.35 0.26 0.35 0.00 0.00 0.00 175.10 175.92 3gfu n THR 191 N 5.80 0.03 -3.99 3.92 -2.24 -0.41 -4.72 114.28 112.68 3gfu n THR 191 Ca 0.14 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3gfu n THR 191 Cb 0.46 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 -3.44 -0.06 -0.17 3.42 1.04 -1.18 -5.06 113.70 108.25 3gfu s SER 192 Ca -0.04 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.46 3gfu s SER 192 Cb 0.08 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3gfu s SER 192 CO 0.50 -1.06 -0.16 -0.76 0.98 0.00 0.00 173.24 172.74 3gfu s LEU 193 N -3.01 1.99 0.01 2.42 1.43 -1.26 0.02 118.68 120.27 3gfu s LEU 193 Ca 0.22 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 3gfu s LEU 193 Cb 0.01 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 3gfu s LEU 193 CO 0.07 -0.04 0.60 -0.69 0.23 0.00 0.00 176.35 176.52 3gfu s VAL 194 N 1.38 4.87 0.20 -1.59 1.01 0.11 -4.61 120.40 121.78 3gfu s VAL 194 Ca 0.04 1.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 3gfu s VAL 194 Cb -0.13 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3gfu s VAL 194 CO -0.11 0.44 1.50 -1.81 0.00 0.00 0.00 175.10 175.11 3gfu s ASP 195 N -0.32 6.62 0.00 3.32 1.11 -1.26 -0.30 116.67 125.84 3gfu s ASP 195 Ca 0.31 2.63 0.00 0.00 0.18 0.00 0.00 52.55 55.67 3gfu s ASP 195 Cb -0.19 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.20 3gfu s ASP 195 CO 0.18 -0.76 0.00 1.33 1.18 0.00 0.00 175.17 177.09 3gfu n VAL 196 N 3.19 0.00 -3.55 -1.27 0.24 -0.92 -4.87 118.33 111.14 3gfu n VAL 196 Ca 0.10 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.14 3gfu n VAL 196 Cb 0.39 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3gfu n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gfu s ASP 208 N 1.00 6.37 -0.50 -1.34 -1.08 -1.26 -5.03 116.67 114.82 3gfu s ASP 208 Ca 0.00 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.49 3gfu s ASP 208 Cb 0.00 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 3gfu s ASP 208 CO 0.00 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.15 3gfu n GLY 209 N -1.09 0.41 3.68 2.66 0.00 -1.26 -2.44 105.19 107.15 3gfu n GLY 209 Ca -0.04 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 3gfu n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gfu n ASN 210 N 1.05 3.54 -4.03 1.61 4.05 -1.26 -4.57 115.26 115.65 3gfu n ASN 210 Ca -0.06 1.01 -0.28 0.00 0.45 0.00 0.00 54.58 55.70 3gfu n ASN 210 Cb 0.40 -1.45 -0.17 0.00 1.23 0.00 0.00 39.78 39.79 3gfu n ASN 210 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3gfu s VAL 211 N 2.55 1.42 0.09 3.44 1.01 -0.43 -1.25 120.40 127.23 3gfu s VAL 211 Ca 0.84 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3gfu s VAL 211 Cb -0.61 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3gfu s VAL 211 CO 0.42 0.43 -0.17 0.68 0.00 0.00 0.00 175.10 176.46 3gfu s VAL 212 N 1.16 2.90 -0.00 2.92 -7.23 0.71 -1.99 120.40 118.86 3gfu s VAL 212 Ca -0.03 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3gfu s VAL 212 Cb -0.14 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 3gfu s VAL 212 CO -0.04 0.17 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.31 3gfu s SER 213 N -1.95 0.73 0.07 4.85 0.15 -0.49 -1.11 113.70 115.94 3gfu s SER 213 Ca 0.17 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.62 3gfu s SER 213 Cb -0.11 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 3gfu s SER 213 CO 0.09 0.07 0.19 0.00 1.20 0.00 0.00 173.24 174.80 3gfu s ALA 214 N -0.16 -0.29 0.04 5.45 0.00 -1.26 0.08 121.76 125.62 3gfu s ALA 214 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 3gfu s ALA 214 Cb -0.02 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 3gfu s ALA 214 CO -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 175.76 175.39 3gfu s ALA 215 N -3.26 0.01 -0.03 0.00 0.00 -0.16 -1.15 121.76 117.16 3gfu s ALA 215 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3gfu s ALA 215 Cb 0.02 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3gfu s ALA 215 CO -0.08 -0.30 0.09 -0.47 0.00 0.00 0.00 175.76 175.00 3gfu s TYR 216 N -2.59 -0.07 -0.13 0.00 6.04 0.35 -0.90 117.35 120.04 3gfu s TYR 216 Ca -0.05 0.18 -0.07 0.00 0.04 0.00 0.00 57.07 57.17 3gfu s TYR 216 Cb -0.01 0.02 0.05 0.00 -1.04 0.00 0.00 41.96 40.98 3gfu s TYR 216 CO -0.05 -0.07 0.31 0.00 -1.54 0.00 0.00 175.55 174.21 3gfu s ALA 217 N -0.12 -0.77 -0.07 3.97 0.00 -0.37 -1.42 121.76 122.98 3gfu s ALA 217 Ca -0.02 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3gfu s ALA 217 Cb -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3gfu s ALA 217 CO 0.00 -0.26 -0.12 -1.17 0.00 0.00 0.00 175.76 174.21 3gfu s LEU 218 N 1.40 1.63 0.25 0.00 2.96 -0.14 -1.59 118.68 123.20 3gfu s LEU 218 Ca -0.09 -0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 3gfu s LEU 218 Cb -0.10 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.78 3gfu s LEU 218 CO -0.10 0.03 0.84 -0.83 -1.32 0.00 0.00 176.35 174.96 3gfu s GLY 219 N 0.74 -0.04 -0.31 7.98 0.00 -0.00 0.57 107.32 116.26 3gfu s GLY 219 Ca -0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 3gfu s GLY 219 CO 0.03 0.13 0.19 -0.42 0.00 0.00 0.00 173.10 173.03 3gfu s ILE 220 N -3.29 5.08 0.46 0.90 1.01 0.33 0.12 121.20 125.81 3gfu s ILE 220 Ca 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 3gfu s ILE 220 Cb -0.04 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 3gfu s ILE 220 CO 0.06 0.11 0.93 0.00 0.00 0.00 0.00 174.94 176.04 3gfu s ALA 221 N 1.70 3.11 -0.26 9.38 0.00 -1.26 -0.16 121.76 134.27 3gfu s ALA 221 Ca 0.06 0.20 -0.40 0.00 0.00 0.00 0.00 51.96 51.82 3gfu s ALA 221 Cb -0.17 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.74 3gfu s ALA 221 CO 0.09 -0.06 1.73 -1.71 0.00 0.00 0.00 175.76 175.81 3gfu n ASN 222 N -1.19 2.37 0.00 0.00 2.85 -1.05 -1.39 115.26 116.86 3gfu n ASN 222 Ca 0.06 1.07 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 3gfu n ASN 222 Cb 0.54 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 40.41 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 4.12 1.28 3.79 8.20 0.00 0.45 -4.92 105.19 118.12 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 -0.72 3.26 0.18 1.61 -0.21 -0.48 -4.64 119.66 118.65 3gfu s GLN 224 Ca 0.00 1.34 0.07 0.00 0.02 0.00 0.00 55.36 56.79 3gfu s GLN 224 Cb 0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 3gfu s GLN 224 CO 0.00 -0.88 0.06 0.95 -2.12 0.00 0.00 175.29 173.30 3gfu s THR 225 N -2.25 4.03 -0.19 -0.19 -4.23 -1.26 -1.82 115.64 109.73 3gfu s THR 225 Ca 0.66 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3gfu s THR 225 Cb -0.18 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 3gfu s THR 225 CO 0.34 -0.15 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.59 3gfu s ILE 226 N -1.81 3.49 -0.32 2.99 1.01 -0.07 -1.85 121.20 124.63 3gfu s ILE 226 Ca 0.29 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 3gfu s ILE 226 Cb -0.09 -2.56 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3gfu s ILE 226 CO 0.21 0.45 0.06 -1.61 0.00 0.00 0.00 174.94 174.05 3gfu s GLU 227 N 1.03 2.46 -0.14 2.79 2.02 -0.26 -0.49 118.70 126.10 3gfu s GLU 227 Ca 0.01 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 53.59 3gfu s GLU 227 Cb -0.15 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.72 3gfu s GLU 227 CO 0.00 -0.68 0.25 0.00 0.02 0.00 0.00 175.26 174.86 3gfu s ALA 228 N 1.30 3.67 -0.20 5.21 0.00 0.12 -0.95 121.76 130.91 3gfu s ALA 228 Ca -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3gfu s ALA 228 Cb -0.20 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.68 3gfu s ALA 228 CO 0.00 0.24 -0.09 0.99 0.00 0.00 0.00 175.76 176.90 3gfu s THR 229 N 0.02 1.57 -0.10 0.00 2.01 0.36 -1.52 115.64 117.98 3gfu s THR 229 Ca 0.16 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 3gfu s THR 229 Cb -0.13 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 3gfu s THR 229 CO 0.04 0.13 0.50 -0.36 -0.69 0.00 0.00 174.62 174.24 3gfu s PHE 230 N 1.42 3.54 -0.24 4.92 0.08 0.49 -0.79 117.98 127.40 3gfu s PHE 230 Ca -0.02 0.95 0.18 0.00 0.12 0.00 0.00 56.93 58.16 3gfu s PHE 230 Cb -0.16 -2.56 0.16 0.00 -0.57 0.00 0.00 43.02 39.88 3gfu s PHE 230 CO -0.08 0.20 1.50 -2.95 -0.10 0.00 0.00 175.22 173.79 3gfu h ASN 231 N 6.53 0.00 -4.23 1.36 -0.00 -0.99 -3.43 115.58 114.82 3gfu h ASN 231 Ca -0.42 0.00 -0.61 0.00 -0.00 0.00 0.00 56.30 55.27 3gfu h ASN 231 Cb 1.18 0.00 -0.25 0.00 -0.00 0.00 0.00 38.32 39.26 3gfu h ASN 231 CO 0.74 0.34 -0.85 0.00 -0.00 0.00 0.00 177.43 177.67 3gfu s GLN 232 N -3.05 1.43 0.42 4.14 -2.07 -1.25 -5.07 119.66 114.22 3gfu s GLN 232 Ca 0.05 -1.06 -0.24 0.00 -1.82 0.00 0.00 55.36 52.29 3gfu s GLN 232 Cb 0.07 -1.62 -0.08 0.00 -1.09 0.00 0.00 33.01 30.28 3gfu s GLN 232 CO 0.72 0.41 1.15 0.00 -1.32 0.00 0.00 175.29 176.25 3gfu s ALA 233 N -0.89 3.08 0.35 2.60 0.00 -1.26 -4.87 121.76 120.77 3gfu s ALA 233 Ca 0.09 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.00 3gfu s ALA 233 Cb -0.09 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3gfu s ALA 233 CO 0.03 -0.53 0.13 1.33 0.00 0.00 0.00 175.76 176.72 3gfu n VAL 234 N -0.14 0.00 -4.35 0.00 0.24 -0.71 -5.03 118.33 108.35 3gfu n VAL 234 Ca 0.05 -2.05 -0.19 0.00 -2.04 0.00 0.00 64.34 60.11 3gfu n VAL 234 Cb 0.47 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.51 3gfu n VAL 234 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gfu s THR 235 N -2.89 0.37 -2.00 3.34 -4.23 -1.26 -4.66 115.64 104.32 3gfu s THR 235 Ca 0.19 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3gfu s THR 235 Cb 0.01 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.37 3gfu s THR 235 CO 0.13 0.00 0.36 0.35 -0.54 0.00 0.00 174.62 174.92 3gfu n THR 236 N -0.61 0.00 0.03 3.99 -2.24 -1.26 -1.25 114.28 112.94 3gfu n THR 236 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 3gfu n THR 236 Cb 0.65 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.31 -3.19 3.42 0.87 -1.98 -3.48 113.55 109.51 3gfu h SER 237 Ca 0.00 -0.51 -0.53 0.00 -1.23 0.00 0.00 61.79 59.53 3gfu h SER 237 Cb 0.00 -0.10 0.04 0.00 -0.44 0.00 0.00 62.40 61.90 3gfu h SER 237 CO 0.00 1.43 0.74 -0.89 -0.53 0.00 0.00 176.83 177.59 3gfu s THR 238 N -2.60 2.95 -0.34 2.23 2.01 -0.38 -5.00 115.64 114.51 3gfu s THR 238 Ca -0.11 0.74 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 3gfu s THR 238 Cb 0.07 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3gfu s THR 238 CO 0.83 0.09 0.27 -1.58 -0.69 0.00 0.00 174.62 173.54 3gfu s GLN 239 N 0.32 3.53 0.01 4.92 0.74 -1.26 -4.96 119.66 122.96 3gfu s GLN 239 Ca 0.62 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.44 3gfu s GLN 239 Cb -0.40 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 3gfu s GLN 239 CO 0.37 -0.45 0.17 1.67 -0.55 0.00 0.00 175.29 176.50 3gfu s TRP 240 N 1.79 3.50 -0.03 1.67 1.48 -1.26 -2.25 118.94 123.85 3gfu s TRP 240 Ca 0.07 0.30 0.02 0.00 -1.06 0.00 0.00 56.10 55.44 3gfu s TRP 240 Cb -0.17 -1.79 0.00 0.00 -1.16 0.00 0.00 33.47 30.35 3gfu s TRP 240 CO 0.11 0.62 -0.09 -1.12 -4.06 0.00 0.00 176.95 172.40 3gfu s SER 241 N -2.09 1.23 -0.43 -2.66 0.01 0.42 -4.95 113.70 105.23 3gfu s SER 241 Ca 0.29 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.40 3gfu s SER 241 Cb -0.13 -0.35 0.17 0.00 0.21 0.00 0.00 66.02 65.93 3gfu s SER 241 CO 0.21 0.06 0.35 0.00 0.41 0.00 0.00 173.24 174.27 3gfu s ALA 242 N 0.23 1.54 0.34 1.44 0.00 -1.26 -0.35 121.76 123.70 3gfu s ALA 242 Ca -0.04 -2.53 -0.27 0.00 0.00 0.00 0.00 51.96 49.12 3gfu s ALA 242 Cb -0.09 -1.63 -0.13 0.00 0.00 0.00 0.00 23.12 21.27 3gfu s ALA 242 CO 0.01 -1.98 1.12 -2.30 0.00 0.00 0.00 175.76 172.61 3gfu n PRO 243 N 2.81 1.66 -4.30 0.00 -0.02 -1.26 -5.01 135.00 128.89 3gfu n PRO 243 Ca 0.29 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 62.02 3gfu n PRO 243 Cb 0.47 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.36 2.23 -0.26 2.45 2.96 -1.26 -3.99 118.68 120.45 3gfu s LEU 244 Ca 0.58 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 3gfu s LEU 244 Cb -0.62 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3gfu s LEU 244 CO 0.60 0.03 0.07 0.20 -1.32 0.00 0.00 176.35 175.93 3gfu s ASN 245 N 1.12 5.09 -0.20 3.68 0.01 0.67 -4.99 114.94 120.32 3gfu s ASN 245 Ca 0.01 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 51.74 3gfu s ASN 245 Cb -0.14 -1.91 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 3gfu s ASN 245 CO -0.08 -0.06 0.16 -0.69 -1.51 0.00 0.00 177.10 174.92 3gfu s VAL 246 N 1.59 5.39 -0.16 1.60 1.01 -1.26 -0.30 120.40 128.27 3gfu s VAL 246 Ca 0.06 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3gfu s VAL 246 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3gfu s VAL 246 CO 0.03 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 3gfu s ALA 247 N 0.48 2.38 -0.19 5.51 0.00 0.11 -4.97 121.76 125.06 3gfu s ALA 247 Ca 0.09 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3gfu s ALA 247 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 3gfu s ALA 247 CO -0.00 -0.14 -0.11 0.42 0.00 0.00 0.00 175.76 175.93 3gfu s ILE 248 N 0.98 2.89 -0.22 0.00 1.01 -1.26 -0.04 121.20 124.56 3gfu s ILE 248 Ca -0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3gfu s ILE 248 Cb -0.15 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3gfu s ILE 248 CO -0.04 0.48 -0.02 -0.89 0.00 0.00 0.00 174.94 174.46 3gfu s THR 249 N 1.24 3.59 -0.27 2.92 2.01 -0.59 -5.02 115.64 119.53 3gfu s THR 249 Ca 0.03 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 3gfu s THR 249 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3gfu s THR 249 CO -0.05 0.41 0.31 -0.31 -0.69 0.00 0.00 174.62 174.29 3gfu s TYR 250 N 1.45 3.25 -2.03 4.92 2.02 -1.26 -2.92 117.35 122.78 3gfu s TYR 250 Ca 0.05 0.33 0.32 0.00 -0.37 0.00 0.00 57.07 57.40 3gfu s TYR 250 Cb -0.14 -2.49 1.86 0.00 -0.40 0.00 0.00 41.96 40.78 3gfu s TYR 250 CO -0.01 -0.18 2.20 0.66 -1.57 0.00 0.00 175.55 176.65