#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywh s ARG 2 N 0.00 2.47 0.30 1.96 0.52 -1.26 -1.37 118.95 121.58 1ywh s ARG 2 Ca 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1ywh s ARG 2 Cb 0.00 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.43 1ywh s ARG 2 CO 0.00 0.23 0.10 0.00 0.02 0.00 0.00 175.30 175.65 1ywh s MET 4 N -3.93 4.38 -0.07 0.00 -1.94 -1.26 -0.94 119.30 115.53 1ywh s MET 4 Ca 0.36 1.08 0.05 0.00 -1.71 0.00 0.00 55.69 55.47 1ywh s MET 4 Cb 0.07 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.16 1ywh s MET 4 CO 0.15 0.29 -0.24 -1.14 -0.01 0.00 0.00 175.02 174.06 1ywh s GLN 5 N -2.20 2.66 -0.19 2.03 0.74 -0.17 -2.56 119.66 119.97 1ywh s GLN 5 Ca 0.49 -0.88 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 1ywh s GLN 5 Cb -0.16 -2.17 0.10 0.00 1.10 0.00 0.00 33.01 31.88 1ywh s GLN 5 CO 0.21 0.31 0.30 0.00 -0.55 0.00 0.00 175.29 175.56 1ywh s LYS 7 N 2.45 2.80 0.62 0.00 1.02 -0.43 -2.74 119.74 123.46 1ywh s LYS 7 Ca 0.06 2.04 0.27 0.00 0.02 0.00 0.00 55.97 58.36 1ywh s LYS 7 Cb -0.14 -1.96 1.41 0.00 -0.52 0.00 0.00 37.83 36.62 1ywh s LYS 7 CO -0.12 -1.40 1.82 1.79 -0.92 0.00 0.00 175.35 176.52 1ywh h THR 8 N 0.84 0.19 -0.84 2.17 1.35 -1.90 0.52 112.91 115.24 1ywh h THR 8 Ca -0.51 0.00 0.31 0.00 -0.55 0.00 0.00 66.41 65.67 1ywh h THR 8 Cb 1.32 0.56 -0.11 0.00 -1.73 0.00 0.00 68.15 68.19 1ywh h THR 8 CO 0.55 0.00 0.50 0.59 -0.25 0.00 0.00 175.52 176.91 1ywh n ASN 9 N -3.32 0.19 0.00 5.36 5.03 -1.26 -4.63 115.26 116.63 1ywh n ASN 9 Ca 0.05 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.56 1ywh n ASN 9 Cb 0.64 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1ywh n ASN 9 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ywh n GLY 10 N -1.28 0.74 3.62 7.41 0.00 0.18 -5.04 105.19 110.83 1ywh n GLY 10 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1ywh n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ywh s ASP 11 N -2.47 6.55 0.06 1.61 2.15 -1.24 -4.90 116.67 118.42 1ywh s ASP 11 Ca 0.00 1.12 0.07 0.00 0.43 0.00 0.00 52.55 54.16 1ywh s ASP 11 Cb 0.00 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 1ywh s ASP 11 CO 0.00 -1.20 -0.18 0.00 -0.17 0.00 0.00 175.17 173.62 1ywh s ARG 13 N -1.37 1.23 0.00 0.00 1.70 -0.43 -4.99 118.95 115.08 1ywh s ARG 13 Ca 0.05 -1.26 -0.21 0.00 -0.47 0.00 0.00 55.73 53.83 1ywh s ARG 13 Cb -0.09 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1ywh s ARG 13 CO 0.02 -0.45 0.63 0.08 -1.08 0.00 0.00 175.30 174.50 1ywh s VAL 14 N -4.01 4.88 0.01 4.99 1.01 -1.26 -1.00 120.40 125.01 1ywh s VAL 14 Ca 0.22 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.57 1ywh s VAL 14 Cb 0.03 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1ywh s VAL 14 CO 0.04 0.40 -0.14 -0.70 0.00 0.00 0.00 175.10 174.70 1ywh s GLU 15 N -0.14 2.33 -0.40 2.72 2.12 -0.12 -4.91 118.70 120.30 1ywh s GLU 15 Ca 0.33 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.67 1ywh s GLU 15 Cb -0.19 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 31.89 1ywh s GLU 15 CO 0.18 0.58 0.35 -1.21 -0.54 0.00 0.00 175.26 174.62 1ywh s GLU 16 N -1.25 3.14 0.32 4.30 0.41 -1.26 -2.72 118.70 121.63 1ywh s GLU 16 Ca 0.15 -0.82 -0.29 0.00 -0.41 0.00 0.00 54.97 53.60 1ywh s GLU 16 Cb -0.11 -3.94 -0.11 0.00 -1.78 0.00 0.00 34.13 28.20 1ywh s GLU 16 CO 0.05 -0.72 1.48 0.00 -0.49 0.00 0.00 175.26 175.57 1ywh s ALA 18 N -0.55 2.59 0.28 0.00 0.00 -1.26 -4.73 121.76 118.08 1ywh s ALA 18 Ca 0.57 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1ywh s ALA 18 Cb -0.45 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.16 1ywh s ALA 18 CO 0.53 -1.01 1.26 1.28 0.00 0.00 0.00 175.76 177.82 1ywh n LEU 19 N -1.67 2.83 0.00 0.00 4.77 -1.26 -0.67 117.00 121.01 1ywh n LEU 19 Ca 0.12 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1ywh n LEU 19 Cb 0.51 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ywh n LEU 19 CO 0.44 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1ywh n GLY 20 N 1.48 1.81 3.25 -0.72 0.00 -1.26 -4.97 105.19 104.78 1ywh n GLY 20 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ywh n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ywh s GLN 21 N -0.41 3.50 -0.40 1.61 -0.21 0.16 -1.76 119.66 122.15 1ywh s GLN 21 Ca 0.00 -2.81 0.05 0.00 0.02 0.00 0.00 55.36 52.62 1ywh s GLN 21 Cb 0.00 -4.25 0.51 0.00 1.00 0.00 0.00 33.01 30.27 1ywh s GLN 21 CO 0.00 -1.25 1.60 -0.25 -2.12 0.00 0.00 175.29 173.26 1ywh n ASP 22 N 3.27 4.37 -4.03 5.90 10.43 -1.25 -4.54 116.55 130.70 1ywh n ASP 22 Ca 0.17 -3.76 -0.11 0.00 2.57 0.00 0.00 54.79 53.65 1ywh n ASP 22 Cb 0.42 -0.68 -0.11 0.00 1.84 0.00 0.00 41.12 42.59 1ywh n ASP 22 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ywh s LEU 23 N -3.47 2.27 -0.01 0.64 1.43 -1.22 -4.64 118.68 113.68 1ywh s LEU 23 Ca 0.52 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1ywh s LEU 23 Cb 0.44 -0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 1ywh s LEU 23 CO 0.02 -0.28 0.18 0.00 0.23 0.00 0.00 176.35 176.50 1ywh s ARG 25 N -1.91 1.23 -0.07 0.00 1.70 0.65 -0.69 118.95 119.85 1ywh s ARG 25 Ca 0.27 -1.26 0.04 0.00 -0.47 0.00 0.00 55.73 54.30 1ywh s ARG 25 Cb -0.13 -1.51 0.00 0.00 -0.57 0.00 0.00 34.95 32.75 1ywh s ARG 25 CO 0.18 0.34 -0.20 -0.08 -1.08 0.00 0.00 175.30 174.46 1ywh s THR 26 N -1.33 1.73 -0.20 4.99 -1.32 -0.55 -1.33 115.64 117.64 1ywh s THR 26 Ca 0.10 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.72 1ywh s THR 26 Cb -0.09 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 1ywh s THR 26 CO 0.05 0.49 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.94 1ywh s THR 27 N 0.28 2.78 -0.08 5.08 2.01 0.17 -1.35 115.64 124.53 1ywh s THR 27 Ca -0.13 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1ywh s THR 27 Cb -0.16 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 70.13 1ywh s THR 27 CO 0.06 0.48 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 1ywh s ILE 28 N 1.30 1.83 -0.19 1.82 1.01 0.11 -1.50 121.20 125.60 1ywh s ILE 28 Ca 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1ywh s ILE 28 Cb -0.14 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1ywh s ILE 28 CO -0.06 0.51 -0.13 0.54 0.00 0.00 0.00 174.94 175.80 1ywh s VAL 29 N 0.24 2.75 -0.22 2.92 0.11 -0.77 0.29 120.40 125.72 1ywh s VAL 29 Ca -0.13 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.12 1ywh s VAL 29 Cb -0.16 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1ywh s VAL 29 CO 0.06 0.49 0.08 -0.13 -3.33 0.00 0.00 175.10 172.27 1ywh s ARG 30 N 1.19 3.86 0.32 1.54 3.00 0.49 -1.37 118.95 128.00 1ywh s ARG 30 Ca 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 55.73 55.42 1ywh s ARG 30 Cb -0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 34.95 31.47 1ywh s ARG 30 CO -0.05 0.06 0.25 -0.48 0.00 0.00 0.00 175.30 175.07 1ywh s LEU 31 N 0.97 1.71 -0.27 2.53 -0.00 -0.31 -0.79 118.68 122.53 1ywh s LEU 31 Ca 0.04 -1.71 0.01 0.00 -0.00 0.00 0.00 54.13 52.47 1ywh s LEU 31 Cb -0.14 0.48 0.07 0.00 -0.00 0.00 0.00 46.19 46.60 1ywh s LEU 31 CO 0.03 -1.03 -0.02 0.26 -0.00 0.00 0.00 176.35 175.59 1ywh s TRP 32 N -3.50 2.63 -0.12 3.48 0.52 -1.26 -0.80 118.94 119.89 1ywh s TRP 32 Ca 0.39 -2.03 0.01 0.00 0.02 0.00 0.00 56.10 54.49 1ywh s TRP 32 Cb 0.03 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1ywh s TRP 32 CO 0.25 -0.83 -0.17 -2.00 0.02 0.00 0.00 176.95 174.22 1ywh s GLU 33 N 1.31 3.28 7.43 4.98 2.56 -0.97 -4.98 118.70 132.31 1ywh s GLU 33 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.97 54.21 1ywh s GLU 33 Cb -0.19 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.41 1ywh s GLU 33 CO -0.09 0.20 0.00 0.39 -0.56 0.00 0.00 175.26 175.20 1ywh n GLU 34 N 3.54 0.00 -1.04 4.30 1.02 -1.26 -2.21 120.64 124.98 1ywh n GLU 34 Ca -0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.86 1ywh n GLU 34 Cb 0.53 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.22 1ywh n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ywh n GLY 35 N 0.00 3.91 3.16 0.62 0.00 -1.26 -4.98 105.19 106.64 1ywh n GLY 35 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1ywh n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ywh s GLU 36 N -3.07 0.82 -0.25 1.61 -1.05 -0.94 -5.14 118.70 110.68 1ywh s GLU 36 Ca 0.55 -1.33 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 1ywh s GLU 36 Cb 0.45 -0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1ywh s GLU 36 CO 0.12 -0.06 0.09 -2.00 0.95 0.00 0.00 175.26 174.37 1ywh s GLU 37 N -3.87 3.75 0.08 -4.83 2.12 -1.26 -2.30 118.70 112.39 1ywh s GLU 37 Ca 0.12 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.07 1ywh s GLU 37 Cb 0.06 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1ywh s GLU 37 CO -0.05 -0.14 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.99 1ywh s LEU 38 N 1.51 3.33 -0.02 2.70 1.43 0.02 -4.97 118.68 122.68 1ywh s LEU 38 Ca 0.06 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1ywh s LEU 38 Cb -0.15 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1ywh s LEU 38 CO 0.05 0.19 -0.08 -0.70 0.23 0.00 0.00 176.35 176.04 1ywh s GLU 39 N -2.14 0.80 -0.08 1.70 2.12 -1.26 -1.16 118.70 118.68 1ywh s GLU 39 Ca 0.23 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1ywh s GLU 39 Cb -0.11 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.52 1ywh s GLU 39 CO 0.15 0.14 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.37 1ywh s LEU 40 N 0.02 1.67 -0.09 2.70 1.02 -0.47 -5.01 118.68 118.52 1ywh s LEU 40 Ca -0.00 -0.35 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1ywh s LEU 40 Cb -0.06 -0.94 -0.00 0.00 0.02 0.00 0.00 46.19 45.20 1ywh s LEU 40 CO -0.00 0.03 -0.24 -0.69 0.02 0.00 0.00 176.35 175.47 1ywh s VAL 41 N 0.80 2.08 -0.04 -1.59 1.01 -1.26 -1.85 120.40 119.54 1ywh s VAL 41 Ca -0.11 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1ywh s VAL 41 Cb -0.16 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1ywh s VAL 41 CO 0.02 0.56 -0.11 -0.70 0.00 0.00 0.00 175.10 174.87 1ywh s GLU 42 N 0.21 1.34 0.03 2.72 2.12 -0.56 -3.64 118.70 120.91 1ywh s GLU 42 Ca -0.15 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.84 1ywh s GLU 42 Cb -0.17 -1.18 -0.02 0.00 0.26 0.00 0.00 34.13 33.03 1ywh s GLU 42 CO 0.08 0.09 -0.10 0.15 -0.54 0.00 0.00 175.26 174.93 1ywh s LYS 43 N 0.40 0.69 -0.07 4.30 1.02 -1.11 0.41 119.74 125.39 1ywh s LYS 43 Ca -0.08 -0.62 -0.22 0.00 0.02 0.00 0.00 55.97 55.07 1ywh s LYS 43 Cb -0.12 -0.62 0.07 0.00 -0.52 0.00 0.00 37.83 36.64 1ywh s LYS 43 CO 0.02 0.15 0.97 -1.13 -0.92 0.00 0.00 175.35 174.44 1ywh n SER 44 N 2.03 -0.71 -4.63 2.83 3.41 -0.44 -1.12 113.62 114.98 1ywh n SER 44 Ca -0.18 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 1ywh n SER 44 Cb 0.55 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 1ywh n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ywh s THR 46 N 3.95 2.38 0.07 0.00 -1.32 0.33 -4.92 115.64 116.12 1ywh s THR 46 Ca 0.47 -1.15 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 1ywh s THR 46 Cb -0.11 -2.52 -0.06 0.00 -1.51 0.00 0.00 72.50 68.29 1ywh s THR 46 CO 0.21 0.00 0.49 -1.00 -2.21 0.00 0.00 174.62 172.10 1ywh s HIS 47 N -2.57 3.69 0.44 9.09 3.76 -1.26 -3.38 115.29 125.06 1ywh s HIS 47 Ca 0.53 1.05 0.21 0.00 -0.15 0.00 0.00 55.06 56.70 1ywh s HIS 47 Cb -0.06 -2.34 1.17 0.00 1.11 0.00 0.00 32.58 32.46 1ywh s HIS 47 CO 0.32 0.55 1.84 0.66 -0.85 0.00 0.00 174.74 177.26 1ywh h SER 48 N 4.19 0.34 0.49 1.40 4.64 -1.69 -1.46 113.55 121.46 1ywh h SER 48 Ca -0.50 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ywh h SER 48 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ywh h SER 48 CO 0.64 0.11 0.00 -0.33 -0.87 0.00 0.00 176.83 176.38 1ywh h GLU 49 N 0.32 0.00 -7.48 4.77 3.07 -1.93 -3.47 114.58 109.86 1ywh h GLU 49 Ca 0.50 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.91 1ywh h GLU 49 Cb 1.39 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 29.45 1ywh h GLU 49 CO -0.17 0.00 0.26 0.15 -1.40 0.00 0.00 179.01 177.85 1ywh s LYS 50 N -3.57 0.54 0.15 2.33 -0.14 -0.55 -5.10 119.74 113.40 1ywh s LYS 50 Ca 0.01 0.20 -0.19 0.00 -1.36 0.00 0.00 55.97 54.62 1ywh s LYS 50 Cb 0.09 -1.78 0.05 0.00 -1.68 0.00 0.00 37.83 34.51 1ywh s LYS 50 CO 0.37 -2.59 0.51 0.99 -0.76 0.00 0.00 175.35 173.88 1ywh s THR 51 N -3.24 0.03 0.17 2.17 2.01 -1.26 -5.06 115.64 110.47 1ywh s THR 51 Ca 0.66 -0.34 -0.33 0.00 0.31 0.00 0.00 61.69 61.98 1ywh s THR 51 Cb -0.14 -1.15 -0.14 0.00 0.01 0.00 0.00 72.50 71.09 1ywh s THR 51 CO 0.55 -0.14 1.60 0.59 -0.69 0.00 0.00 174.62 176.52 1ywh n ASN 52 N -0.31 3.24 -4.09 3.53 3.02 -1.26 -4.77 115.26 114.61 1ywh n ASN 52 Ca -0.16 1.08 -0.16 0.00 -0.03 0.00 0.00 54.58 55.32 1ywh n ASN 52 Cb 0.64 -1.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.24 1ywh n ASN 52 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ywh s ARG 53 N 0.89 0.65 -0.06 3.52 0.52 -0.36 -4.73 118.95 119.39 1ywh s ARG 53 Ca 0.78 -0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 55.17 1ywh s ARG 53 Cb -0.65 -0.54 0.02 0.00 0.52 0.00 0.00 34.95 34.30 1ywh s ARG 53 CO 0.37 0.12 0.17 0.99 0.02 0.00 0.00 175.30 176.97 1ywh s THR 54 N -1.15 0.01 -0.10 0.02 2.01 -0.79 0.08 115.64 115.71 1ywh s THR 54 Ca -0.05 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 1ywh s THR 54 Cb -0.09 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.18 1ywh s THR 54 CO 0.01 -0.03 0.25 -0.22 -0.69 0.00 0.00 174.62 173.94 1ywh s LEU 55 N -0.03 0.83 -0.13 4.42 0.20 0.16 0.09 118.68 124.22 1ywh s LEU 55 Ca -0.01 0.52 -0.20 0.00 0.69 0.00 0.00 54.13 55.12 1ywh s LEU 55 Cb -0.02 0.84 0.05 0.00 -0.43 0.00 0.00 46.19 46.63 1ywh s LEU 55 CO 0.00 -0.11 0.52 -0.94 -0.29 0.00 0.00 176.35 175.53 1ywh s SER 56 N 0.49 -0.50 0.15 3.68 1.04 0.12 0.32 113.70 118.99 1ywh s SER 56 Ca -0.03 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.09 1ywh s SER 56 Cb -0.04 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1ywh s SER 56 CO -0.03 -0.33 0.30 -0.72 0.98 0.00 0.00 173.24 173.45 1ywh s TYR 57 N -0.37 0.21 0.37 5.02 -0.85 -0.66 -0.06 117.35 121.00 1ywh s TYR 57 Ca -0.05 -0.58 -0.27 0.00 -0.52 0.00 0.00 57.07 55.64 1ywh s TYR 57 Cb -0.03 0.03 -0.09 0.00 0.38 0.00 0.00 41.96 42.25 1ywh s TYR 57 CO 0.03 -0.70 1.27 1.03 -1.52 0.00 0.00 175.55 175.67 1ywh s ARG 58 N -3.91 4.18 0.00 -3.49 0.52 -1.26 -0.84 118.95 114.15 1ywh s ARG 58 Ca 0.12 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1ywh s ARG 58 Cb 0.03 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1ywh s ARG 58 CO -0.04 -0.30 0.00 0.25 0.02 0.00 0.00 175.30 175.22 1ywh n THR 59 N 0.45 0.00 -1.60 0.02 -2.24 -0.60 -4.57 114.28 105.74 1ywh n THR 59 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1ywh n THR 59 Cb 0.43 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1ywh n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ywh n GLY 60 N 2.00 0.71 0.00 3.38 0.00 -1.26 -4.65 105.19 105.38 1ywh n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ywh n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ywh n LEU 61 N 0.00 0.00 -4.55 0.99 -0.00 -1.26 -5.00 117.00 107.18 1ywh n LEU 61 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 1ywh n LEU 61 Cb 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.82 1ywh n LEU 61 CO 0.00 0.00 0.34 0.29 -0.00 0.00 0.00 177.39 178.02 1ywh n LYS 62 N 0.00 0.78 -4.21 1.96 5.02 -1.26 -5.08 118.16 115.36 1ywh n LYS 62 Ca 0.00 0.30 -0.20 0.00 -2.02 0.00 0.00 58.31 56.39 1ywh n LYS 62 Cb 0.00 -1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 1ywh n LYS 62 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ywh s ILE 63 N -1.56 1.34 0.06 -0.18 -4.36 -1.26 -1.56 121.20 113.67 1ywh s ILE 63 Ca 0.71 -1.40 -0.24 0.00 -0.26 0.00 0.00 60.65 59.46 1ywh s ILE 63 Cb -0.45 -1.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.94 1ywh s ILE 63 CO 0.51 -0.17 0.75 -0.89 0.24 0.00 0.00 174.94 175.38 1ywh s THR 64 N -1.25 4.69 -0.01 8.37 2.01 -0.02 -4.51 115.64 124.93 1ywh s THR 64 Ca 0.01 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.59 1ywh s THR 64 Cb -0.10 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 1ywh s THR 64 CO 0.03 0.40 0.03 -0.94 -0.69 0.00 0.00 174.62 173.45 1ywh s SER 65 N -0.26 0.02 -0.11 3.53 1.04 0.03 -1.66 113.70 116.28 1ywh s SER 65 Ca 0.37 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 1ywh s SER 65 Cb -0.21 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.03 1ywh s SER 65 CO 0.23 -0.08 0.04 -0.22 0.98 0.00 0.00 173.24 174.19 1ywh s LEU 66 N -0.30 0.54 0.07 2.42 2.96 0.15 -0.38 118.68 124.14 1ywh s LEU 66 Ca -0.03 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1ywh s LEU 66 Cb -0.02 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1ywh s LEU 66 CO -0.00 -0.26 -0.15 0.42 -1.32 0.00 0.00 176.35 175.04 1ywh s THR 67 N 2.03 3.03 -0.11 3.68 -4.23 0.15 -0.66 115.64 119.52 1ywh s THR 67 Ca 0.03 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1ywh s THR 67 Cb -0.14 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1ywh s THR 67 CO -0.06 0.24 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.48 1ywh s GLU 68 N -1.76 1.56 0.09 3.99 2.12 0.11 0.09 118.70 124.90 1ywh s GLU 68 Ca 0.17 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.33 1ywh s GLU 68 Cb -0.11 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 1ywh s GLU 68 CO 0.08 -0.26 -0.26 0.14 -0.54 0.00 0.00 175.26 174.43 1ywh s VAL 69 N 1.67 2.29 0.08 3.70 -7.23 -0.46 -1.23 120.40 119.22 1ywh s VAL 69 Ca 0.04 -1.55 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1ywh s VAL 69 Cb -0.13 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1ywh s VAL 69 CO -0.08 0.22 -0.17 0.68 -0.31 0.00 0.00 175.10 175.45 1ywh s VAL 70 N -0.95 1.33 0.16 1.32 -7.23 -1.26 -1.48 120.40 112.29 1ywh s VAL 70 Ca 0.13 -1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 1ywh s VAL 70 Cb -0.10 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.63 1ywh s VAL 70 CO 0.05 -0.14 0.42 0.00 -0.31 0.00 0.00 175.10 175.12 1ywh n GLY 72 N -0.26 5.04 3.42 0.00 0.00 -1.26 -0.12 105.19 112.01 1ywh n GLY 72 Ca -0.12 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1ywh n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ywh s LEU 73 N -3.14 2.47 0.12 0.99 1.43 -1.26 -4.98 118.68 114.32 1ywh s LEU 73 Ca 0.37 -0.53 -0.35 0.00 -1.03 0.00 0.00 54.13 52.59 1ywh s LEU 73 Cb 0.35 -1.43 -0.17 0.00 0.03 0.00 0.00 46.19 44.98 1ywh s LEU 73 CO -0.04 0.24 1.17 0.47 0.23 0.00 0.00 176.35 178.42 1ywh n ASP 74 N 1.41 1.07 -1.26 2.29 9.92 -1.26 -1.35 116.55 127.37 1ywh n ASP 74 Ca -0.16 1.14 -0.05 0.00 -0.53 0.00 0.00 54.79 55.18 1ywh n ASP 74 Cb 0.52 -1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 1ywh n ASP 74 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ywh n LEU 75 N 2.09 -0.38 0.00 0.64 4.77 0.51 -4.70 117.00 119.94 1ywh n LEU 75 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1ywh n LEU 75 Cb 0.20 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1ywh n LEU 75 CO 0.61 -0.25 0.13 0.00 -1.33 0.00 0.00 177.39 176.56 1ywh n ASN 77 N -0.76 0.74 0.09 0.00 4.05 -1.26 -3.13 115.26 114.99 1ywh n ASN 77 Ca 0.00 -0.60 -0.06 0.00 0.45 0.00 0.00 54.58 54.37 1ywh n ASN 77 Cb 0.00 0.10 0.04 0.00 1.23 0.00 0.00 39.78 41.15 1ywh n ASN 77 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 177.26 174.27 1ywh h GLN 78 N 0.72 0.12 -6.92 1.20 3.07 -1.90 -3.45 115.11 107.96 1ywh h GLN 78 Ca 0.00 -0.12 -0.52 0.00 0.09 0.00 0.00 58.65 58.10 1ywh h GLN 78 Cb 0.48 0.03 0.21 0.00 0.08 0.00 0.00 27.48 28.28 1ywh h GLN 78 CO 0.00 0.84 -0.37 0.41 0.09 0.00 0.00 178.83 179.80 1ywh n GLY 79 N 0.69 -1.60 1.00 0.06 0.00 -1.18 -5.04 105.19 99.11 1ywh n GLY 79 Ca -0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1ywh n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ywh n ASN 80 N -2.24 2.34 0.00 1.61 3.02 -1.26 -4.87 115.26 113.85 1ywh n ASN 80 Ca 0.08 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1ywh n ASN 80 Cb 0.54 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1ywh n ASN 80 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ywh n SER 81 N -1.12 0.00 0.00 6.41 7.64 -1.26 -4.95 113.62 120.34 1ywh n SER 81 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ywh n SER 81 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1ywh n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ywh n GLY 82 N 2.95 0.00 0.00 0.23 0.00 -1.26 -5.02 105.19 102.08 1ywh n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ywh n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ywh n ARG 89 N -0.19 2.76 0.00 1.61 3.00 -1.26 -5.08 116.66 117.50 1ywh n ARG 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ywh n ARG 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ywh n ARG 89 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1ywh n SER 90 N -0.74 0.00 -4.51 0.55 3.41 -1.26 -5.15 113.62 105.91 1ywh n SER 90 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1ywh n SER 90 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1ywh n SER 90 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ywh s ARG 91 N -2.00 2.89 0.00 4.33 3.00 -1.26 -4.31 118.95 121.60 1ywh s ARG 91 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 55.73 55.13 1ywh s ARG 91 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.37 1ywh s ARG 91 CO 0.00 0.54 0.00 0.66 0.00 0.00 0.00 175.30 176.50 1ywh n TYR 92 N 2.59 0.00 -1.80 -0.53 4.01 0.03 -4.99 117.16 116.46 1ywh n TYR 92 Ca -0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.14 1ywh n TYR 92 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1ywh n TYR 92 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1ywh s LEU 93 N 0.00 4.39 -0.13 7.72 2.96 -1.26 -4.60 118.68 127.76 1ywh s LEU 93 Ca 0.00 2.63 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 1ywh s LEU 93 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1ywh s LEU 93 CO 0.00 -0.96 1.13 -0.70 -1.32 0.00 0.00 176.35 174.50 1ywh s GLU 94 N 2.91 4.33 0.14 1.98 2.12 -1.26 -1.03 118.70 127.89 1ywh s GLU 94 Ca 0.79 1.54 0.04 0.00 0.36 0.00 0.00 54.97 57.70 1ywh s GLU 94 Cb -0.43 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 1ywh s GLU 94 CO 0.35 -0.51 -0.10 0.00 -0.54 0.00 0.00 175.26 174.46 1ywh s ILE 96 N -3.12 3.48 -0.04 0.00 -1.09 -1.26 0.14 121.20 119.30 1ywh s ILE 96 Ca 0.14 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 59.98 1ywh s ILE 96 Cb 0.01 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1ywh s ILE 96 CO 0.01 0.28 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.39 1ywh s SER 97 N -1.00 0.93 0.16 3.58 0.15 -0.20 -2.58 113.70 114.73 1ywh s SER 97 Ca 0.48 -0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.75 1ywh s SER 97 Cb -0.30 -0.45 0.06 0.00 -1.71 0.00 0.00 66.02 63.62 1ywh s SER 97 CO 0.39 -0.05 0.85 0.00 1.20 0.00 0.00 173.24 175.63 1ywh n GLY 99 N -0.42 0.76 3.69 0.00 0.00 -0.58 -0.92 105.19 107.73 1ywh n GLY 99 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1ywh n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ywh s SER 100 N -2.43 1.89 0.17 1.61 1.04 -1.20 -4.84 113.70 109.94 1ywh s SER 100 Ca 0.00 0.70 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 1ywh s SER 100 Cb 0.00 -1.02 0.12 0.00 0.10 0.00 0.00 66.02 65.23 1ywh s SER 100 CO 0.00 -3.53 1.71 -1.28 0.98 0.00 0.00 173.24 171.12 1ywh h SER 101 N -2.18 -0.06 -0.17 7.02 0.87 -1.93 -3.21 113.55 113.90 1ywh h SER 101 Ca -0.47 0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.04 1ywh h SER 101 Cb 1.30 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1ywh h SER 101 CO 0.42 0.00 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.60 1ywh h ASP 102 N 0.17 0.71 -2.69 6.23 -0.00 -1.93 -3.42 116.42 115.49 1ywh h ASP 102 Ca 0.21 -0.30 -0.33 0.00 -0.00 0.00 0.00 57.03 56.61 1ywh h ASP 102 Cb 0.27 -0.20 -0.36 0.00 -0.00 0.00 0.00 39.33 39.04 1ywh h ASP 102 CO -0.30 0.99 -0.64 0.00 -0.00 0.00 0.00 179.24 179.30 1ywh s MET 103 N -4.38 0.15 0.92 0.28 0.23 -1.21 -5.13 119.30 110.16 1ywh s MET 103 Ca -0.08 0.24 -0.11 0.00 -1.03 0.00 0.00 55.69 54.71 1ywh s MET 103 Cb 0.12 -1.11 0.15 0.00 -1.53 0.00 0.00 34.83 32.47 1ywh s MET 103 CO 0.83 -0.59 1.12 0.45 -2.03 0.00 0.00 175.02 174.81 1ywh s SER 104 N 2.30 2.96 0.40 -1.18 0.15 -1.26 -1.53 113.70 115.54 1ywh s SER 104 Ca 0.05 2.01 0.19 0.00 0.70 0.00 0.00 55.95 58.91 1ywh s SER 104 Cb -0.15 -2.51 0.81 0.00 -1.71 0.00 0.00 66.02 62.46 1ywh s SER 104 CO -0.11 -3.05 1.80 0.00 1.20 0.00 0.00 173.24 173.09 1ywh s GLU 106 N -3.82 4.54 0.00 0.00 0.41 -1.26 -3.05 118.70 115.52 1ywh s GLU 106 Ca -0.01 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 1ywh s GLU 106 Cb 0.12 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1ywh s GLU 106 CO 0.68 -0.08 0.00 -2.13 -0.49 0.00 0.00 175.26 173.24 1ywh n ARG 107 N 3.77 0.00 0.21 1.61 0.63 -1.26 -4.81 116.66 116.81 1ywh n ARG 107 Ca 0.06 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 1ywh n ARG 107 Cb 0.50 0.00 0.44 0.00 0.45 0.00 0.00 32.46 33.84 1ywh n ARG 107 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1ywh h GLY 108 N 0.00 0.00 -1.85 5.14 0.00 -0.58 -3.45 103.07 102.33 1ywh h GLY 108 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1ywh h GLY 108 CO 0.00 0.00 0.42 0.50 0.00 0.00 0.00 176.54 177.46 1ywh s ARG 109 N -3.69 2.21 0.00 4.80 0.52 -1.17 -2.20 118.95 119.43 1ywh s ARG 109 Ca 0.00 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 1ywh s ARG 109 Cb 0.11 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1ywh s ARG 109 CO 0.65 -1.80 0.00 0.72 0.02 0.00 0.00 175.30 174.89 1ywh n HIS 110 N -2.54 0.00 -1.70 -0.53 8.25 -1.26 -5.01 115.22 112.44 1ywh n HIS 110 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 1ywh n HIS 110 Cb 0.50 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1ywh n HIS 110 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ywh n GLN 111 N 0.00 2.82 -4.19 -0.41 6.02 -0.93 -4.96 117.38 115.72 1ywh n GLN 111 Ca 0.00 1.03 -0.23 0.00 -0.01 0.00 0.00 57.00 57.79 1ywh n GLN 111 Cb 0.00 -2.92 -0.06 0.00 1.02 0.00 0.00 30.24 28.29 1ywh n GLN 111 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ywh s SER 112 N 2.48 5.09 -0.14 1.08 0.15 -1.26 -1.04 113.70 120.05 1ywh s SER 112 Ca 0.81 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 1ywh s SER 112 Cb -0.48 -1.16 0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1ywh s SER 112 CO 0.36 -0.01 0.37 -0.22 1.20 0.00 0.00 173.24 174.94 1ywh s LEU 113 N -3.71 0.38 -0.22 3.45 2.96 0.38 -4.68 118.68 117.23 1ywh s LEU 113 Ca 0.32 0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 54.84 1ywh s LEU 113 Cb -0.07 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.83 1ywh s LEU 113 CO 0.23 -0.15 0.39 -1.10 -1.32 0.00 0.00 176.35 174.40 1ywh s GLN 114 N 0.62 4.12 0.60 1.98 -0.21 -1.26 0.25 119.66 125.76 1ywh s GLN 114 Ca -0.03 0.16 -0.19 0.00 0.02 0.00 0.00 55.36 55.31 1ywh s GLN 114 Cb -0.05 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 1ywh s GLN 114 CO -0.04 -0.12 1.25 0.00 -2.12 0.00 0.00 175.29 174.26 1ywh n ARG 116 N -1.61 1.53 -4.64 0.00 1.74 -1.26 -0.79 116.66 111.63 1ywh n ARG 116 Ca 0.14 -1.61 -0.23 0.00 -0.77 0.00 0.00 57.85 55.38 1ywh n ARG 116 Cb 0.49 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 30.47 1ywh n ARG 116 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ywh s SER 117 N -1.15 1.70 0.63 0.55 0.01 -1.26 -4.63 113.70 109.55 1ywh s SER 117 Ca 0.21 -0.27 0.39 0.00 1.31 0.00 0.00 55.95 57.59 1ywh s SER 117 Cb 0.13 -0.36 2.16 0.00 0.21 0.00 0.00 66.02 68.17 1ywh s SER 117 CO 0.19 0.14 2.31 1.55 0.41 0.00 0.00 173.24 177.83 1ywh h PRO 118 N 6.11 0.00 0.00 12.44 0.13 -1.97 -1.96 132.00 146.75 1ywh h PRO 118 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1ywh h PRO 118 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ywh h PRO 118 CO 0.48 0.01 -0.53 0.93 -0.23 0.00 0.00 178.00 178.66 1ywh h GLU 119 N 0.00 0.00 -6.95 0.86 3.07 -1.98 -3.48 114.58 106.11 1ywh h GLU 119 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 1ywh h GLU 119 Cb 0.04 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.07 1ywh h GLU 119 CO 0.00 0.05 0.70 0.39 -1.40 0.00 0.00 179.01 178.75 1ywh n GLU 120 N -2.92 2.37 -4.63 2.33 1.02 -0.74 -4.81 120.64 113.26 1ywh n GLU 120 Ca 0.01 0.84 -0.28 0.00 -0.02 0.00 0.00 57.16 57.71 1ywh n GLU 120 Cb 0.57 -2.61 -0.11 0.00 -0.02 0.00 0.00 31.44 29.27 1ywh n GLU 120 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ywh s GLN 121 N -2.29 1.98 0.22 3.49 -0.21 0.84 -4.85 119.66 118.84 1ywh s GLN 121 Ca 0.58 -2.14 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 1ywh s GLN 121 Cb -0.47 -1.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 1ywh s GLN 121 CO 0.60 -0.09 0.91 0.00 -2.12 0.00 0.00 175.29 174.58 1ywh s LEU 123 N -1.12 2.13 -0.09 0.00 1.43 0.07 -2.15 118.68 118.94 1ywh s LEU 123 Ca 0.40 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1ywh s LEU 123 Cb -0.25 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ywh s LEU 123 CO 0.31 0.26 -0.05 -0.62 0.23 0.00 0.00 176.35 176.48 1ywh s ASP 124 N -1.00 1.92 -0.11 2.29 2.15 -0.63 -2.64 116.67 118.63 1ywh s ASP 124 Ca 0.10 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 52.89 1ywh s ASP 124 Cb -0.10 -0.68 0.01 0.00 -0.30 0.00 0.00 42.92 41.86 1ywh s ASP 124 CO 0.01 -0.14 -0.16 0.54 -0.17 0.00 0.00 175.17 175.25 1ywh s VAL 125 N 1.77 1.57 -0.01 1.11 0.11 0.47 -1.28 120.40 124.14 1ywh s VAL 125 Ca 0.04 -0.69 0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1ywh s VAL 125 Cb -0.13 -1.43 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1ywh s VAL 125 CO -0.07 0.46 -0.23 0.54 -3.33 0.00 0.00 175.10 172.47 1ywh s VAL 126 N 0.99 1.82 -0.11 2.04 0.11 -0.13 -0.45 120.40 124.67 1ywh s VAL 126 Ca -0.06 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 57.97 1ywh s VAL 126 Cb -0.15 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1ywh s VAL 126 CO -0.02 0.49 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.28 1ywh s THR 127 N -0.57 0.93 -0.11 5.04 2.01 0.32 -0.55 115.64 122.71 1ywh s THR 127 Ca 0.09 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ywh s THR 127 Cb -0.09 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1ywh s THR 127 CO -0.01 0.35 -0.23 -2.28 -0.69 0.00 0.00 174.62 171.77 1ywh s HIS 128 N 1.74 2.54 -0.34 4.92 2.46 0.82 -1.22 115.29 126.22 1ywh s HIS 128 Ca 0.05 -1.13 -0.15 0.00 0.47 0.00 0.00 55.06 54.30 1ywh s HIS 128 Cb -0.13 -1.72 -0.01 0.00 -0.13 0.00 0.00 32.58 30.60 1ywh s HIS 128 CO -0.08 -0.48 0.34 -1.58 -2.47 0.00 0.00 174.74 170.46 1ywh s TRP 129 N 0.54 3.21 -0.19 3.88 0.51 -1.26 -1.23 118.94 124.41 1ywh s TRP 129 Ca -0.14 -0.08 -0.29 0.00 -2.12 0.00 0.00 56.10 53.47 1ywh s TRP 129 Cb -0.17 -2.63 -0.00 0.00 -0.81 0.00 0.00 33.47 29.85 1ywh s TRP 129 CO 0.05 -0.42 1.17 0.42 -0.51 0.00 0.00 176.95 177.66 1ywh s ILE 130 N 1.95 4.44 0.00 2.03 1.01 -0.50 -4.74 121.20 125.39 1ywh s ILE 130 Ca 0.10 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1ywh s ILE 130 Cb -0.17 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1ywh s ILE 130 CO 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 174.94 174.90 1ywh n GLN 131 N 6.46 0.12 -1.00 2.79 1.13 -1.26 -4.90 117.38 120.73 1ywh n GLN 131 Ca 0.13 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.16 1ywh n GLN 131 Cb 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.79 1ywh n GLN 131 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ywh n ARG 137 N 0.00 0.00 0.00 -1.09 1.74 -1.26 -5.27 116.66 110.79 1ywh n ARG 137 Ca 0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ywh n ARG 137 Cb 0.00 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1ywh n ARG 137 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ywh n PRO 138 N 4.38 0.00 0.00 5.56 -0.05 -1.26 -5.12 135.00 138.51 1ywh n PRO 138 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.50 1ywh n PRO 138 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.82 1ywh n PRO 138 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1ywh n LYS 139 N 0.00 3.75 -3.03 0.54 5.02 -1.26 -5.05 118.16 118.13 1ywh n LYS 139 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1ywh n LYS 139 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ywh n LYS 139 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ywh n ASP 140 N 0.00 5.72 -2.90 4.39 9.92 -1.26 -4.93 116.55 127.48 1ywh n ASP 140 Ca 0.00 -3.16 -0.41 0.00 -0.53 0.00 0.00 54.79 50.69 1ywh n ASP 140 Cb 0.00 -1.39 -0.07 0.00 -0.64 0.00 0.00 41.12 39.02 1ywh n ASP 140 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ywh n ASP 141 N 2.88 0.64 -4.38 -2.24 10.43 -1.26 -4.91 116.55 117.70 1ywh n ASP 141 Ca 0.29 0.61 -0.32 0.00 2.57 0.00 0.00 54.79 57.94 1ywh n ASP 141 Cb 0.37 -0.57 -0.15 0.00 1.84 0.00 0.00 41.12 42.62 1ywh n ASP 141 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1ywh s ARG 142 N 2.83 2.66 -0.05 -1.24 3.52 -0.35 -4.97 118.95 121.34 1ywh s ARG 142 Ca 0.72 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1ywh s ARG 142 Cb -0.96 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1ywh s ARG 142 CO 0.48 0.47 0.02 -1.01 -0.81 0.00 0.00 175.30 174.44 1ywh s HIS 143 N -0.34 0.40 -0.01 5.12 3.76 -1.26 -0.52 115.29 122.45 1ywh s HIS 143 Ca 0.03 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1ywh s HIS 143 Cb -0.13 -0.61 -0.00 0.00 1.11 0.00 0.00 32.58 32.95 1ywh s HIS 143 CO 0.02 -0.24 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.43 1ywh s LEU 144 N 1.81 1.91 0.06 0.89 2.96 0.40 -4.21 118.68 122.50 1ywh s LEU 144 Ca 0.01 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1ywh s LEU 144 Cb -0.12 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1ywh s LEU 144 CO -0.04 0.08 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.79 1ywh s ARG 145 N -0.01 0.92 0.00 1.98 0.52 -0.09 -0.39 118.95 121.87 1ywh s ARG 145 Ca 0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1ywh s ARG 145 Cb -0.05 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1ywh s ARG 145 CO -0.00 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1ywh n GLY 146 N 1.56 -0.69 3.73 -3.53 0.00 -1.07 -2.41 105.19 102.79 1ywh n GLY 146 Ca -0.19 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1ywh n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh s GLY 148 N -1.83 -0.31 -0.26 0.00 0.00 -0.33 0.16 107.32 104.74 1ywh s GLY 148 Ca 0.23 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.56 1ywh s GLY 148 CO 0.14 0.63 -0.07 -0.47 0.00 0.00 0.00 173.10 173.33 1ywh s TYR 149 N -2.24 3.18 0.09 1.90 6.14 0.11 -0.11 117.35 126.42 1ywh s TYR 149 Ca 0.06 -1.92 0.10 0.00 0.64 0.00 0.00 57.07 55.94 1ywh s TYR 149 Cb -0.01 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.31 1ywh s TYR 149 CO -0.05 -0.81 -0.25 -0.51 0.64 0.00 0.00 175.55 174.57 1ywh s LEU 150 N 1.23 2.25 0.46 6.97 2.01 -1.26 -1.89 118.68 128.44 1ywh s LEU 150 Ca -0.04 -0.66 -0.24 0.00 0.01 0.00 0.00 54.13 53.20 1ywh s LEU 150 Cb -0.19 -1.15 -0.07 0.00 0.01 0.00 0.00 46.19 44.79 1ywh s LEU 150 CO -0.04 0.18 1.26 -2.16 1.01 0.00 0.00 176.35 176.60 1ywh s PRO 151 N -1.67 3.68 -0.05 1.29 0.04 -1.26 -3.44 135.00 133.60 1ywh s PRO 151 Ca 0.11 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ywh s PRO 151 Cb -0.10 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1ywh s PRO 151 CO 0.04 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1ywh n GLY 152 N 0.59 0.43 3.54 0.56 0.00 -1.26 -5.07 105.19 103.99 1ywh n GLY 152 Ca 0.07 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1ywh n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh s PRO 154 N -2.76 3.53 0.00 0.00 0.04 -1.26 -5.07 135.00 129.48 1ywh s PRO 154 Ca 0.24 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1ywh s PRO 154 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ywh s PRO 154 CO 0.14 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1ywh n GLY 155 N -1.84 -2.05 3.32 0.56 0.00 0.30 -4.98 105.19 100.50 1ywh n GLY 155 Ca 0.07 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1ywh n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ywh s SER 156 N -0.09 3.48 0.04 1.61 0.01 -1.26 -0.68 113.70 116.81 1ywh s SER 156 Ca 0.00 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1ywh s SER 156 Cb 0.00 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 1ywh s SER 156 CO 0.00 0.22 -0.09 0.20 0.41 0.00 0.00 173.24 173.99 1ywh s ASN 157 N -0.02 0.98 0.00 2.44 -0.87 0.11 -4.98 114.94 112.60 1ywh s ASN 157 Ca -0.06 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 1ywh s ASN 157 Cb -0.15 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.10 1ywh s ASN 157 CO 0.05 -0.17 0.00 0.61 -2.57 0.00 0.00 177.10 175.02 1ywh n GLY 158 N 1.52 0.57 3.05 0.66 0.00 -1.26 -0.25 105.19 109.48 1ywh n GLY 158 Ca -0.22 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 1ywh n GLY 158 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ywh s PHE 159 N -2.00 0.84 0.03 1.61 5.36 0.25 -1.49 117.98 122.58 1ywh s PHE 159 Ca 0.00 -0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 55.65 1ywh s PHE 159 Cb 0.00 -0.52 -0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1ywh s PHE 159 CO 0.00 -0.01 0.09 -3.38 -1.46 0.00 0.00 175.22 170.46 1ywh s HIS 160 N -0.61 0.17 0.00 10.12 -3.43 -0.37 -0.99 115.29 120.18 1ywh s HIS 160 Ca 0.00 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 1ywh s HIS 160 Cb -0.06 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 1ywh s HIS 160 CO 0.00 -0.32 0.00 0.27 -2.00 0.00 0.00 174.74 172.69 1ywh n ASN 161 N 1.06 0.00 0.22 7.38 0.23 -0.49 -0.19 115.26 123.46 1ywh n ASN 161 Ca -0.21 -0.11 0.15 0.00 -0.53 0.00 0.00 54.58 53.88 1ywh n ASN 161 Cb 0.57 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.80 1ywh n ASN 161 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1ywh h ASN 162 N 0.00 0.00 0.00 0.53 -1.24 -1.92 -3.33 115.58 109.62 1ywh h ASN 162 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.70 1ywh h ASN 162 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1ywh h ASN 162 CO 0.00 0.00 -2.17 0.47 -1.29 0.00 0.00 177.43 174.44 1ywh n ASP 163 N -2.81 2.38 -4.29 1.15 9.92 -1.26 -4.78 116.55 116.86 1ywh n ASP 163 Ca 0.02 -0.11 -0.24 0.00 -0.53 0.00 0.00 54.79 53.93 1ywh n ASP 163 Cb 0.33 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.38 1ywh n ASP 163 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ywh s THR 164 N -2.41 1.74 -0.10 -3.53 2.01 -1.25 -1.41 115.64 110.69 1ywh s THR 164 Ca -0.27 -1.55 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 1ywh s THR 164 Cb 0.07 -1.58 0.05 0.00 0.01 0.00 0.00 72.50 71.05 1ywh s THR 164 CO 0.48 -0.05 0.13 0.12 -0.69 0.00 0.00 174.62 174.61 1ywh s PHE 165 N -1.15 -0.06 0.02 4.92 5.99 -0.36 -1.39 117.98 125.95 1ywh s PHE 165 Ca 0.07 0.30 0.09 0.00 0.00 0.00 0.00 56.93 57.39 1ywh s PHE 165 Cb -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 43.02 42.48 1ywh s PHE 165 CO 0.04 -0.33 -0.26 -1.01 -0.00 0.00 0.00 175.22 173.67 1ywh s HIS 166 N 2.23 2.34 -0.15 10.12 3.76 -0.16 -0.12 115.29 133.31 1ywh s HIS 166 Ca 0.04 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1ywh s HIS 166 Cb -0.13 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 32.16 1ywh s HIS 166 CO -0.06 0.06 0.43 0.12 -0.85 0.00 0.00 174.74 174.44 1ywh s PHE 167 N -0.73 -0.46 -0.05 1.40 5.36 0.29 -0.58 117.98 123.20 1ywh s PHE 167 Ca 0.11 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 57.18 1ywh s PHE 167 Cb -0.10 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.77 1ywh s PHE 167 CO 0.01 -0.24 0.06 -1.17 -1.46 0.00 0.00 175.22 172.43 1ywh s LEU 168 N 0.16 0.16 -0.03 6.12 0.20 0.65 -0.96 118.68 124.98 1ywh s LEU 168 Ca -0.01 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.85 1ywh s LEU 168 Cb -0.03 -0.15 -0.03 0.00 -0.43 0.00 0.00 46.19 45.55 1ywh s LEU 168 CO 0.01 -0.26 -0.09 -1.59 -0.29 0.00 0.00 176.35 174.13 1ywh s LYS 169 N 2.17 2.59 0.02 1.98 -2.85 -0.41 0.04 119.74 123.27 1ywh s LYS 169 Ca 0.05 -0.67 0.03 0.00 -1.00 0.00 0.00 55.97 54.38 1ywh s LYS 169 Cb -0.12 -2.50 -0.01 0.00 -2.06 0.00 0.00 37.83 33.14 1ywh s LYS 169 CO -0.04 0.63 -0.10 0.00 0.10 0.00 0.00 175.35 175.94 1ywh n ASN 172 N -0.25 2.79 -4.48 0.00 0.23 -1.26 -1.77 115.26 110.51 1ywh n ASN 172 Ca -0.07 -3.59 -0.23 0.00 -0.53 0.00 0.00 54.58 50.16 1ywh n ASN 172 Cb 0.63 -0.44 -0.10 0.00 -2.08 0.00 0.00 39.78 37.78 1ywh n ASN 172 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ywh s THR 173 N -3.49 1.89 0.02 5.53 -4.23 -1.26 -5.03 115.64 109.07 1ywh s THR 173 Ca 0.42 -2.16 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 1ywh s THR 173 Cb 0.38 -2.53 -0.08 0.00 1.34 0.00 0.00 72.50 71.61 1ywh s THR 173 CO -0.04 -0.26 1.86 -0.89 -0.54 0.00 0.00 174.62 174.75 1ywh s THR 174 N -2.85 3.13 0.00 3.99 2.01 -1.26 -3.14 115.64 117.52 1ywh s THR 174 Ca 0.31 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1ywh s THR 174 Cb 0.03 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1ywh s THR 174 CO 0.14 -0.02 0.00 0.29 -0.69 0.00 0.00 174.62 174.34 1ywh n LYS 175 N 7.18 -1.22 0.04 4.92 5.02 -0.60 -4.77 118.16 128.73 1ywh n LYS 175 Ca 0.19 0.30 0.22 0.00 -2.02 0.00 0.00 58.31 57.00 1ywh n LYS 175 Cb 0.41 -4.59 0.70 0.00 -0.02 0.00 0.00 35.03 31.53 1ywh n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ywh h ASN 177 N 0.00 0.00 -2.20 0.00 -0.00 -1.86 -3.44 115.58 108.08 1ywh h ASN 177 Ca 0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.47 1ywh h ASN 177 Cb 1.38 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.73 1ywh h ASN 177 CO -0.00 0.00 0.06 1.21 -0.00 0.00 0.00 177.43 178.70 1ywh n GLU 178 N -2.64 -0.56 0.00 6.67 2.13 0.39 -4.87 120.64 121.76 1ywh n GLU 178 Ca 0.02 -0.36 0.00 0.00 0.66 0.00 0.00 57.16 57.48 1ywh n GLU 178 Cb 0.98 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 32.42 1ywh n GLU 178 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ywh n GLY 179 N 2.78 0.91 3.11 8.31 0.00 -1.26 -5.02 105.19 114.01 1ywh n GLY 179 Ca 0.03 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 1ywh n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ywh n PRO 180 N 0.57 -3.00 -2.66 1.61 -0.04 -1.26 -4.98 135.00 125.24 1ywh n PRO 180 Ca 0.00 -1.55 -0.41 0.00 -0.04 0.00 0.00 63.50 61.50 1ywh n PRO 180 Cb 0.00 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1ywh n PRO 180 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ywh s ILE 181 N -2.73 4.49 -0.33 0.52 1.10 -1.26 -4.98 121.20 118.01 1ywh s ILE 181 Ca 0.63 1.94 -0.28 0.00 -0.51 0.00 0.00 60.65 62.43 1ywh s ILE 181 Cb -0.06 -4.24 -0.02 0.00 0.15 0.00 0.00 42.46 38.29 1ywh s ILE 181 CO 0.49 0.24 1.80 -0.22 -2.11 0.00 0.00 174.94 175.14 1ywh s LEU 182 N 0.40 3.51 -0.15 8.50 2.96 -1.26 -4.99 118.68 127.65 1ywh s LEU 182 Ca 0.50 1.31 -0.05 0.00 -0.22 0.00 0.00 54.13 55.67 1ywh s LEU 182 Cb -0.24 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1ywh s LEU 182 CO 0.30 -1.71 0.03 -1.61 -1.32 0.00 0.00 176.35 172.04 1ywh s GLU 183 N 5.67 3.63 0.17 1.98 0.41 -1.26 -5.02 118.70 124.27 1ywh s GLU 183 Ca 0.80 -0.38 -0.19 0.00 -0.41 0.00 0.00 54.97 54.80 1ywh s GLU 183 Cb -0.23 -3.05 0.09 0.00 -1.78 0.00 0.00 34.13 29.17 1ywh s GLU 183 CO 0.34 0.42 1.64 1.25 -0.49 0.00 0.00 175.26 178.42 1ywh h LEU 184 N 6.17 -0.58 -1.84 1.80 5.85 -1.98 -1.38 115.31 123.35 1ywh h LEU 184 Ca -0.41 0.14 0.36 0.00 0.84 0.00 0.00 57.88 58.81 1ywh h LEU 184 Cb 1.18 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 1ywh h LEU 184 CO 0.64 -0.20 0.88 -0.08 -0.34 0.00 0.00 178.44 179.33 1ywh h GLU 185 N -0.10 0.08 -0.21 1.25 4.57 -2.02 -0.48 114.58 117.67 1ywh h GLU 185 Ca 0.19 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1ywh h GLU 185 Cb 0.39 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1ywh h GLU 185 CO -0.45 0.05 0.00 0.09 -1.18 0.00 0.00 179.01 177.52 1ywh n ASN 186 N -4.27 0.21 -4.45 1.04 3.02 -0.52 -4.75 115.26 105.54 1ywh n ASN 186 Ca 0.28 -1.50 -0.33 0.00 -0.03 0.00 0.00 54.58 53.00 1ywh n ASN 186 Cb 1.27 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 40.20 1ywh n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ywh s LEU 187 N -0.72 2.73 0.66 3.41 1.43 -0.19 -5.02 118.68 120.98 1ywh s LEU 187 Ca 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1ywh s LEU 187 Cb 0.00 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1ywh s LEU 187 CO 0.00 0.30 1.06 -2.16 0.23 0.00 0.00 176.35 175.77 1ywh s PRO 188 N -0.44 3.10 0.43 1.29 0.04 -1.26 -4.71 135.00 133.45 1ywh s PRO 188 Ca 0.05 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 1ywh s PRO 188 Cb -0.12 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1ywh s PRO 188 CO 0.02 -0.97 1.25 -0.65 0.04 0.00 0.00 177.00 176.69 1ywh s GLN 189 N -4.74 3.88 -0.11 4.56 -0.21 -1.26 -1.10 119.66 120.68 1ywh s GLN 189 Ca 0.60 2.01 0.17 0.00 0.02 0.00 0.00 55.36 58.15 1ywh s GLN 189 Cb -0.14 -2.63 0.62 0.00 1.00 0.00 0.00 33.01 31.85 1ywh s GLN 189 CO 0.49 -0.52 1.53 0.27 -2.12 0.00 0.00 175.29 174.94 1ywh n ASN 190 N -0.10 4.31 -1.58 5.90 0.23 -1.07 -4.79 115.26 118.17 1ywh n ASN 190 Ca 0.05 -2.49 -0.12 0.00 -0.53 0.00 0.00 54.58 51.49 1ywh n ASN 190 Cb 0.45 -0.51 0.01 0.00 -2.08 0.00 0.00 39.78 37.65 1ywh n ASN 190 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ywh n GLY 191 N 0.70 -0.01 3.30 4.83 0.00 -1.26 -5.02 105.19 107.73 1ywh n GLY 191 Ca 0.23 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1ywh n GLY 191 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ywh s ARG 192 N -4.94 2.42 -0.13 1.61 6.06 -1.26 -5.02 118.95 117.68 1ywh s ARG 192 Ca 0.10 -0.89 0.02 0.00 -2.50 0.00 0.00 55.73 52.47 1ywh s ARG 192 Cb -0.05 -2.15 0.01 0.00 0.06 0.00 0.00 34.95 32.82 1ywh s ARG 192 CO 0.13 0.46 -0.20 -0.65 -2.50 0.00 0.00 175.30 172.54 1ywh s GLN 193 N -0.35 2.82 0.17 5.12 -0.21 -1.26 0.58 119.66 126.52 1ywh s GLN 193 Ca 0.02 -0.78 0.11 0.00 0.02 0.00 0.00 55.36 54.73 1ywh s GLN 193 Cb -0.12 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 1ywh s GLN 193 CO 0.02 -0.02 -0.24 0.00 -2.12 0.00 0.00 175.29 172.93 1ywh s TYR 195 N -1.54 3.11 -0.07 0.00 2.02 -1.26 -1.00 117.35 118.61 1ywh s TYR 195 Ca 0.18 1.61 0.03 0.00 -0.37 0.00 0.00 57.07 58.51 1ywh s TYR 195 Cb -0.08 -3.16 0.01 0.00 -0.40 0.00 0.00 41.96 38.33 1ywh s TYR 195 CO 0.08 -0.85 -0.15 0.45 -1.57 0.00 0.00 175.55 173.51 1ywh s SER 196 N -1.65 2.10 0.14 2.29 0.15 0.42 -2.56 113.70 114.60 1ywh s SER 196 Ca 0.62 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.66 1ywh s SER 196 Cb -0.22 -0.90 0.07 0.00 -1.71 0.00 0.00 66.02 63.27 1ywh s SER 196 CO 0.27 0.08 1.00 0.00 1.20 0.00 0.00 173.24 175.79 1ywh s LYS 198 N -3.07 0.64 0.00 0.00 2.20 -1.23 -0.50 119.74 117.77 1ywh s LYS 198 Ca 0.14 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1ywh s LYS 198 Cb -0.01 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1ywh s LYS 198 CO 0.02 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1ywh n GLY 199 N 4.70 0.74 3.97 5.54 0.00 -0.67 -3.89 105.19 115.59 1ywh n GLY 199 Ca -0.17 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 1ywh n GLY 199 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ywh s GLN 200 N -2.00 2.73 0.44 1.61 -0.21 0.43 0.33 119.66 122.99 1ywh s GLN 200 Ca 0.00 -1.34 0.25 0.00 0.02 0.00 0.00 55.36 54.29 1ywh s GLN 200 Cb 0.00 -2.64 1.28 0.00 1.00 0.00 0.00 33.01 32.65 1ywh s GLN 200 CO 0.00 -0.26 1.73 0.77 -2.12 0.00 0.00 175.29 175.41 1ywh h SER 201 N 0.75 0.31 0.00 5.90 0.02 -1.88 -2.18 113.55 116.47 1ywh h SER 201 Ca -0.40 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ywh h SER 201 Cb 1.28 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1ywh h SER 201 CO 0.49 -0.00 -0.98 0.41 -1.14 0.00 0.00 176.83 175.60 1ywh n THR 202 N -4.56 0.00 -4.54 -2.27 -1.04 -1.26 -3.36 114.28 97.26 1ywh n THR 202 Ca 0.29 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 1ywh n THR 202 Cb 1.11 0.69 -0.17 0.00 -1.82 0.00 0.00 70.33 70.15 1ywh n THR 202 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ywh s HIS 203 N -2.46 2.44 0.00 -1.42 5.04 -0.85 -4.69 115.29 113.35 1ywh s HIS 203 Ca 0.01 -1.23 0.00 0.00 -1.54 0.00 0.00 55.06 52.30 1ywh s HIS 203 Cb 0.09 -1.69 0.00 0.00 0.04 0.00 0.00 32.58 31.02 1ywh s HIS 203 CO 0.52 -0.59 0.00 0.41 -2.34 0.00 0.00 174.74 172.74 1ywh n GLY 204 N 4.18 0.97 0.34 1.59 0.00 -1.26 0.16 105.19 111.18 1ywh n GLY 204 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1ywh n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh s SER 206 N -1.87 2.18 0.07 0.00 0.15 -1.21 -4.69 113.70 108.33 1ywh s SER 206 Ca 0.25 1.47 -0.36 0.00 0.70 0.00 0.00 55.95 58.02 1ywh s SER 206 Cb 0.20 -2.16 -0.18 0.00 -1.71 0.00 0.00 66.02 62.16 1ywh s SER 206 CO 0.06 -3.45 1.55 0.28 1.20 0.00 0.00 173.24 172.88 1ywh h SER 207 N -2.11 -1.29 0.00 5.45 0.02 -1.92 -2.13 113.55 111.57 1ywh h SER 207 Ca -0.55 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ywh h SER 207 Cb 1.32 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1ywh h SER 207 CO 0.53 -0.71 0.00 -1.84 -1.14 0.00 0.00 176.83 173.67 1ywh n GLU 208 N -5.50 0.45 -0.08 3.45 0.28 -1.26 -1.54 120.64 116.43 1ywh n GLU 208 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.77 1ywh n GLU 208 Cb 0.48 -1.31 -0.11 0.00 1.43 0.00 0.00 31.44 31.93 1ywh n GLU 208 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ywh n GLU 209 N -0.81 1.07 -2.56 3.44 -0.58 -1.10 -4.96 120.64 115.15 1ywh n GLU 209 Ca 0.07 0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 1ywh n GLU 209 Cb 0.03 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 1ywh n GLU 209 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ywh s THR 210 N -2.38 4.51 0.29 2.62 2.01 -0.59 -4.94 115.64 117.16 1ywh s THR 210 Ca -0.16 1.82 0.04 0.00 0.31 0.00 0.00 61.69 63.70 1ywh s THR 210 Cb 0.05 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1ywh s THR 210 CO 0.55 -0.15 0.02 0.72 -0.69 0.00 0.00 174.62 175.07 1ywh s PHE 211 N 3.25 1.83 -0.03 4.92 -0.12 -1.18 -4.91 117.98 121.75 1ywh s PHE 211 Ca 0.49 -0.90 -0.25 0.00 -0.05 0.00 0.00 56.93 56.23 1ywh s PHE 211 Cb -0.18 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 41.04 1ywh s PHE 211 CO 0.11 0.05 0.75 -1.17 -0.05 0.00 0.00 175.22 174.90 1ywh s LEU 212 N -3.42 4.36 0.23 -1.99 2.96 -1.26 -0.43 118.68 119.13 1ywh s LEU 212 Ca 0.33 1.32 0.08 0.00 -0.22 0.00 0.00 54.13 55.63 1ywh s LEU 212 Cb 0.07 -3.18 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 1ywh s LEU 212 CO 0.13 -0.09 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.44 1ywh s ILE 213 N 0.57 1.74 -0.32 6.68 2.07 -0.17 -4.94 121.20 126.83 1ywh s ILE 213 Ca 0.39 -2.19 -0.14 0.00 -1.41 0.00 0.00 60.65 57.30 1ywh s ILE 213 Cb -0.19 -2.19 -0.02 0.00 0.13 0.00 0.00 42.46 40.18 1ywh s ILE 213 CO 0.21 -0.48 0.30 -1.81 -1.91 0.00 0.00 174.94 171.24 1ywh s ASP 214 N -3.37 6.13 0.76 4.50 1.01 -1.26 -2.33 116.67 122.11 1ywh s ASP 214 Ca 0.25 -0.16 -0.13 0.00 0.71 0.00 0.00 52.55 53.22 1ywh s ASP 214 Cb 0.01 -2.17 0.05 0.00 1.01 0.00 0.00 42.92 41.82 1ywh s ASP 214 CO 0.09 -0.23 1.14 0.00 0.21 0.00 0.00 175.17 176.38 1ywh s ARG 216 N -4.34 0.63 5.71 0.00 0.52 -1.26 -2.61 118.95 117.60 1ywh s ARG 216 Ca 0.68 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1ywh s ARG 216 Cb -0.23 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 34.83 1ywh s ARG 216 CO 0.49 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.30 1ywh n GLY 217 N 1.29 3.07 0.00 -3.53 0.00 -0.26 -1.58 105.19 104.18 1ywh n GLY 217 Ca -0.21 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1ywh n GLY 217 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ywh n PRO 218 N 14.00 0.06 -1.99 1.61 -0.04 -1.26 -4.54 135.00 142.83 1ywh n PRO 218 Ca 0.00 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1ywh n PRO 218 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1ywh n PRO 218 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ywh n MET 219 N -1.46 3.00 -0.29 0.54 2.81 -0.61 -4.53 117.12 116.58 1ywh n MET 219 Ca 0.06 -2.85 0.12 0.00 -1.81 0.00 0.00 57.70 53.22 1ywh n MET 219 Cb 0.23 -3.30 0.27 0.00 -0.71 0.00 0.00 33.22 29.72 1ywh n MET 219 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ywh n ASN 220 N 6.40 3.76 -4.87 7.83 6.94 -0.96 -4.09 115.26 130.27 1ywh n ASN 220 Ca 0.50 -2.00 -0.28 0.00 -0.02 0.00 0.00 54.58 52.78 1ywh n ASN 220 Cb 0.40 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 1ywh n ASN 220 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ywh s GLN 221 N -1.24 2.25 -0.07 -3.83 -0.21 -0.46 -4.96 119.66 111.13 1ywh s GLN 221 Ca 0.45 -2.09 0.03 0.00 0.02 0.00 0.00 55.36 53.76 1ywh s GLN 221 Cb 0.25 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 1ywh s GLN 221 CO 0.33 -0.55 -0.14 0.00 -2.12 0.00 0.00 175.29 172.81 1ywh s LEU 223 N -0.43 1.59 -0.14 0.00 0.20 -0.04 -2.05 118.68 117.81 1ywh s LEU 223 Ca 0.05 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.60 1ywh s LEU 223 Cb -0.12 -0.81 0.00 0.00 -0.43 0.00 0.00 46.19 44.83 1ywh s LEU 223 CO 0.02 0.02 -0.20 0.54 -0.29 0.00 0.00 176.35 176.44 1ywh s VAL 224 N 0.77 2.30 -0.09 1.68 0.11 -0.84 -1.46 120.40 122.87 1ywh s VAL 224 Ca -0.13 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1ywh s VAL 224 Cb -0.15 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1ywh s VAL 224 CO 0.02 0.54 -0.16 0.00 -3.33 0.00 0.00 175.10 172.17 1ywh s ALA 225 N 0.75 2.55 0.04 1.54 0.00 0.31 -1.53 121.76 125.41 1ywh s ALA 225 Ca -0.08 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1ywh s ALA 225 Cb -0.16 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1ywh s ALA 225 CO 0.00 0.39 -0.21 0.99 0.00 0.00 0.00 175.76 176.93 1ywh s THR 226 N -0.14 2.53 0.00 0.00 2.01 -0.44 -1.22 115.64 118.39 1ywh s THR 226 Ca -0.02 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1ywh s THR 226 Cb -0.14 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1ywh s THR 226 CO 0.04 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1ywh n GLY 227 N 1.71 0.89 3.48 4.40 0.00 -0.66 0.14 105.19 115.15 1ywh n GLY 227 Ca -0.16 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1ywh n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ywh s THR 228 N -2.08 2.72 -0.46 2.61 -4.23 -1.26 -1.13 115.64 111.80 1ywh s THR 228 Ca 0.00 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1ywh s THR 228 Cb 0.00 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.72 1ywh s THR 228 CO 0.00 -0.01 0.33 -2.28 -0.54 0.00 0.00 174.62 172.12 1ywh s HIS 229 N -1.41 1.62 -0.18 3.99 2.46 -1.26 -1.53 115.29 118.98 1ywh s HIS 229 Ca 0.20 -2.41 -0.29 0.00 0.47 0.00 0.00 55.06 53.03 1ywh s HIS 229 Cb -0.09 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.92 1ywh s HIS 229 CO 0.11 -0.77 1.72 -1.21 -2.47 0.00 0.00 174.74 172.11 1ywh s GLU 230 N 0.01 3.79 0.00 2.88 2.02 -1.26 -3.88 118.70 122.26 1ywh s GLU 230 Ca 0.26 1.83 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1ywh s GLU 230 Cb -0.07 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.08 1ywh s GLU 230 CO -0.12 -1.31 0.00 -2.30 0.02 0.00 0.00 175.26 171.54 1ywh n PRO 231 N 7.72 0.00 -3.45 0.39 -0.01 -1.26 -4.97 135.00 133.42 1ywh n PRO 231 Ca 0.20 0.00 -0.27 0.00 -0.01 0.00 0.00 63.50 63.42 1ywh n PRO 231 Cb 0.45 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.84 1ywh n PRO 231 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 1ywh n LYS 232 N 0.00 0.55 -3.55 -0.52 4.81 -1.26 -4.97 118.16 113.21 1ywh n LYS 232 Ca 0.00 -3.41 -0.36 0.00 -0.87 0.00 0.00 58.31 53.66 1ywh n LYS 232 Cb 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 35.03 33.35 1ywh n LYS 232 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ywh n ASN 233 N 2.50 -5.26 0.00 3.14 4.13 -1.26 -5.03 115.26 113.48 1ywh n ASN 233 Ca 0.27 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.20 1ywh n ASN 233 Cb 0.46 -1.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 1ywh n ASN 233 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1ywh n GLN 234 N -0.69 0.00 0.00 3.52 -0.06 -1.25 -4.94 117.38 113.96 1ywh n GLN 234 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.86 1ywh n GLN 234 Cb 0.68 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.86 1ywh n GLN 234 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ywh n SER 235 N 0.00 0.00 -3.74 1.69 2.88 -1.26 -4.81 113.62 108.38 1ywh n SER 235 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1ywh n SER 235 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1ywh n SER 235 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1ywh s TYR 236 N -0.10 -0.35 0.01 0.66 6.14 -0.28 -4.59 117.35 118.85 1ywh s TYR 236 Ca 0.00 0.78 0.03 0.00 0.64 0.00 0.00 57.07 58.52 1ywh s TYR 236 Cb 0.00 0.13 -0.01 0.00 0.42 0.00 0.00 41.96 42.50 1ywh s TYR 236 CO 0.00 -0.26 -0.08 -1.64 0.64 0.00 0.00 175.55 174.20 1ywh s MET 237 N -0.30 0.63 -0.01 4.97 -1.94 0.15 -1.65 119.30 121.16 1ywh s MET 237 Ca -0.04 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1ywh s MET 237 Cb -0.03 -0.58 -0.00 0.00 2.01 0.00 0.00 34.83 36.22 1ywh s MET 237 CO 0.02 0.15 -0.07 0.54 -0.01 0.00 0.00 175.02 175.65 1ywh s VAL 238 N -0.50 0.53 0.12 -6.03 0.11 -0.35 -1.67 120.40 112.62 1ywh s VAL 238 Ca 0.00 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1ywh s VAL 238 Cb -0.05 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1ywh s VAL 238 CO 0.00 0.16 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.66 1ywh s ARG 239 N -0.09 1.03 0.00 1.54 0.52 0.34 -0.53 118.95 121.76 1ywh s ARG 239 Ca 0.02 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1ywh s ARG 239 Cb -0.03 -0.91 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1ywh s ARG 239 CO -0.00 0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1ywh n GLY 240 N 0.52 -2.79 3.82 -3.53 0.00 -0.54 -2.93 105.19 99.74 1ywh n GLY 240 Ca -0.15 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1ywh n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh s ALA 242 N -2.45 -1.04 0.25 0.00 0.00 -1.01 -1.24 121.76 116.28 1ywh s ALA 242 Ca 0.62 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 1ywh s ALA 242 Cb -0.13 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1ywh s ALA 242 CO 0.31 -0.83 0.67 0.95 0.00 0.00 0.00 175.76 176.86 1ywh s THR 243 N -3.87 4.73 0.51 0.00 -4.23 -0.55 -1.36 115.64 110.87 1ywh s THR 243 Ca 0.09 0.92 0.30 0.00 -1.18 0.00 0.00 61.69 61.82 1ywh s THR 243 Cb -0.02 -3.69 0.48 0.00 1.34 0.00 0.00 72.50 70.61 1ywh s THR 243 CO -0.03 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.91 1ywh h ALA 244 N 2.80 2.79 -0.98 3.99 0.00 -1.92 0.16 119.26 126.11 1ywh h ALA 244 Ca -0.48 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.57 1ywh h ALA 244 Cb 1.18 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1ywh h ALA 244 CO 0.66 -1.08 0.59 0.66 0.00 0.00 0.00 179.25 180.08 1ywh h SER 245 N 0.08 0.80 0.00 0.00 4.64 -1.93 -2.56 113.55 114.58 1ywh h SER 245 Ca 0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1ywh h SER 245 Cb 1.77 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1ywh h SER 245 CO -0.05 0.36 0.08 0.23 -0.87 0.00 0.00 176.83 176.58 1ywh n MET 246 N -4.72 0.12 -0.00 4.77 2.00 0.54 0.25 117.12 120.08 1ywh n MET 246 Ca 0.20 0.61 0.08 0.00 0.00 0.00 0.00 57.70 58.60 1ywh n MET 246 Cb 0.46 -1.98 -0.11 0.00 0.00 0.00 0.00 33.22 31.59 1ywh n MET 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ywh n GLN 248 N -1.64 0.58 -4.09 0.00 6.02 0.14 -4.92 117.38 113.47 1ywh n GLN 248 Ca 0.01 -0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 56.57 1ywh n GLN 248 Cb 0.32 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.94 1ywh n GLN 248 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ywh s HIS 249 N -3.31 1.72 0.43 1.08 3.76 -0.90 -5.02 115.29 113.04 1ywh s HIS 249 Ca -0.04 -0.86 0.16 0.00 -0.15 0.00 0.00 55.06 54.17 1ywh s HIS 249 Cb 0.14 -1.33 1.06 0.00 1.11 0.00 0.00 32.58 33.56 1ywh s HIS 249 CO 0.85 -0.52 1.93 0.00 -0.85 0.00 0.00 174.74 176.14 1ywh h ALA 250 N 7.89 2.12 -0.29 -1.40 0.00 -1.91 -1.20 119.26 124.47 1ywh h ALA 250 Ca -0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1ywh h ALA 250 Cb 1.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ywh h ALA 250 CO 0.46 -0.31 -0.06 1.12 0.00 0.00 0.00 179.25 180.46 1ywh h HIS 251 N 0.40 0.49 -0.14 0.00 2.07 -1.98 -1.12 115.15 114.88 1ywh h HIS 251 Ca 0.36 -0.06 -0.23 0.00 -2.85 0.00 0.00 60.37 57.60 1ywh h HIS 251 Cb 0.83 -0.14 0.01 0.00 2.57 0.00 0.00 27.41 30.68 1ywh h HIS 251 CO -0.00 0.53 -0.81 -0.07 -3.07 0.00 0.00 177.93 174.51 1ywh h LEU 252 N 0.45 0.94 -0.35 6.12 -0.00 -1.60 -3.06 115.31 117.81 1ywh h LEU 252 Ca 0.09 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 1ywh h LEU 252 Cb 0.38 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1ywh h LEU 252 CO 0.02 1.43 0.00 0.61 -0.00 0.00 0.00 178.44 180.50 1ywh n GLY 253 N 0.74 -0.94 0.05 0.83 0.00 -0.79 -1.84 105.19 103.23 1ywh n GLY 253 Ca -0.08 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ywh n GLY 253 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ywh n ASP 254 N -1.78 0.33 -0.16 1.61 10.43 -0.46 -3.21 116.55 123.31 1ywh n ASP 254 Ca 0.02 0.54 -0.06 0.00 2.57 0.00 0.00 54.79 57.86 1ywh n ASP 254 Cb 0.13 -0.62 0.11 0.00 1.84 0.00 0.00 41.12 42.58 1ywh n ASP 254 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ywh h ALA 255 N 2.74 1.02 -2.83 2.24 0.00 -1.51 -3.42 119.26 117.50 1ywh h ALA 255 Ca 0.00 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.12 1ywh h ALA 255 Cb 0.55 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ywh h ALA 255 CO 0.00 0.61 0.57 -0.06 0.00 0.00 0.00 179.25 180.37 1ywh s PHE 256 N -5.06 3.29 -1.02 0.00 2.99 -1.20 -4.98 117.98 112.00 1ywh s PHE 256 Ca -0.10 1.52 -0.17 0.00 0.00 0.00 0.00 56.93 58.17 1ywh s PHE 256 Cb 0.14 -3.51 0.14 0.00 0.00 0.00 0.00 43.02 39.80 1ywh s PHE 256 CO 0.83 -1.31 1.23 -1.12 -0.00 0.00 0.00 175.22 174.85 1ywh s SER 257 N -0.58 6.78 -0.12 1.36 0.01 -1.26 -4.96 113.70 114.94 1ywh s SER 257 Ca 0.48 -2.36 -0.09 0.00 1.31 0.00 0.00 55.95 55.29 1ywh s SER 257 Cb -0.36 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.51 1ywh s SER 257 CO 0.47 -0.96 0.29 -0.04 0.41 0.00 0.00 173.24 173.42 1ywh s MET 258 N 2.31 0.31 0.05 12.44 1.00 -1.26 -4.78 119.30 129.36 1ywh s MET 258 Ca 0.36 0.49 0.16 0.00 0.00 0.00 0.00 55.69 56.70 1ywh s MET 258 Cb -0.04 0.06 -0.15 0.00 0.00 0.00 0.00 34.83 34.70 1ywh s MET 258 CO -0.06 -0.09 0.81 -0.91 0.00 0.00 0.00 175.02 174.77 1ywh h ASN 259 N 6.29 0.00 -2.60 3.03 4.21 -1.62 -3.39 115.58 121.50 1ywh h ASN 259 Ca -0.32 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.69 1ywh h ASN 259 Cb 1.18 0.00 -0.38 0.00 -1.12 0.00 0.00 38.32 38.00 1ywh h ASN 259 CO 0.33 0.65 -0.77 -1.38 -1.29 0.00 0.00 177.43 174.97 1ywh s HIS 260 N -2.87 0.28 0.14 1.19 -3.43 -1.26 -4.94 115.29 104.40 1ywh s HIS 260 Ca -0.03 -0.98 -0.19 0.00 -0.80 0.00 0.00 55.06 53.06 1ywh s HIS 260 Cb 0.09 -0.81 -0.07 0.00 -1.43 0.00 0.00 32.58 30.35 1ywh s HIS 260 CO 0.81 -0.85 0.63 -1.50 -2.00 0.00 0.00 174.74 171.83 1ywh s ILE 261 N 1.81 4.67 -0.50 -5.38 2.07 -1.26 -4.36 121.20 118.26 1ywh s ILE 261 Ca 0.12 1.21 0.02 0.00 -1.41 0.00 0.00 60.65 60.59 1ywh s ILE 261 Cb -0.18 -3.88 0.13 0.00 0.13 0.00 0.00 42.46 38.66 1ywh s ILE 261 CO -0.24 0.39 0.25 -0.62 -1.91 0.00 0.00 174.94 172.81 1ywh s ASP 262 N -1.39 4.63 0.00 4.50 3.68 0.38 -4.96 116.67 123.52 1ywh s ASP 262 Ca 0.35 -2.75 -0.25 0.00 2.13 0.00 0.00 52.55 52.03 1ywh s ASP 262 Cb -0.18 -1.69 -0.05 0.00 -1.45 0.00 0.00 42.92 39.55 1ywh s ASP 262 CO 0.20 -0.31 0.78 0.68 0.13 0.00 0.00 175.17 176.66 1ywh s VAL 263 N 0.08 4.85 -0.02 1.11 -7.23 -1.26 -1.33 120.40 116.60 1ywh s VAL 263 Ca 0.15 1.64 0.01 0.00 -1.81 0.00 0.00 61.98 61.97 1ywh s VAL 263 Cb -0.23 -4.12 0.02 0.00 0.56 0.00 0.00 36.38 32.60 1ywh s VAL 263 CO -0.03 0.30 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.49 1ywh s SER 264 N 0.38 0.54 0.47 4.85 0.15 -0.58 -4.93 113.70 114.57 1ywh s SER 264 Ca 0.40 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 57.03 1ywh s SER 264 Cb -0.20 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1ywh s SER 264 CO 0.22 -0.05 0.06 0.00 1.20 0.00 0.00 173.24 174.68 1ywh h THR 267 N 2.58 0.57 -3.73 0.00 1.03 -1.94 -2.62 112.91 108.80 1ywh h THR 267 Ca -0.23 -1.53 -0.49 0.00 -0.01 0.00 0.00 66.41 64.15 1ywh h THR 267 Cb 1.18 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 1ywh h THR 267 CO 0.34 0.19 0.13 -0.75 -0.01 0.00 0.00 175.52 175.43 1ywh s LYS 268 N -2.04 3.81 0.76 0.00 2.20 -1.26 -4.76 119.74 118.45 1ywh s LYS 268 Ca -0.14 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 1ywh s LYS 268 Cb 0.01 -2.38 0.05 0.00 -1.51 0.00 0.00 37.83 34.00 1ywh s LYS 268 CO 0.33 -0.03 1.22 0.43 -0.36 0.00 0.00 175.35 176.93 1ywh n SER 269 N -1.22 1.29 -1.11 1.43 7.64 -1.26 -3.64 113.62 116.76 1ywh n SER 269 Ca 0.03 0.66 -0.14 0.00 1.01 0.00 0.00 58.87 60.42 1ywh n SER 269 Cb 0.54 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.16 1ywh n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ywh n GLY 270 N 0.68 1.40 0.92 0.23 0.00 0.80 -4.88 105.19 104.34 1ywh n GLY 270 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1ywh n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh n ASN 272 N 0.19 0.00 0.00 0.00 5.03 -1.26 -4.95 115.26 114.27 1ywh n ASN 272 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1ywh n ASN 272 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1ywh n ASN 272 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1ywh n HIS 273 N 0.00 0.00 -1.02 3.10 -0.00 -1.26 -3.59 115.22 112.45 1ywh n HIS 273 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1ywh n HIS 273 Cb 0.00 -0.09 -0.03 0.00 -0.12 0.00 0.00 29.99 29.76 1ywh n HIS 273 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1ywh n PRO 274 N -1.31 2.37 -3.71 1.57 -0.02 -1.26 -4.75 135.00 127.90 1ywh n PRO 274 Ca 0.00 -1.78 -0.10 0.00 -2.02 0.00 0.00 63.50 59.60 1ywh n PRO 274 Cb 0.00 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 30.75 1ywh n PRO 274 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ywh s ASP 275 N 3.43 -0.20 0.00 2.55 1.11 -1.24 -5.13 116.67 117.20 1ywh s ASP 275 Ca 0.50 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.78 1ywh s ASP 275 Cb 0.13 0.50 0.00 0.00 1.07 0.00 0.00 42.92 44.62 1ywh s ASP 275 CO -0.02 -0.92 0.00 0.18 1.18 0.00 0.00 175.17 175.59 1ywh n LEU 276 N -0.26 0.00 0.07 1.23 4.77 -1.26 -5.04 117.00 116.50 1ywh n LEU 276 Ca -0.13 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 1ywh n LEU 276 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1ywh n LEU 276 CO 0.18 0.00 0.18 -0.78 -1.33 0.00 0.00 177.39 175.64 1ywh h ASP 277 N 0.00 0.00 0.00 -1.43 1.82 -2.02 -3.41 116.42 111.37 1ywh h ASP 277 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ywh h ASP 277 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ywh h ASP 277 CO 0.00 0.94 0.00 0.52 -1.61 0.00 0.00 179.24 179.09 1ywh n VAL 278 N -3.34 0.00 -0.15 2.25 0.31 -1.26 -5.35 118.33 110.78 1ywh n VAL 278 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ywh n VAL 278 Cb 0.91 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 1ywh n VAL 278 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18