#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 2.37 0.18 1.96 0.52 -1.26 -1.33 118.95 121.39 1ywh s ARG 2 Ca 0.00 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.50 1ywh s ARG 2 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1ywh s ARG 2 CO 0.00 0.60 -0.13 0.00 0.02 0.00 0.00 175.30 175.79 1ywh s MET 4 N -3.53 4.44 -0.22 0.00 -1.94 -1.26 0.76 119.30 117.55 1ywh s MET 4 Ca 0.19 1.86 -0.06 0.00 -1.71 0.00 0.00 55.69 55.97 1ywh s MET 4 Cb -0.00 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 1ywh s MET 4 CO 0.05 -0.20 0.02 -1.14 -0.01 0.00 0.00 175.02 173.73 1ywh s GLN 5 N 0.47 3.58 -0.02 2.03 0.74 -0.53 -2.58 119.66 123.35 1ywh s GLN 5 Ca 0.57 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.46 1ywh s GLN 5 Cb -0.32 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.65 1ywh s GLN 5 CO 0.33 -0.11 -0.03 0.00 -0.55 0.00 0.00 175.29 174.93 1ywh s LYS 7 N 0.54 2.26 0.30 0.00 1.02 -0.81 -1.30 119.74 121.75 1ywh s LYS 7 Ca -0.06 0.17 0.18 0.00 0.02 0.00 0.00 55.97 56.28 1ywh s LYS 7 Cb -0.10 -2.00 0.98 0.00 -0.52 0.00 0.00 37.83 36.19 1ywh s LYS 7 CO -0.00 -1.38 1.52 2.41 -0.92 0.00 0.00 175.35 176.97 1ywh n THR 8 N -3.17 0.99 0.81 2.17 -1.04 -1.24 -2.17 114.28 110.63 1ywh n THR 8 Ca 0.08 0.72 0.11 0.00 -2.04 0.00 0.00 64.05 62.92 1ywh n THR 8 Cb 0.60 -1.72 0.29 0.00 -1.82 0.00 0.00 70.33 67.68 1ywh n THR 8 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ywh n ASN 9 N -2.15 2.49 0.00 8.00 6.94 -1.26 -4.59 115.26 124.69 1ywh n ASN 9 Ca -0.01 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 1ywh n ASN 9 Cb 0.10 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1ywh n ASN 9 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ywh n GLY 10 N 1.30 0.54 3.45 4.83 0.00 -0.92 -5.01 105.19 109.37 1ywh n GLY 10 Ca 0.17 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.45 6.19 0.42 1.61 2.15 -1.25 -4.95 116.67 118.38 1ywh s ASP 11 Ca 0.00 -0.88 0.07 0.00 0.43 0.00 0.00 52.55 52.17 1ywh s ASP 11 Cb 0.00 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.34 1ywh s ASP 11 CO 0.00 -0.66 0.13 0.00 -0.17 0.00 0.00 175.17 174.48 1ywh s ARG 13 N -3.87 1.63 -0.05 0.00 1.70 -0.53 -5.00 118.95 112.83 1ywh s ARG 13 Ca 0.37 -0.98 -0.23 0.00 -0.47 0.00 0.00 55.73 54.42 1ywh s ARG 13 Cb 0.05 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1ywh s ARG 13 CO 0.20 -0.72 0.69 0.08 -1.08 0.00 0.00 175.30 174.47 1ywh s VAL 14 N -3.92 5.01 -0.09 4.99 1.01 -1.26 -1.45 120.40 124.69 1ywh s VAL 14 Ca 0.12 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1ywh s VAL 14 Cb -0.04 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1ywh s VAL 14 CO 0.04 0.28 -0.17 -0.70 0.00 0.00 0.00 175.10 174.55 1ywh s GLU 15 N 0.61 2.95 -0.03 2.72 2.12 0.23 -4.89 118.70 122.40 1ywh s GLU 15 Ca 0.36 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 1ywh s GLU 15 Cb -0.18 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 1ywh s GLU 15 CO 0.18 0.35 0.95 -1.21 -0.54 0.00 0.00 175.26 174.99 1ywh s GLU 16 N -0.04 4.52 0.60 4.30 0.41 -1.26 0.04 118.70 127.27 1ywh s GLU 16 Ca -0.04 1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 55.69 1ywh s GLU 16 Cb -0.14 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 1ywh s GLU 16 CO 0.04 -0.08 1.10 0.00 -0.49 0.00 0.00 175.26 175.83 1ywh n ALA 18 N -1.93 -2.27 -0.15 0.00 0.00 -1.26 -4.83 120.51 110.07 1ywh n ALA 18 Ca 0.10 -1.57 -0.09 0.00 0.00 0.00 0.00 53.44 51.88 1ywh n ALA 18 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1ywh n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ywh h LEU 19 N 0.00 0.62 -2.56 0.00 7.12 -2.02 -2.60 115.31 115.87 1ywh h LEU 19 Ca -0.39 -0.20 -0.12 0.00 0.13 0.00 0.00 57.88 57.29 1ywh h LEU 19 Cb 1.14 -0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 41.03 1ywh h LEU 19 CO 0.27 0.66 0.16 0.61 -0.13 0.00 0.00 178.44 180.00 1ywh n GLY 20 N -0.68 2.68 2.80 3.75 0.00 -1.26 -4.69 105.19 107.79 1ywh n GLY 20 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1ywh n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ywh n GLN 21 N 0.00 1.55 -1.31 1.61 6.02 -0.98 -1.87 117.38 122.40 1ywh n GLN 21 Ca 0.20 -4.26 -0.26 0.00 -0.01 0.00 0.00 57.00 52.67 1ywh n GLN 21 Cb 0.87 -2.17 0.12 0.00 1.02 0.00 0.00 30.24 30.07 1ywh n GLN 21 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ywh n ASP 22 N 2.09 5.51 -3.93 1.08 8.00 -1.25 -4.58 116.55 123.48 1ywh n ASP 22 Ca 0.22 -3.73 -0.10 0.00 0.71 0.00 0.00 54.79 51.88 1ywh n ASP 22 Cb 0.37 -0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 40.55 1ywh n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ywh s LEU 23 N -3.57 1.93 0.02 0.64 1.43 -1.21 -4.50 118.68 113.41 1ywh s LEU 23 Ca 0.58 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1ywh s LEU 23 Cb 0.48 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 47.01 1ywh s LEU 23 CO 0.03 -0.33 0.07 0.00 0.23 0.00 0.00 176.35 176.35 1ywh s ARG 25 N -1.86 1.38 -0.04 0.00 1.70 -0.57 -0.01 118.95 119.56 1ywh s ARG 25 Ca 0.24 -1.57 0.02 0.00 -0.47 0.00 0.00 55.73 53.95 1ywh s ARG 25 Cb -0.12 -1.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.94 1ywh s ARG 25 CO 0.15 0.25 -0.07 0.99 -1.08 0.00 0.00 175.30 175.54 1ywh s THR 26 N -2.56 0.65 -0.12 4.99 2.01 0.18 -2.85 115.64 117.94 1ywh s THR 26 Ca 0.22 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1ywh s THR 26 Cb -0.03 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1ywh s THR 26 CO 0.08 0.23 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.16 1ywh s THR 27 N 0.61 1.87 -0.15 -0.82 2.01 0.66 -0.93 115.64 118.88 1ywh s THR 27 Ca -0.09 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1ywh s THR 27 Cb -0.12 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1ywh s THR 27 CO 0.01 0.51 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 1ywh s ILE 28 N 0.77 1.61 -0.17 1.82 1.01 0.78 -0.78 121.20 126.24 1ywh s ILE 28 Ca -0.09 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1ywh s ILE 28 Cb -0.16 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1ywh s ILE 28 CO 0.00 0.46 -0.04 0.54 0.00 0.00 0.00 174.94 175.91 1ywh s VAL 29 N 1.42 3.71 -0.31 2.92 0.11 -0.10 -1.23 120.40 126.92 1ywh s VAL 29 Ca 0.04 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1ywh s VAL 29 Cb -0.13 -2.64 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1ywh s VAL 29 CO -0.10 0.47 0.07 -0.13 -3.33 0.00 0.00 175.10 172.09 1ywh s ARG 30 N 0.65 2.84 0.40 1.54 0.52 0.17 -0.32 118.95 124.75 1ywh s ARG 30 Ca -0.03 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.20 1ywh s ARG 30 Cb -0.15 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1ywh s ARG 30 CO 0.02 -0.54 0.07 -0.48 0.02 0.00 0.00 175.30 174.40 1ywh s LEU 31 N 1.43 2.17 0.00 2.53 0.05 -0.42 -1.82 118.68 122.62 1ywh s LEU 31 Ca 0.00 -1.55 0.00 0.00 0.05 0.00 0.00 54.13 52.63 1ywh s LEU 31 Cb -0.18 -0.37 0.00 0.00 -2.05 0.00 0.00 46.19 43.59 1ywh s LEU 31 CO 0.02 -0.78 0.00 0.79 -0.55 0.00 0.00 176.35 175.83 1ywh n TRP 32 N -0.91 0.00 0.00 3.48 7.02 -1.26 0.03 117.44 125.80 1ywh n TRP 32 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1ywh n TRP 32 Cb 0.66 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.55 1ywh n TRP 32 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1ywh n GLU 33 N 0.00 0.00 -0.18 -0.99 4.07 -1.26 -4.69 120.64 117.59 1ywh n GLU 33 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 1ywh n GLU 33 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 1ywh n GLU 33 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1ywh h GLU 34 N 0.00 0.48 0.00 5.31 9.09 -2.04 -3.44 114.58 123.98 1ywh h GLU 34 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1ywh h GLU 34 Cb 0.00 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 26.99 1ywh h GLU 34 CO 0.00 0.32 0.00 0.41 0.05 0.00 0.00 179.01 179.79 1ywh n GLY 35 N -1.26 0.00 3.83 1.06 0.00 -1.26 -5.16 105.19 102.40 1ywh n GLY 35 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1ywh n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ywh s GLU 36 N 0.00 3.20 -0.18 1.61 2.02 -1.26 -5.07 118.70 119.02 1ywh s GLU 36 Ca 0.00 -0.45 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 1ywh s GLU 36 Cb 0.00 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 1ywh s GLU 36 CO 0.00 0.65 0.92 -2.00 0.02 0.00 0.00 175.26 174.85 1ywh s GLU 37 N -1.93 4.30 -0.15 1.61 2.12 -1.26 -4.27 118.70 119.12 1ywh s GLU 37 Ca 0.26 1.17 -0.06 0.00 0.36 0.00 0.00 54.97 56.70 1ywh s GLU 37 Cb -0.12 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1ywh s GLU 37 CO 0.17 -0.43 0.08 -1.17 -0.54 0.00 0.00 175.26 173.37 1ywh s LEU 38 N 2.50 3.98 -0.11 2.70 0.20 0.10 -4.97 118.68 123.09 1ywh s LEU 38 Ca 0.41 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 55.44 1ywh s LEU 38 Cb -0.16 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 1ywh s LEU 38 CO 0.11 0.28 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.72 1ywh s GLU 39 N -0.29 3.16 -0.19 1.98 2.12 -1.26 -1.30 118.70 122.92 1ywh s GLU 39 Ca 0.09 -0.49 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 1ywh s GLU 39 Cb -0.12 -2.78 0.05 0.00 0.26 0.00 0.00 34.13 31.54 1ywh s GLU 39 CO 0.01 0.53 -0.05 -1.17 -0.54 0.00 0.00 175.26 174.04 1ywh s LEU 40 N -0.42 1.91 -0.11 2.70 2.96 0.56 -4.99 118.68 121.29 1ywh s LEU 40 Ca 0.07 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 1ywh s LEU 40 Cb -0.12 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 1ywh s LEU 40 CO 0.02 -0.20 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.96 1ywh s VAL 41 N 1.56 2.42 -0.02 1.68 1.01 -1.26 -0.92 120.40 124.86 1ywh s VAL 41 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1ywh s VAL 41 Cb -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1ywh s VAL 41 CO -0.07 0.55 -0.15 -0.70 0.00 0.00 0.00 175.10 174.72 1ywh s GLU 42 N 0.39 1.37 0.06 2.72 2.12 0.04 -3.63 118.70 121.76 1ywh s GLU 42 Ca -0.15 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.68 1ywh s GLU 42 Cb -0.17 -1.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 1ywh s GLU 42 CO 0.07 0.30 -0.16 0.15 -0.54 0.00 0.00 175.26 175.08 1ywh s LYS 43 N -0.22 0.97 0.02 4.30 1.02 -0.42 -0.25 119.74 125.16 1ywh s LYS 43 Ca 0.03 -0.88 -0.28 0.00 0.02 0.00 0.00 55.97 54.85 1ywh s LYS 43 Cb -0.08 -1.02 0.10 0.00 -0.52 0.00 0.00 37.83 36.32 1ywh s LYS 43 CO 0.00 0.24 1.24 -1.54 -0.92 0.00 0.00 175.35 174.38 1ywh s SER 44 N -1.41 -0.03 0.58 2.83 1.04 -1.07 -0.13 113.70 115.52 1ywh s SER 44 Ca 0.02 -0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 1ywh s SER 44 Cb -0.09 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1ywh s SER 44 CO 0.02 -0.41 1.26 0.00 0.98 0.00 0.00 173.24 175.09 1ywh s THR 46 N -1.46 0.01 0.76 0.00 -1.32 -0.20 -4.82 115.64 108.61 1ywh s THR 46 Ca 0.76 -1.68 -0.13 0.00 -1.21 0.00 0.00 61.69 59.43 1ywh s THR 46 Cb -0.35 -2.28 0.05 0.00 -1.51 0.00 0.00 72.50 68.42 1ywh s THR 46 CO 0.39 -0.06 1.15 -1.00 -2.21 0.00 0.00 174.62 172.89 1ywh s HIS 47 N -4.07 2.20 0.28 9.09 3.76 -1.26 -3.36 115.29 121.93 1ywh s HIS 47 Ca 0.29 1.62 0.13 0.00 -0.15 0.00 0.00 55.06 56.95 1ywh s HIS 47 Cb 0.03 -3.30 0.55 0.00 1.11 0.00 0.00 32.58 30.98 1ywh s HIS 47 CO 0.09 -2.28 1.71 0.77 -0.85 0.00 0.00 174.74 174.18 1ywh h SER 48 N -0.67 0.00 -0.06 1.40 0.02 -1.73 -3.08 113.55 109.43 1ywh h SER 48 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ywh h SER 48 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1ywh h SER 48 CO 0.49 0.49 0.00 -1.84 -1.14 0.00 0.00 176.83 174.83 1ywh n GLU 49 N -3.82 1.27 -1.66 3.45 0.00 -1.26 -4.88 120.64 113.74 1ywh n GLU 49 Ca -0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 57.16 56.44 1ywh n GLU 49 Cb 0.53 -1.32 0.07 0.00 0.00 0.00 0.00 31.44 30.71 1ywh n GLU 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ywh s LYS 50 N -1.92 2.49 0.26 3.44 1.02 -1.17 -5.08 119.74 118.77 1ywh s LYS 50 Ca 0.29 0.64 -0.08 0.00 0.02 0.00 0.00 55.97 56.84 1ywh s LYS 50 Cb 0.14 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1ywh s LYS 50 CO 0.23 -1.34 0.41 0.95 -0.92 0.00 0.00 175.35 174.68 1ywh s THR 51 N -3.20 0.00 0.51 2.17 -4.23 -1.26 -5.06 115.64 104.57 1ywh s THR 51 Ca 0.59 -1.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.31 1ywh s THR 51 Cb -0.13 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 1ywh s THR 51 CO 0.54 0.00 1.38 0.20 -0.54 0.00 0.00 174.62 176.20 1ywh s ASN 52 N -3.09 5.50 0.20 3.99 0.01 -1.26 -4.75 114.94 115.54 1ywh s ASN 52 Ca 0.27 2.82 -0.19 0.00 -0.71 0.00 0.00 52.86 55.06 1ywh s ASN 52 Cb 0.01 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1ywh s ASN 52 CO 0.12 -1.42 0.56 0.00 -1.51 0.00 0.00 177.10 174.85 1ywh s ARG 53 N -2.73 1.42 -0.21 -0.60 3.03 -0.25 -4.73 118.95 114.88 1ywh s ARG 53 Ca 0.67 -0.83 -0.28 0.00 2.03 0.00 0.00 55.73 57.33 1ywh s ARG 53 Cb -0.42 0.54 0.12 0.00 -1.03 0.00 0.00 34.95 34.16 1ywh s ARG 53 CO 0.51 -0.61 0.96 -0.08 -1.13 0.00 0.00 175.30 174.95 1ywh s THR 54 N -3.86 0.00 -0.13 4.99 -1.32 -0.84 -1.09 115.64 113.38 1ywh s THR 54 Ca 0.08 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.46 1ywh s THR 54 Cb -0.02 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1ywh s THR 54 CO -0.03 0.00 0.34 -0.22 -2.21 0.00 0.00 174.62 172.50 1ywh s LEU 55 N -0.42 0.45 -0.06 9.08 1.98 -0.61 -0.43 118.68 128.68 1ywh s LEU 55 Ca -0.00 0.71 -0.05 0.00 -2.89 0.00 0.00 54.13 51.89 1ywh s LEU 55 Cb -0.03 1.14 0.02 0.00 0.66 0.00 0.00 46.19 47.98 1ywh s LEU 55 CO -0.01 -0.15 0.16 -0.44 -1.89 0.00 0.00 176.35 174.03 1ywh s SER 56 N 0.67 -0.17 -0.00 3.68 0.01 -0.69 -0.07 113.70 117.13 1ywh s SER 56 Ca -0.04 0.33 -0.22 0.00 1.31 0.00 0.00 55.95 57.33 1ywh s SER 56 Cb -0.05 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1ywh s SER 56 CO -0.04 -0.07 0.48 -0.72 0.41 0.00 0.00 173.24 173.30 1ywh s TYR 57 N 0.21 -0.39 0.15 2.43 -0.85 0.21 -0.76 117.35 118.35 1ywh s TYR 57 Ca -0.01 0.55 -0.34 0.00 -0.52 0.00 0.00 57.07 56.75 1ywh s TYR 57 Cb -0.02 0.26 -0.14 0.00 0.38 0.00 0.00 41.96 42.44 1ywh s TYR 57 CO -0.01 -0.54 1.57 0.54 -1.52 0.00 0.00 175.55 175.60 1ywh n ARG 58 N 0.85 2.10 0.00 -3.49 1.74 -1.26 -0.04 116.66 116.56 1ywh n ARG 58 Ca -0.20 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1ywh n ARG 58 Cb 0.58 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1ywh n ARG 58 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1ywh n THR 59 N 3.40 0.00 -0.85 0.55 5.66 0.41 -4.60 114.28 118.86 1ywh n THR 59 Ca 0.17 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1ywh n THR 59 Cb 0.28 0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.75 1ywh n THR 59 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ywh n GLY 60 N 1.55 0.11 0.96 1.09 0.00 -1.26 -4.86 105.19 102.78 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 1.04 0.00 0.00 0.00 173.32 174.36 1ywh n LEU 61 N 0.00 0.00 -4.77 0.99 4.32 -1.26 -5.01 117.00 111.27 1ywh n LEU 61 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 1ywh n LEU 61 Cb 0.06 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 1ywh n LEU 61 CO 0.00 0.00 0.65 -0.54 -1.22 0.00 0.00 177.39 176.28 1ywh s LYS 62 N -0.75 4.72 -0.12 3.23 1.02 -1.26 -5.08 119.74 121.50 1ywh s LYS 62 Ca 0.00 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.42 1ywh s LYS 62 Cb 0.00 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1ywh s LYS 62 CO 0.00 0.39 -0.14 0.42 -0.92 0.00 0.00 175.35 175.10 1ywh s ILE 63 N -1.39 2.94 -0.05 2.17 1.09 -1.26 -0.44 121.20 124.26 1ywh s ILE 63 Ca 0.46 -0.71 -0.25 0.00 -1.10 0.00 0.00 60.65 59.05 1ywh s ILE 63 Cb -0.23 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.93 1ywh s ILE 63 CO 0.28 0.54 0.77 -0.89 -0.10 0.00 0.00 174.94 175.54 1ywh s THR 64 N 0.20 5.00 -0.01 2.92 2.01 0.94 -4.80 115.64 121.91 1ywh s THR 64 Ca -0.09 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1ywh s THR 64 Cb -0.15 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1ywh s THR 64 CO 0.05 0.23 0.01 -0.94 -0.69 0.00 0.00 174.62 173.29 1ywh s SER 65 N 0.85 0.05 0.01 3.53 1.04 -0.76 -0.62 113.70 117.80 1ywh s SER 65 Ca 0.41 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.87 1ywh s SER 65 Cb -0.19 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1ywh s SER 65 CO 0.21 -0.06 0.02 -0.76 0.98 0.00 0.00 173.24 173.63 1ywh s LEU 66 N 0.50 3.60 -0.21 2.42 2.01 0.90 -0.65 118.68 127.24 1ywh s LEU 66 Ca -0.04 0.00 -0.08 0.00 0.01 0.00 0.00 54.13 54.02 1ywh s LEU 66 Cb -0.06 -2.12 0.09 0.00 0.01 0.00 0.00 46.19 44.11 1ywh s LEU 66 CO -0.01 0.26 0.45 -0.89 1.01 0.00 0.00 176.35 177.17 1ywh s THR 67 N -1.16 -0.61 -0.10 5.49 2.01 -0.37 -1.57 115.64 119.34 1ywh s THR 67 Ca 0.22 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1ywh s THR 67 Cb -0.12 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1ywh s THR 67 CO 0.13 0.06 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.30 1ywh s GLU 68 N 2.50 1.88 0.03 4.92 2.12 -0.25 -0.15 118.70 129.74 1ywh s GLU 68 Ca -0.03 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 54.92 1ywh s GLU 68 Cb -0.11 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1ywh s GLU 68 CO -0.14 -0.12 -0.15 0.54 -0.54 0.00 0.00 175.26 174.86 1ywh s VAL 69 N 1.17 1.15 0.03 3.70 0.11 -0.11 -1.09 120.40 125.36 1ywh s VAL 69 Ca -0.04 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.15 1ywh s VAL 69 Cb -0.14 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1ywh s VAL 69 CO -0.03 0.11 -0.11 0.54 -3.33 0.00 0.00 175.10 172.27 1ywh s VAL 70 N -0.70 0.87 0.02 2.04 0.11 -1.26 -0.65 120.40 120.84 1ywh s VAL 70 Ca 0.03 -0.88 -0.27 0.00 -2.93 0.00 0.00 61.98 57.93 1ywh s VAL 70 Cb -0.07 -0.81 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1ywh s VAL 70 CO 0.01 -0.06 0.72 0.00 -3.33 0.00 0.00 175.10 172.44 1ywh n GLY 72 N 0.21 4.47 3.73 0.00 0.00 -1.26 0.14 105.19 112.48 1ywh n GLY 72 Ca -0.16 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.56 3.56 -0.08 0.99 1.02 -1.26 -4.90 118.68 115.46 1ywh s LEU 73 Ca 0.28 -0.25 -0.38 0.00 0.02 0.00 0.00 54.13 53.81 1ywh s LEU 73 Cb 0.24 -2.20 -0.16 0.00 0.02 0.00 0.00 46.19 44.10 1ywh s LEU 73 CO 0.03 0.09 1.58 -0.67 0.02 0.00 0.00 176.35 177.41 1ywh n ASP 74 N -0.15 2.25 -2.26 2.29 2.03 -1.26 -1.51 116.55 117.93 1ywh n ASP 74 Ca -0.09 1.08 -0.07 0.00 0.52 0.00 0.00 54.79 56.23 1ywh n ASP 74 Cb 0.55 -1.21 -0.01 0.00 -0.72 0.00 0.00 41.12 39.73 1ywh n ASP 74 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ywh n LEU 75 N 4.20 -0.67 0.00 -2.67 4.77 -0.70 -4.83 117.00 117.10 1ywh n LEU 75 Ca 0.22 0.30 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 1ywh n LEU 75 Cb 0.18 -1.63 0.28 0.00 -2.33 0.00 0.00 43.42 39.92 1ywh n LEU 75 CO 0.71 -0.13 0.59 0.00 -1.33 0.00 0.00 177.39 177.24 1ywh n ASN 77 N -1.21 3.21 -4.76 0.00 2.04 -1.26 -4.98 115.26 108.30 1ywh n ASN 77 Ca 0.06 -1.96 -0.37 0.00 -0.44 0.00 0.00 54.58 51.87 1ywh n ASN 77 Cb 0.07 -0.29 0.03 0.00 -2.53 0.00 0.00 39.78 37.05 1ywh n ASN 77 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 1ywh s GLN 78 N -1.03 3.18 0.00 -3.83 0.74 -0.35 -4.83 119.66 113.54 1ywh s GLN 78 Ca 0.31 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.65 1ywh s GLN 78 Cb 0.17 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1ywh s GLN 78 CO 0.22 -1.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 1ywh n GLY 79 N 0.57 -1.16 0.00 2.59 0.00 -1.26 -5.07 105.19 100.86 1ywh n GLY 79 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.48 0.00 -3.38 1.61 4.13 -1.26 -5.02 115.26 110.86 1ywh n ASN 80 Ca 0.00 -0.40 -0.26 0.00 1.68 0.00 0.00 54.58 55.60 1ywh n ASN 80 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1ywh n ASN 80 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ywh n SER 81 N -1.19 2.11 -0.10 6.41 7.64 -1.26 -4.43 113.62 122.80 1ywh n SER 81 Ca 0.00 -3.08 0.13 0.00 1.01 0.00 0.00 58.87 56.93 1ywh n SER 81 Cb 0.00 -0.66 0.46 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.29 -1.03 3.44 0.23 0.00 -1.26 -4.81 105.19 103.04 1ywh n GLY 82 Ca 0.26 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1ywh n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ywh s ARG 83 N -2.70 3.11 0.00 1.61 6.06 -1.26 -4.98 118.95 120.79 1ywh s ARG 83 Ca 0.21 -0.95 0.00 0.00 -2.50 0.00 0.00 55.73 52.49 1ywh s ARG 83 Cb 0.19 -4.12 0.00 0.00 0.06 0.00 0.00 34.95 31.08 1ywh s ARG 83 CO 0.56 -1.26 0.00 0.00 -2.50 0.00 0.00 175.30 172.10 1ywh n ALA 84 N 6.18 0.00 -1.06 6.12 0.00 -1.26 -5.12 120.51 125.38 1ywh n ALA 84 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1ywh n ALA 84 Cb 0.45 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.96 1ywh n ALA 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ywh n VAL 85 N -1.25 0.00 -0.33 0.00 0.31 -1.26 -5.18 118.33 110.61 1ywh n VAL 85 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1ywh n VAL 85 Cb 0.00 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1ywh n VAL 85 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1ywh n TYR 92 N -2.93 0.00 -1.64 3.52 4.01 -1.24 -4.97 117.16 113.91 1ywh n TYR 92 Ca 0.04 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.30 1ywh n TYR 92 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 1ywh n TYR 92 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1ywh n LEU 93 N 0.00 2.49 -4.70 7.72 7.94 -1.26 -4.36 117.00 124.83 1ywh n LEU 93 Ca 0.00 1.11 -0.37 0.00 -1.11 0.00 0.00 56.01 55.64 1ywh n LEU 93 Cb 0.00 -1.33 -0.08 0.00 0.53 0.00 0.00 43.42 42.54 1ywh n LEU 93 CO 0.00 -0.66 -0.07 -0.70 -1.11 0.00 0.00 177.39 174.86 1ywh s GLU 94 N 0.44 4.18 0.19 1.96 2.12 -1.26 0.62 118.70 126.94 1ywh s GLU 94 Ca 0.78 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 56.11 1ywh s GLU 94 Cb -0.78 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 1ywh s GLU 94 CO 0.44 0.14 -0.06 0.00 -0.54 0.00 0.00 175.26 175.23 1ywh s ILE 96 N -3.33 3.56 -0.08 0.00 -1.09 -1.26 0.83 121.20 119.84 1ywh s ILE 96 Ca 0.22 1.31 0.02 0.00 -2.23 0.00 0.00 60.65 59.97 1ywh s ILE 96 Cb 0.04 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1ywh s ILE 96 CO 0.05 0.21 -0.11 -0.55 -1.23 0.00 0.00 174.94 173.31 1ywh s SER 97 N 0.12 1.88 0.24 3.58 0.15 -0.20 -2.68 113.70 116.79 1ywh s SER 97 Ca 0.53 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.66 1ywh s SER 97 Cb -0.33 -0.83 0.06 0.00 -1.71 0.00 0.00 66.02 63.21 1ywh s SER 97 CO 0.37 -0.01 0.92 0.00 1.20 0.00 0.00 173.24 175.71 1ywh n GLY 99 N -0.56 0.36 3.77 0.00 0.00 -1.25 -1.22 105.19 106.28 1ywh n GLY 99 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.20 6.70 0.00 1.61 1.04 -1.26 -4.83 113.70 114.77 1ywh s SER 100 Ca 0.00 2.51 0.00 0.00 0.48 0.00 0.00 55.95 58.94 1ywh s SER 100 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1ywh s SER 100 CO 0.00 -0.57 0.00 -1.54 0.98 0.00 0.00 173.24 172.11 1ywh n SER 101 N 0.53 0.00 -4.57 7.02 3.41 -1.26 -4.23 113.62 114.52 1ywh n SER 101 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 1ywh n SER 101 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1ywh n SER 101 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ywh s ASP 102 N -0.92 4.37 -0.38 4.04 -1.08 -1.26 -4.65 116.67 116.78 1ywh s ASP 102 Ca 0.00 -0.36 -0.16 0.00 -0.52 0.00 0.00 52.55 51.51 1ywh s ASP 102 Cb 0.00 -0.84 0.02 0.00 -1.46 0.00 0.00 42.92 40.64 1ywh s ASP 102 CO 0.00 0.20 0.46 0.23 0.52 0.00 0.00 175.17 176.57 1ywh n MET 103 N 0.87 -2.42 -0.12 4.34 2.81 -1.26 -4.95 117.12 116.39 1ywh n MET 103 Ca -0.14 2.07 0.00 0.00 -1.81 0.00 0.00 57.70 57.82 1ywh n MET 103 Cb 0.52 -4.76 0.00 0.00 -0.71 0.00 0.00 33.22 28.28 1ywh n MET 103 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ywh n SER 104 N 0.01 0.00 0.09 7.83 3.41 -1.26 -4.18 113.62 119.53 1ywh n SER 104 Ca 0.05 -0.39 0.13 0.00 -0.26 0.00 0.00 58.87 58.40 1ywh n SER 104 Cb 0.41 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.77 1ywh n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ywh n GLU 106 N -2.19 0.00 0.00 0.00 1.02 -1.26 -3.26 120.64 114.95 1ywh n GLU 106 Ca 0.06 0.26 0.15 0.00 -0.02 0.00 0.00 57.16 57.61 1ywh n GLU 106 Cb 0.42 -1.26 0.72 0.00 -0.02 0.00 0.00 31.44 31.30 1ywh n GLU 106 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ywh n ARG 107 N -1.29 0.60 0.00 3.49 1.85 -1.24 -3.97 116.66 116.11 1ywh n ARG 107 Ca 0.00 -0.10 0.11 0.00 -1.00 0.00 0.00 57.85 56.85 1ywh n ARG 107 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 1ywh n ARG 107 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ywh n GLY 108 N 1.25 -1.07 3.29 2.89 0.00 0.30 -4.94 105.19 106.91 1ywh n GLY 108 Ca 0.15 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1ywh n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ywh n ARG 109 N -1.61 0.06 0.00 1.61 1.74 -1.20 -2.39 116.66 114.86 1ywh n ARG 109 Ca 0.03 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ywh n ARG 109 Cb 0.36 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1ywh n ARG 109 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ywh n HIS 110 N -2.45 0.00 -2.34 -1.55 8.25 -1.26 -4.96 115.22 110.92 1ywh n HIS 110 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1ywh n HIS 110 Cb 0.52 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 1ywh n HIS 110 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ywh s GLN 111 N 0.00 4.23 -0.01 -0.41 0.74 -1.01 -5.01 119.66 118.19 1ywh s GLN 111 Ca 0.00 1.77 -0.01 0.00 0.05 0.00 0.00 55.36 57.17 1ywh s GLN 111 Cb 0.00 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 1ywh s GLN 111 CO 0.00 -0.72 0.09 -1.54 -0.55 0.00 0.00 175.29 172.57 1ywh s SER 112 N 2.22 5.74 -0.03 6.67 1.04 -1.26 -1.04 113.70 127.04 1ywh s SER 112 Ca 0.59 0.17 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1ywh s SER 112 Cb -0.24 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1ywh s SER 112 CO 0.18 0.28 -0.11 -0.22 0.98 0.00 0.00 173.24 174.35 1ywh s LEU 113 N -1.68 1.81 -0.02 2.42 2.96 0.24 -4.83 118.68 119.58 1ywh s LEU 113 Ca 0.22 -0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 53.69 1ywh s LEU 113 Cb -0.12 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 1ywh s LEU 113 CO 0.13 0.09 0.62 -1.58 -1.32 0.00 0.00 176.35 174.29 1ywh s GLN 114 N 0.18 4.36 0.29 1.98 0.74 -1.26 0.27 119.66 126.22 1ywh s GLN 114 Ca -0.04 0.77 -0.29 0.00 0.05 0.00 0.00 55.36 55.85 1ywh s GLN 114 Cb -0.10 -3.38 -0.09 0.00 1.10 0.00 0.00 33.01 30.54 1ywh s GLN 114 CO 0.01 0.27 1.06 0.00 -0.55 0.00 0.00 175.29 176.09 1ywh s ARG 116 N -1.60 4.18 0.01 0.00 3.00 -1.26 -3.65 118.95 119.64 1ywh s ARG 116 Ca 0.46 0.68 0.00 0.00 0.00 0.00 0.00 55.73 56.87 1ywh s ARG 116 Cb -0.29 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.40 1ywh s ARG 116 CO 0.37 0.59 0.00 0.45 0.00 0.00 0.00 175.30 176.71 1ywh n SER 117 N 1.96 -2.19 0.26 0.23 2.88 -1.26 -4.69 113.62 110.81 1ywh n SER 117 Ca -0.10 0.04 0.13 0.00 -1.33 0.00 0.00 58.87 57.60 1ywh n SER 117 Cb 0.51 -0.33 0.71 0.00 -0.75 0.00 0.00 64.21 64.35 1ywh n SER 117 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ywh h PRO 118 N 0.10 0.00 0.00 -1.46 0.13 -2.00 -2.90 132.00 125.87 1ywh h PRO 118 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ywh h PRO 118 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ywh h PRO 118 CO 0.00 0.12 0.00 1.05 -0.23 0.00 0.00 178.00 178.94 1ywh h GLU 119 N 0.00 0.00 -6.96 0.86 9.09 -1.98 -3.46 114.58 112.13 1ywh h GLU 119 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1ywh h GLU 119 Cb 0.38 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.57 1ywh h GLU 119 CO 0.02 0.00 0.65 -1.21 0.05 0.00 0.00 179.01 178.51 1ywh s GLU 120 N -3.55 3.89 0.49 1.06 2.02 -1.10 -4.81 118.70 116.71 1ywh s GLU 120 Ca 0.03 2.26 0.03 0.00 0.02 0.00 0.00 54.97 57.30 1ywh s GLU 120 Cb 0.08 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1ywh s GLU 120 CO 0.57 -0.59 0.02 -0.65 0.02 0.00 0.00 175.26 174.62 1ywh s GLN 121 N -2.29 2.15 -0.19 1.61 -0.21 0.55 -4.76 119.66 116.52 1ywh s GLN 121 Ca 0.58 -2.32 -0.27 0.00 0.02 0.00 0.00 55.36 53.37 1ywh s GLN 121 Cb -0.40 -1.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 1ywh s GLN 121 CO 0.52 -0.30 0.91 0.00 -2.12 0.00 0.00 175.29 174.30 1ywh s LEU 123 N 2.50 4.35 -0.12 0.00 2.01 0.18 -1.21 118.68 126.40 1ywh s LEU 123 Ca 0.40 0.39 -0.02 0.00 0.01 0.00 0.00 54.13 54.92 1ywh s LEU 123 Cb -0.16 -2.36 0.04 0.00 0.01 0.00 0.00 46.19 43.72 1ywh s LEU 123 CO 0.11 0.33 0.01 -0.62 1.01 0.00 0.00 176.35 177.18 1ywh s ASP 124 N -1.53 2.10 -0.06 2.29 3.68 0.27 -2.33 116.67 121.10 1ywh s ASP 124 Ca 0.22 -0.36 0.04 0.00 2.13 0.00 0.00 52.55 54.58 1ywh s ASP 124 Cb -0.12 -0.53 -0.00 0.00 -1.45 0.00 0.00 42.92 40.81 1ywh s ASP 124 CO 0.12 -0.22 -0.17 0.54 0.13 0.00 0.00 175.17 175.56 1ywh s VAL 125 N 1.91 1.49 -0.01 1.11 0.11 0.17 0.12 120.40 125.30 1ywh s VAL 125 Ca 0.03 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1ywh s VAL 125 Cb -0.14 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1ywh s VAL 125 CO -0.06 0.43 -0.01 0.68 -3.33 0.00 0.00 175.10 172.80 1ywh s VAL 126 N 0.19 0.11 -0.09 2.04 -7.23 0.10 -0.59 120.40 114.92 1ywh s VAL 126 Ca -0.08 -0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1ywh s VAL 126 Cb -0.13 -0.13 0.01 0.00 0.56 0.00 0.00 36.38 36.69 1ywh s VAL 126 CO 0.03 0.05 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.82 1ywh s THR 127 N 0.20 1.54 -0.04 5.32 2.01 -0.27 -0.73 115.64 123.66 1ywh s THR 127 Ca -0.02 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1ywh s THR 127 Cb -0.03 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.11 1ywh s THR 127 CO -0.01 0.45 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.99 1ywh s HIS 128 N 0.73 1.12 -0.14 4.92 5.04 0.13 -1.24 115.29 125.85 1ywh s HIS 128 Ca -0.12 -0.34 -0.07 0.00 -1.54 0.00 0.00 55.06 52.99 1ywh s HIS 128 Cb -0.16 -0.83 -0.04 0.00 0.04 0.00 0.00 32.58 31.59 1ywh s HIS 128 CO 0.03 -0.17 0.11 -1.58 -2.34 0.00 0.00 174.74 170.78 1ywh s TRP 129 N 0.44 3.46 -0.68 3.88 0.52 -1.26 -0.83 118.94 124.47 1ywh s TRP 129 Ca -0.08 0.38 -0.11 0.00 0.02 0.00 0.00 56.10 56.31 1ywh s TRP 129 Cb -0.12 -1.99 0.18 0.00 -1.15 0.00 0.00 33.47 30.39 1ywh s TRP 129 CO 0.02 0.53 0.59 0.42 0.02 0.00 0.00 176.95 178.52 1ywh s ILE 130 N -0.51 4.93 0.51 2.03 1.01 0.56 -5.01 121.20 124.72 1ywh s ILE 130 Ca 0.12 -2.29 -0.05 0.00 0.00 0.00 0.00 60.65 58.43 1ywh s ILE 130 Cb -0.12 -4.12 0.11 0.00 0.01 0.00 0.00 42.46 38.34 1ywh s ILE 130 CO 0.02 -0.93 0.69 0.00 0.00 0.00 0.00 174.94 174.72 1ywh n GLN 131 N 4.25 -0.28 -2.58 2.79 1.13 -1.26 -4.75 117.38 116.67 1ywh n GLN 131 Ca 0.04 -1.43 -0.20 0.00 -1.94 0.00 0.00 57.00 53.47 1ywh n GLN 131 Cb 0.43 -0.60 0.02 0.00 0.11 0.00 0.00 30.24 30.20 1ywh n GLN 131 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1ywh n ARG 137 N -2.38 -1.02 -3.96 -1.09 -4.01 -1.26 -5.20 116.66 97.74 1ywh n ARG 137 Ca 0.10 0.70 -0.36 0.00 -1.04 0.00 0.00 57.85 57.25 1ywh n ARG 137 Cb 0.35 -1.13 -0.08 0.00 -3.04 0.00 0.00 32.46 28.57 1ywh n ARG 137 CO 0.00 0.00 0.00 0.57 -3.04 0.00 0.00 177.63 175.16 1ywh s PRO 138 N -1.87 3.58 -0.04 2.89 0.07 -1.26 -5.11 135.00 133.25 1ywh s PRO 138 Ca 0.17 -0.23 0.04 0.00 0.07 0.00 0.00 61.00 61.05 1ywh s PRO 138 Cb -0.02 -3.16 -0.00 0.00 0.07 0.00 0.00 34.50 31.39 1ywh s PRO 138 CO 0.49 0.60 -0.17 -1.59 0.07 0.00 0.00 177.00 176.40 1ywh s LYS 139 N -0.54 1.78 0.39 0.57 0.00 -1.26 -5.14 119.74 115.54 1ywh s LYS 139 Ca 0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 55.97 55.32 1ywh s LYS 139 Cb -0.12 -1.55 -0.09 0.00 0.00 0.00 0.00 37.83 36.07 1ywh s LYS 139 CO 0.02 0.25 0.82 -0.51 0.00 0.00 0.00 175.35 175.93 1ywh s ASP 140 N 0.02 6.73 0.82 0.03 -0.00 -1.26 -4.84 116.67 118.17 1ywh s ASP 140 Ca -0.03 1.37 -0.12 0.00 -0.00 0.00 0.00 52.55 53.77 1ywh s ASP 140 Cb -0.11 -2.41 0.08 0.00 -0.00 0.00 0.00 42.92 40.47 1ywh s ASP 140 CO 0.02 -0.33 1.11 -1.81 -0.00 0.00 0.00 175.17 174.16 1ywh s ASP 141 N -2.56 4.34 -0.08 0.27 -0.00 -1.26 -4.90 116.67 112.47 1ywh s ASP 141 Ca 0.56 1.18 -0.00 0.00 -0.00 0.00 0.00 52.55 54.29 1ywh s ASP 141 Cb -0.10 -1.87 0.02 0.00 -0.00 0.00 0.00 42.92 40.97 1ywh s ASP 141 CO 0.21 -2.05 -0.04 -0.60 -0.00 0.00 0.00 175.17 172.69 1ywh s ARG 142 N -5.22 1.05 -0.25 8.23 3.52 -0.37 -4.98 118.95 120.93 1ywh s ARG 142 Ca 0.61 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1ywh s ARG 142 Cb -0.14 -1.18 0.07 0.00 -1.56 0.00 0.00 34.95 32.14 1ywh s ARG 142 CO 0.54 -0.22 -0.01 -1.01 -0.81 0.00 0.00 175.30 173.79 1ywh s HIS 143 N 1.56 2.19 -0.12 5.12 3.76 -1.26 -1.11 115.29 125.42 1ywh s HIS 143 Ca 0.00 -1.70 0.03 0.00 -0.15 0.00 0.00 55.06 53.24 1ywh s HIS 143 Cb -0.13 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1ywh s HIS 143 CO -0.04 -0.77 -0.23 -1.17 -0.85 0.00 0.00 174.74 171.67 1ywh s LEU 144 N 1.46 2.08 0.04 0.89 0.20 0.24 -3.82 118.68 119.77 1ywh s LEU 144 Ca -0.02 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.30 1ywh s LEU 144 Cb -0.18 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1ywh s LEU 144 CO -0.09 0.12 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.77 1ywh s ARG 145 N 0.57 2.05 0.00 1.98 1.81 -0.36 -0.65 118.95 124.35 1ywh s ARG 145 Ca -0.13 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1ywh s ARG 145 Cb -0.17 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1ywh s ARG 145 CO 0.04 0.54 0.00 0.41 -0.68 0.00 0.00 175.30 175.61 1ywh n GLY 146 N 1.62 -1.06 3.88 -3.53 0.00 -0.98 -2.25 105.19 102.87 1ywh n GLY 146 Ca -0.16 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1ywh n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywh n GLY 148 N -3.02 2.37 2.93 0.00 0.00 -0.67 -1.70 105.19 105.09 1ywh n GLY 148 Ca 0.07 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1ywh n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ywh s TYR 149 N -2.00 0.66 -0.02 1.61 6.14 0.43 -0.33 117.35 123.85 1ywh s TYR 149 Ca 0.00 -0.15 -0.03 0.00 0.64 0.00 0.00 57.07 57.53 1ywh s TYR 149 Cb 0.00 -0.53 0.00 0.00 0.42 0.00 0.00 41.96 41.85 1ywh s TYR 149 CO 0.00 -0.11 0.06 -0.51 0.64 0.00 0.00 175.55 175.64 1ywh s LEU 150 N 0.45 1.78 0.30 6.97 2.01 -1.26 -1.99 118.68 126.94 1ywh s LEU 150 Ca -0.06 0.03 -0.28 0.00 0.01 0.00 0.00 54.13 53.83 1ywh s LEU 150 Cb -0.09 0.27 -0.14 0.00 0.01 0.00 0.00 46.19 46.23 1ywh s LEU 150 CO -0.00 -0.09 1.03 -2.65 1.01 0.00 0.00 176.35 175.65 1ywh n PRO 151 N 2.70 1.42 -2.21 1.29 -0.02 -1.26 -1.83 135.00 135.09 1ywh n PRO 151 Ca -0.15 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.70 1ywh n PRO 151 Cb 0.59 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 1ywh n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ywh n GLY 152 N 1.18 -0.10 3.87 -1.23 0.00 -1.26 -5.04 105.19 102.60 1ywh n GLY 152 Ca 0.09 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.12 2.71 0.00 0.00 0.05 -1.26 -5.01 135.00 130.36 1ywh s PRO 154 Ca 0.19 -0.54 0.00 0.00 0.05 0.00 0.00 61.00 60.70 1ywh s PRO 154 Cb -0.14 -2.45 0.00 0.00 0.05 0.00 0.00 34.50 31.97 1ywh s PRO 154 CO 0.08 -0.64 0.00 0.41 0.05 0.00 0.00 177.00 176.90 1ywh n GLY 155 N -2.36 0.55 3.25 0.56 0.00 -0.54 -4.99 105.19 101.66 1ywh n GLY 155 Ca 0.05 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 3.87 -0.01 1.61 0.01 -1.26 -2.11 113.70 115.81 1ywh s SER 156 Ca 0.00 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.85 1ywh s SER 156 Cb 0.00 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 1ywh s SER 156 CO 0.00 -0.01 -0.22 0.20 0.41 0.00 0.00 173.24 173.63 1ywh s ASN 157 N 1.36 2.55 -0.15 2.44 -0.87 0.60 -4.96 114.94 115.91 1ywh s ASN 157 Ca 0.05 -0.41 -0.34 0.00 -1.57 0.00 0.00 52.86 50.58 1ywh s ASN 157 Cb -0.14 -0.27 0.14 0.00 -0.02 0.00 0.00 41.25 40.96 1ywh s ASN 157 CO -0.06 0.25 1.32 -0.83 -2.57 0.00 0.00 177.10 175.22 1ywh s GLY 158 N -0.60 -0.35 0.03 0.66 0.00 -1.26 0.64 107.32 106.45 1ywh s GLY 158 Ca 0.08 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.13 1ywh s GLY 158 CO -0.00 0.37 -0.08 -0.12 0.00 0.00 0.00 173.10 173.26 1ywh s PHE 159 N -2.24 0.73 -0.02 1.90 5.36 0.05 -0.53 117.98 123.23 1ywh s PHE 159 Ca 0.12 -0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 55.55 1ywh s PHE 159 Cb 0.02 -0.44 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1ywh s PHE 159 CO -0.04 -0.04 0.36 -3.38 -1.46 0.00 0.00 175.22 170.65 1ywh s HIS 160 N -0.99 -0.24 0.00 10.12 -3.43 -0.47 -1.45 115.29 118.83 1ywh s HIS 160 Ca -0.05 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 1ywh s HIS 160 Cb -0.08 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 1ywh s HIS 160 CO 0.00 -0.41 0.00 0.27 -2.00 0.00 0.00 174.74 172.60 1ywh n ASN 161 N 1.25 0.03 -0.01 7.38 2.04 -0.63 -0.36 115.26 124.97 1ywh n ASN 161 Ca -0.21 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.06 1ywh n ASN 161 Cb 0.56 0.00 0.52 0.00 -2.53 0.00 0.00 39.78 38.33 1ywh n ASN 161 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ywh n ASN 162 N 0.00 0.17 -0.06 0.53 5.15 -1.26 -4.29 115.26 115.50 1ywh n ASN 162 Ca 0.00 0.20 -0.07 0.00 -0.60 0.00 0.00 54.58 54.10 1ywh n ASN 162 Cb 0.00 -0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 1ywh n ASN 162 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1ywh n ASP 163 N -1.46 3.03 -4.16 1.20 9.92 -1.26 -4.70 116.55 119.12 1ywh n ASP 163 Ca 0.07 -0.05 -0.19 0.00 -0.53 0.00 0.00 54.79 54.09 1ywh n ASP 163 Cb 0.33 0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 40.70 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 -2.23 1.13 -0.10 -3.53 2.01 -1.26 -0.32 115.64 111.34 1ywh s THR 164 Ca -0.13 -1.17 -0.02 0.00 0.31 0.00 0.00 61.69 60.68 1ywh s THR 164 Cb 0.04 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.52 1ywh s THR 164 CO 0.29 -0.11 0.02 0.12 -0.69 0.00 0.00 174.62 174.25 1ywh s PHE 165 N -1.07 0.70 -0.07 4.92 5.99 -0.01 -1.61 117.98 126.84 1ywh s PHE 165 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 56.93 56.66 1ywh s PHE 165 Cb -0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 43.02 42.10 1ywh s PHE 165 CO 0.02 -0.39 -0.21 -1.01 -0.00 0.00 0.00 175.22 173.63 1ywh s HIS 166 N 1.96 2.15 -0.06 10.12 3.76 -0.53 0.22 115.29 132.91 1ywh s HIS 166 Ca 0.04 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.15 1ywh s HIS 166 Cb -0.13 -1.45 0.03 0.00 1.11 0.00 0.00 32.58 32.14 1ywh s HIS 166 CO -0.06 -0.29 0.14 0.12 -0.85 0.00 0.00 174.74 173.80 1ywh s PHE 167 N 0.21 -0.15 -0.12 1.40 5.36 0.09 -0.77 117.98 124.01 1ywh s PHE 167 Ca -0.11 0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 56.28 1ywh s PHE 167 Cb -0.15 -0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1ywh s PHE 167 CO 0.05 -0.13 -0.07 -1.17 -1.46 0.00 0.00 175.22 172.44 1ywh s LEU 168 N 0.79 1.24 -0.16 6.12 0.20 0.21 -0.73 118.68 126.36 1ywh s LEU 168 Ca -0.06 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1ywh s LEU 168 Cb -0.08 -0.85 0.01 0.00 -0.43 0.00 0.00 46.19 44.84 1ywh s LEU 168 CO -0.04 -0.13 -0.20 -0.75 -0.29 0.00 0.00 176.35 174.94 1ywh s LYS 169 N 1.70 3.05 0.01 1.98 2.20 0.12 -0.29 119.74 128.50 1ywh s LYS 169 Ca 0.04 -0.83 0.08 0.00 -0.36 0.00 0.00 55.97 54.90 1ywh s LYS 169 Cb -0.13 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1ywh s LYS 169 CO -0.08 -0.07 -0.23 0.00 -0.36 0.00 0.00 175.35 174.61 1ywh n ASN 172 N 1.88 1.92 -4.96 0.00 6.94 -1.26 -1.58 115.26 118.20 1ywh n ASN 172 Ca -0.19 -1.55 -0.22 0.00 -0.02 0.00 0.00 54.58 52.60 1ywh n ASN 172 Cb 0.57 0.07 0.02 0.00 -2.36 0.00 0.00 39.78 38.08 1ywh n ASN 172 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ywh s THR 173 N -2.13 3.64 0.07 5.53 -4.23 -1.26 -4.97 115.64 112.29 1ywh s THR 173 Ca 0.31 -0.57 -0.31 0.00 -1.18 0.00 0.00 61.69 59.95 1ywh s THR 173 Cb 0.20 -3.34 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 1ywh s THR 173 CO 0.38 -0.24 1.76 -0.89 -0.54 0.00 0.00 174.62 175.09 1ywh s THR 174 N -2.59 2.91 0.00 3.99 2.01 -1.26 -3.33 115.64 117.36 1ywh s THR 174 Ca 0.51 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1ywh s THR 174 Cb -0.10 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1ywh s THR 174 CO 0.38 -0.01 0.00 1.17 -0.69 0.00 0.00 174.62 175.47 1ywh n LYS 175 N 6.03 -1.70 0.13 4.92 4.81 -0.37 -4.80 118.16 127.18 1ywh n LYS 175 Ca 0.17 0.42 0.08 0.00 -0.87 0.00 0.00 58.31 58.12 1ywh n LYS 175 Cb 0.40 -4.78 0.45 0.00 0.02 0.00 0.00 35.03 31.12 1ywh n LYS 175 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ywh n ASN 177 N -2.08 0.75 -4.84 0.00 6.94 -1.26 -4.90 115.26 109.87 1ywh n ASN 177 Ca -0.01 -2.02 -0.32 0.00 -0.02 0.00 0.00 54.58 52.21 1ywh n ASN 177 Cb 0.06 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 1ywh n ASN 177 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1ywh s GLU 178 N -1.77 4.02 0.00 -3.83 2.12 0.40 -4.82 118.70 114.82 1ywh s GLU 178 Ca 0.08 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1ywh s GLU 178 Cb 0.04 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1ywh s GLU 178 CO 0.05 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 1ywh n GLY 179 N -0.72 0.68 3.74 -1.50 0.00 -1.26 -5.09 105.19 101.05 1ywh n GLY 179 Ca 0.05 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 1ywh n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ywh s PRO 180 N -1.19 2.56 0.25 1.61 0.04 -1.26 -4.92 135.00 132.09 1ywh s PRO 180 Ca 0.00 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 1ywh s PRO 180 Cb 0.00 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1ywh s PRO 180 CO 0.00 -1.50 1.62 -0.89 0.04 0.00 0.00 177.00 176.27 1ywh n ILE 181 N -2.25 0.58 -2.28 0.56 5.41 -1.26 -4.92 119.36 115.20 1ywh n ILE 181 Ca 0.13 -0.15 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 1ywh n ILE 181 Cb 0.50 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 1ywh n ILE 181 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1ywh s LEU 182 N 0.26 4.28 0.07 1.39 0.20 -1.26 -5.02 118.68 118.60 1ywh s LEU 182 Ca 0.69 1.98 0.09 0.00 0.69 0.00 0.00 54.13 57.58 1ywh s LEU 182 Cb -0.53 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 41.65 1ywh s LEU 182 CO 0.42 -0.73 -0.24 -1.61 -0.29 0.00 0.00 176.35 173.91 1ywh s GLU 183 N 2.81 1.48 0.53 1.98 2.02 -1.26 -5.04 118.70 121.22 1ywh s GLU 183 Ca 0.62 -1.09 0.19 0.00 0.02 0.00 0.00 54.97 54.70 1ywh s GLU 183 Cb -0.28 -1.70 1.34 0.00 0.10 0.00 0.00 34.13 33.58 1ywh s GLU 183 CO 0.23 0.43 2.12 1.25 0.02 0.00 0.00 175.26 179.31 1ywh h LEU 184 N 4.57 0.00 -0.53 1.80 5.85 -1.96 -2.56 115.31 122.47 1ywh h LEU 184 Ca -0.46 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 1ywh h LEU 184 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1ywh h LEU 184 CO 0.42 0.00 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.77 1ywh h GLU 185 N 0.00 0.00 -0.00 1.25 4.39 -2.01 -3.02 114.58 115.19 1ywh h GLU 185 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ywh h GLU 185 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1ywh h GLU 185 CO -0.00 0.43 -0.06 0.09 -1.16 0.00 0.00 179.01 178.30 1ywh n ASN 186 N -3.37 0.32 -4.69 1.42 3.02 -0.96 -4.78 115.26 106.21 1ywh n ASN 186 Ca 0.01 -0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 53.61 1ywh n ASN 186 Cb 0.61 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.42 4.21 0.28 3.41 1.43 -1.14 -5.02 118.68 119.43 1ywh s LEU 187 Ca 0.32 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 1ywh s LEU 187 Cb 0.20 -2.83 -0.11 0.00 0.03 0.00 0.00 46.19 43.48 1ywh s LEU 187 CO 0.45 -0.15 1.61 -2.16 0.23 0.00 0.00 176.35 176.33 1ywh s PRO 188 N 1.33 4.13 0.11 1.29 0.04 -1.26 -4.35 135.00 136.29 1ywh s PRO 188 Ca 0.28 2.57 -0.35 0.00 0.04 0.00 0.00 61.00 63.55 1ywh s PRO 188 Cb -0.16 -3.04 -0.15 0.00 0.04 0.00 0.00 34.50 31.20 1ywh s PRO 188 CO 0.11 -0.65 1.54 0.94 0.04 0.00 0.00 177.00 178.99 1ywh n GLN 189 N 2.51 1.85 0.00 4.56 7.27 -1.26 0.58 117.38 132.89 1ywh n GLN 189 Ca 0.09 0.67 0.09 0.00 0.07 0.00 0.00 57.00 57.92 1ywh n GLN 189 Cb 0.37 -2.41 -0.07 0.00 2.41 0.00 0.00 30.24 30.54 1ywh n GLN 189 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1ywh n ASN 190 N 3.47 1.19 0.00 1.69 2.04 -0.23 -4.82 115.26 118.61 1ywh n ASN 190 Ca 0.18 -1.10 0.00 0.00 -0.44 0.00 0.00 54.58 53.22 1ywh n ASN 190 Cb 0.26 0.83 0.00 0.00 -2.53 0.00 0.00 39.78 38.33 1ywh n ASN 190 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ywh n GLY 191 N 1.39 3.44 3.81 4.83 0.00 -1.26 -5.06 105.19 112.34 1ywh n GLY 191 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.89 4.12 -0.07 1.61 6.06 -1.26 -4.95 118.95 123.56 1ywh s ARG 192 Ca 0.00 1.23 0.04 0.00 -2.50 0.00 0.00 55.73 54.50 1ywh s ARG 192 Cb 0.00 -2.22 0.00 0.00 0.06 0.00 0.00 34.95 32.79 1ywh s ARG 192 CO 0.00 -0.14 -0.18 -0.65 -2.50 0.00 0.00 175.30 171.83 1ywh s GLN 193 N -3.08 2.21 0.08 5.12 -1.52 -1.26 -1.58 119.66 119.63 1ywh s GLN 193 Ca 0.63 -0.65 0.04 0.00 -1.95 0.00 0.00 55.36 53.43 1ywh s GLN 193 Cb -0.13 -1.78 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 1ywh s GLN 193 CO 0.17 0.16 -0.11 0.00 -0.25 0.00 0.00 175.29 175.25 1ywh s TYR 195 N -1.90 3.82 -0.12 0.00 1.51 -1.26 -1.10 117.35 118.30 1ywh s TYR 195 Ca 0.01 1.81 0.03 0.00 -1.01 0.00 0.00 57.07 57.90 1ywh s TYR 195 Cb -0.06 -3.10 0.01 0.00 -0.11 0.00 0.00 41.96 38.70 1ywh s TYR 195 CO 0.01 0.05 -0.20 0.45 -1.11 0.00 0.00 175.55 174.75 1ywh s SER 196 N -0.78 2.83 0.22 2.29 0.15 0.28 -2.88 113.70 115.81 1ywh s SER 196 Ca 0.44 -0.53 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 1ywh s SER 196 Cb -0.27 -1.30 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1ywh s SER 196 CO 0.34 0.07 0.81 0.00 1.20 0.00 0.00 173.24 175.67 1ywh s LYS 198 N -3.66 0.33 0.00 0.00 2.20 -1.26 -1.69 119.74 115.67 1ywh s LYS 198 Ca 0.11 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1ywh s LYS 198 Cb -0.04 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1ywh s LYS 198 CO 0.04 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1ywh n GLY 199 N 4.14 0.66 3.78 5.54 0.00 -0.38 -4.17 105.19 114.75 1ywh n GLY 199 Ca -0.23 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.99 2.57 0.00 1.61 -0.21 -1.26 0.03 119.66 121.40 1ywh s GLN 200 Ca 0.00 1.20 0.18 0.00 0.02 0.00 0.00 55.36 56.77 1ywh s GLN 200 Cb 0.00 -1.93 1.09 0.00 1.00 0.00 0.00 33.01 33.17 1ywh s GLN 200 CO 0.00 -1.41 1.50 0.45 -2.12 0.00 0.00 175.29 173.71 1ywh n SER 201 N -3.07 0.00 0.00 5.90 2.88 -1.26 -0.73 113.62 117.34 1ywh n SER 201 Ca 0.09 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1ywh n SER 201 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1ywh n SER 201 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ywh n THR 202 N -0.95 0.11 0.03 2.46 -1.04 -1.26 -3.54 114.28 110.09 1ywh n THR 202 Ca 0.14 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1ywh n THR 202 Cb 0.06 1.25 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 1ywh n THR 202 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ywh n HIS 203 N -0.06 -0.24 -0.06 -1.42 -0.00 -1.08 -4.85 115.22 107.51 1ywh n HIS 203 Ca 0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 57.72 57.65 1ywh n HIS 203 Cb 0.14 0.13 -0.15 0.00 -0.00 0.00 0.00 29.99 30.11 1ywh n HIS 203 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ywh n GLY 204 N 3.02 -0.91 0.77 -1.39 0.00 -1.03 -4.44 105.19 101.21 1ywh n GLY 204 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.08 2.37 -1.07 0.00 1.04 -1.23 -4.73 113.70 108.99 1ywh s SER 206 Ca 0.27 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.82 1ywh s SER 206 Cb 0.15 -2.05 -0.09 0.00 0.10 0.00 0.00 66.02 64.13 1ywh s SER 206 CO 0.20 -3.31 1.97 -0.44 0.98 0.00 0.00 173.24 172.64 1ywh s SER 207 N -3.19 4.92 0.00 7.02 0.01 -1.26 -2.93 113.70 118.27 1ywh s SER 207 Ca 0.66 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1ywh s SER 207 Cb -0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1ywh s SER 207 CO 0.59 -3.12 0.00 -1.84 0.41 0.00 0.00 173.24 169.29 1ywh n GLU 208 N 8.48 0.00 0.01 12.44 -0.00 -1.26 -4.92 120.64 135.39 1ywh n GLU 208 Ca 0.43 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.70 1ywh n GLU 208 Cb 0.47 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 32.00 1ywh n GLU 208 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ywh n GLU 209 N 0.00 0.11 -2.93 3.44 0.00 -1.15 -4.86 120.64 115.25 1ywh n GLU 209 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1ywh n GLU 209 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 31.44 29.86 1ywh n GLU 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1ywh s THR 210 N -3.08 4.93 0.18 6.31 2.01 -1.16 -4.74 115.64 120.10 1ywh s THR 210 Ca 0.08 1.58 -0.07 0.00 0.31 0.00 0.00 61.69 63.59 1ywh s THR 210 Cb 0.16 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1ywh s THR 210 CO 0.77 0.09 0.26 0.72 -0.69 0.00 0.00 174.62 175.77 1ywh s PHE 211 N 1.78 0.61 -0.08 4.92 -0.71 -1.22 -4.90 117.98 118.38 1ywh s PHE 211 Ca 0.38 -0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 55.03 1ywh s PHE 211 Cb -0.17 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 1ywh s PHE 211 CO 0.14 -0.73 1.18 -0.51 -1.34 0.00 0.00 175.22 173.97 1ywh s LEU 212 N -3.03 4.26 0.19 -1.99 1.43 -1.26 -0.56 118.68 117.72 1ywh s LEU 212 Ca 0.23 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 1ywh s LEU 212 Cb 0.04 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1ywh s LEU 212 CO 0.04 -0.59 0.14 -0.51 0.23 0.00 0.00 176.35 175.66 1ywh s ILE 213 N 2.39 4.42 -0.08 -0.59 1.10 -0.26 -4.95 121.20 123.21 1ywh s ILE 213 Ca 0.54 -1.20 -0.18 0.00 -0.51 0.00 0.00 60.65 59.30 1ywh s ILE 213 Cb -0.23 -3.29 -0.05 0.00 0.15 0.00 0.00 42.46 39.04 1ywh s ILE 213 CO 0.20 -0.18 0.48 -1.81 -2.11 0.00 0.00 174.94 171.52 1ywh s ASP 214 N -3.31 6.74 0.40 4.50 1.01 -1.26 -2.53 116.67 122.22 1ywh s ASP 214 Ca 0.31 0.89 -0.22 0.00 0.71 0.00 0.00 52.55 54.23 1ywh s ASP 214 Cb -0.09 -2.29 -0.11 0.00 1.01 0.00 0.00 42.92 41.44 1ywh s ASP 214 CO 0.23 0.07 0.94 0.00 0.21 0.00 0.00 175.17 176.63 1ywh s ARG 216 N -2.86 2.59 4.91 0.00 3.00 -1.26 -1.07 118.95 124.27 1ywh s ARG 216 Ca 0.58 -0.65 0.00 0.00 0.00 0.00 0.00 55.73 55.66 1ywh s ARG 216 Cb -0.12 -2.49 0.00 0.00 0.00 0.00 0.00 34.95 32.35 1ywh s ARG 216 CO 0.16 0.63 0.00 0.41 0.00 0.00 0.00 175.30 176.50 1ywh n GLY 217 N 2.04 1.69 0.22 -3.53 0.00 0.20 -2.86 105.19 102.95 1ywh n GLY 217 Ca -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 10.61 1.18 -2.85 1.61 -0.04 -1.26 -4.39 135.00 139.85 1ywh n PRO 218 Ca 0.00 -0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 1ywh n PRO 218 Cb 0.00 -1.16 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.24 4.76 -0.81 0.54 2.81 -1.13 -4.35 117.12 118.69 1ywh n MET 219 Ca 0.02 -4.54 0.07 0.00 -1.81 0.00 0.00 57.70 51.44 1ywh n MET 219 Cb 0.11 -2.51 0.38 0.00 -0.71 0.00 0.00 33.22 30.49 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 0.99 5.36 -4.38 7.83 0.23 -1.16 -3.80 115.26 120.32 1ywh n ASN 220 Ca 0.33 -2.79 -0.23 0.00 -0.53 0.00 0.00 54.58 51.36 1ywh n ASN 220 Cb 0.31 -0.66 -0.11 0.00 -2.08 0.00 0.00 39.78 37.24 1ywh n ASN 220 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1ywh s GLN 221 N -2.51 1.39 -0.06 -3.83 -0.21 -0.22 -4.90 119.66 109.33 1ywh s GLN 221 Ca 0.52 -1.49 -0.17 0.00 0.02 0.00 0.00 55.36 54.24 1ywh s GLN 221 Cb 0.38 -1.53 -0.05 0.00 1.00 0.00 0.00 33.01 32.82 1ywh s GLN 221 CO 0.17 0.31 0.45 0.00 -2.12 0.00 0.00 175.29 174.10 1ywh s LEU 223 N -0.16 2.29 -0.18 0.00 0.20 0.12 -1.67 118.68 119.28 1ywh s LEU 223 Ca 0.25 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.63 1ywh s LEU 223 Cb -0.16 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1ywh s LEU 223 CO 0.12 0.22 -0.18 0.54 -0.29 0.00 0.00 176.35 176.76 1ywh s VAL 224 N -0.01 2.23 -0.15 1.68 0.11 -0.44 -1.18 120.40 122.64 1ywh s VAL 224 Ca -0.07 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1ywh s VAL 224 Cb -0.15 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1ywh s VAL 224 CO 0.05 0.52 -0.10 0.00 -3.33 0.00 0.00 175.10 172.24 1ywh s ALA 225 N 1.31 2.71 0.09 1.54 0.00 0.22 -1.01 121.76 126.61 1ywh s ALA 225 Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1ywh s ALA 225 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1ywh s ALA 225 CO -0.12 0.16 -0.15 -0.08 0.00 0.00 0.00 175.76 175.57 1ywh s THR 226 N 0.49 3.02 0.00 0.00 -1.32 0.34 0.48 115.64 118.65 1ywh s THR 226 Ca -0.08 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.10 1ywh s THR 226 Cb -0.15 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1ywh s THR 226 CO 0.04 0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1ywh n GLY 227 N 1.03 2.01 3.24 6.08 0.00 -0.85 -0.77 105.19 115.92 1ywh n GLY 227 Ca -0.15 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.64 1.28 0.27 2.61 -4.23 -0.32 -1.42 115.64 111.19 1ywh s THR 228 Ca 0.00 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1ywh s THR 228 Cb 0.00 -1.58 -0.06 0.00 1.34 0.00 0.00 72.50 72.20 1ywh s THR 228 CO 0.00 -0.49 -0.00 -1.00 -0.54 0.00 0.00 174.62 172.59 1ywh s HIS 229 N -2.38 1.81 0.20 3.99 3.76 0.50 -1.91 115.29 121.27 1ywh s HIS 229 Ca 0.10 -0.86 0.09 0.00 -0.15 0.00 0.00 55.06 54.25 1ywh s HIS 229 Cb -0.03 -1.09 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 1ywh s HIS 229 CO 0.03 0.08 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.70 1ywh s GLU 230 N -3.82 2.05 0.84 1.40 0.41 -1.26 -2.80 118.70 115.52 1ywh s GLU 230 Ca 0.31 -1.35 -0.12 0.00 -0.41 0.00 0.00 54.97 53.41 1ywh s GLU 230 Cb 0.06 -2.12 0.10 0.00 -1.78 0.00 0.00 34.13 30.39 1ywh s GLU 230 CO 0.12 0.41 1.11 -2.14 -0.49 0.00 0.00 175.26 174.27 1ywh s PRO 231 N -3.03 1.71 0.67 0.39 0.02 -1.26 -5.02 135.00 128.48 1ywh s PRO 231 Ca 0.26 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1ywh s PRO 231 Cb -0.08 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1ywh s PRO 231 CO 0.16 -1.85 0.00 1.63 -0.33 0.00 0.00 177.00 176.60 1ywh n LYS 232 N -3.57 -2.35 -0.84 5.54 5.02 -1.26 -4.03 118.16 116.67 1ywh n LYS 232 Ca 0.07 1.55 -0.17 0.00 -2.02 0.00 0.00 58.31 57.74 1ywh n LYS 232 Cb 0.57 -2.87 0.11 0.00 -0.02 0.00 0.00 35.03 32.82 1ywh n LYS 232 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ywh n ASN 233 N -4.02 4.03 -4.62 4.39 5.15 -1.26 -4.70 115.26 114.23 1ywh n ASN 233 Ca 0.01 -3.09 -0.48 0.00 -0.60 0.00 0.00 54.58 50.42 1ywh n ASN 233 Cb 0.53 -0.77 -0.04 0.00 -0.53 0.00 0.00 39.78 38.97 1ywh n ASN 233 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ywh n GLN 234 N -0.49 1.56 -3.36 1.20 6.02 -1.12 -4.60 117.38 116.59 1ywh n GLN 234 Ca 0.39 0.56 -0.38 0.00 -0.01 0.00 0.00 57.00 57.57 1ywh n GLN 234 Cb 1.16 -2.18 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 1ywh n GLN 234 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ywh s SER 235 N 0.35 6.64 0.30 1.08 1.04 -1.26 -0.37 113.70 121.47 1ywh s SER 235 Ca 0.76 0.76 0.08 0.00 0.48 0.00 0.00 55.95 58.03 1ywh s SER 235 Cb -0.79 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.02 1ywh s SER 235 CO 0.48 0.02 0.14 -0.47 0.98 0.00 0.00 173.24 174.39 1ywh s TYR 236 N 0.57 2.82 0.00 5.02 6.14 -0.51 -4.26 117.35 127.13 1ywh s TYR 236 Ca 0.24 -0.27 -0.02 0.00 0.64 0.00 0.00 57.07 57.66 1ywh s TYR 236 Cb -0.15 -1.50 -0.01 0.00 0.42 0.00 0.00 41.96 40.73 1ywh s TYR 236 CO 0.09 0.42 0.04 -1.64 0.64 0.00 0.00 175.55 175.10 1ywh s MET 237 N -3.83 0.28 -0.09 4.97 -1.94 0.10 -2.01 119.30 116.78 1ywh s MET 237 Ca 0.36 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1ywh s MET 237 Cb -0.05 0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.92 1ywh s MET 237 CO 0.23 -0.05 -0.05 0.08 -0.01 0.00 0.00 175.02 175.22 1ywh s VAL 238 N -0.99 0.76 -0.11 -6.03 1.01 0.18 -1.25 120.40 113.96 1ywh s VAL 238 Ca -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1ywh s VAL 238 Cb -0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1ywh s VAL 238 CO -0.00 0.32 -0.10 -0.13 0.00 0.00 0.00 175.10 175.19 1ywh s ARG 239 N 1.72 3.21 0.00 2.72 0.52 -0.68 0.69 118.95 127.13 1ywh s ARG 239 Ca 0.03 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 1ywh s ARG 239 Cb -0.13 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1ywh s ARG 239 CO -0.06 0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.04 1ywh n GLY 240 N 3.09 1.25 3.84 -3.53 0.00 -0.32 -1.23 105.19 108.29 1ywh n GLY 240 Ca -0.18 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.54 -1.83 0.56 0.00 0.00 0.17 -1.37 121.76 116.76 1ywh s ALA 242 Ca 0.58 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.63 1ywh s ALA 242 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1ywh s ALA 242 CO 0.29 -0.48 1.03 -0.08 0.00 0.00 0.00 175.76 176.52 1ywh s THR 243 N -1.96 4.11 0.19 0.00 -1.32 0.31 -1.05 115.64 115.92 1ywh s THR 243 Ca -0.02 1.00 -0.06 0.00 -1.21 0.00 0.00 61.69 61.41 1ywh s THR 243 Cb -0.01 -3.52 0.01 0.00 -1.51 0.00 0.00 72.50 67.47 1ywh s THR 243 CO -0.01 -0.59 1.58 0.00 -2.21 0.00 0.00 174.62 173.40 1ywh h ALA 244 N 0.63 0.78 -0.21 11.08 0.00 -1.90 -2.48 119.26 127.16 1ywh h ALA 244 Ca -0.47 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.10 1ywh h ALA 244 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1ywh h ALA 244 CO 0.59 0.65 0.36 0.66 0.00 0.00 0.00 179.25 181.51 1ywh h SER 245 N 0.67 0.00 -0.71 0.00 4.64 -1.93 0.22 113.55 116.44 1ywh h SER 245 Ca 0.08 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.58 1ywh h SER 245 Cb 0.83 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.89 1ywh h SER 245 CO 0.07 0.00 0.50 0.24 -0.87 0.00 0.00 176.83 176.77 1ywh h MET 246 N 0.00 0.12 -0.01 4.77 2.07 -1.78 0.26 114.93 120.37 1ywh h MET 246 Ca 0.10 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1ywh h MET 246 Cb 0.82 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 1ywh h MET 246 CO -0.00 0.08 -0.28 0.00 1.07 0.00 0.00 176.91 177.78 1ywh n GLN 248 N -0.69 0.71 -3.98 0.00 1.13 0.86 -4.92 117.38 110.49 1ywh n GLN 248 Ca 0.12 -0.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.79 1ywh n GLN 248 Cb 0.35 -1.27 -0.16 0.00 0.11 0.00 0.00 30.24 29.27 1ywh n GLN 248 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1ywh s HIS 249 N -2.69 2.37 0.30 1.08 3.76 -0.82 -5.00 115.29 114.28 1ywh s HIS 249 Ca -0.04 -1.58 0.02 0.00 -0.15 0.00 0.00 55.06 53.30 1ywh s HIS 249 Cb 0.07 -1.61 0.73 0.00 1.11 0.00 0.00 32.58 32.88 1ywh s HIS 249 CO 0.47 -0.74 1.52 0.00 -0.85 0.00 0.00 174.74 175.14 1ywh n ALA 250 N 4.69 0.49 0.27 -1.40 0.00 -1.26 -1.00 120.51 122.30 1ywh n ALA 250 Ca -0.14 1.04 0.11 0.00 0.00 0.00 0.00 53.44 54.45 1ywh n ALA 250 Cb 0.46 -0.76 0.73 0.00 0.00 0.00 0.00 19.45 19.89 1ywh n ALA 250 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ywh h HIS 251 N 0.00 0.00 -0.13 0.00 2.07 -1.97 -1.38 115.15 113.75 1ywh h HIS 251 Ca 0.58 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.88 1ywh h HIS 251 Cb 1.20 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.19 1ywh h HIS 251 CO -0.50 0.05 -0.82 -0.07 -3.07 0.00 0.00 177.93 173.52 1ywh h LEU 252 N 0.00 0.92 -1.38 6.12 4.07 -1.41 -3.22 115.31 120.40 1ywh h LEU 252 Ca -0.00 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1ywh h LEU 252 Cb 0.11 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1ywh h LEU 252 CO 0.01 1.42 0.00 1.23 -1.08 0.00 0.00 178.44 180.02 1ywh h GLY 253 N 0.59 0.00 2.00 0.83 0.00 -1.11 -2.54 103.07 102.84 1ywh h GLY 253 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1ywh h GLY 253 CO 0.17 0.00 -0.10 -0.55 0.00 0.00 0.00 176.54 176.05 1ywh h ASP 254 N 0.00 0.00 -0.99 0.19 3.45 -1.47 -2.20 116.42 115.40 1ywh h ASP 254 Ca 0.00 0.00 0.33 0.00 0.43 0.00 0.00 57.03 57.79 1ywh h ASP 254 Cb 0.33 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.94 1ywh h ASP 254 CO 0.00 0.10 0.49 0.00 -1.57 0.00 0.00 179.24 178.26 1ywh h ALA 255 N 1.90 1.88 -2.70 3.45 0.00 -1.63 -3.43 119.26 118.74 1ywh h ALA 255 Ca -0.00 0.22 -0.50 0.00 0.00 0.00 0.00 54.91 54.63 1ywh h ALA 255 Cb 0.46 0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.52 1ywh h ALA 255 CO 0.01 -0.66 0.47 -0.06 0.00 0.00 0.00 179.25 179.01 1ywh s PHE 256 N -5.68 3.32 -0.45 0.00 0.40 -0.83 -4.93 117.98 109.82 1ywh s PHE 256 Ca -0.10 1.63 -0.05 0.00 -0.60 0.00 0.00 56.93 57.81 1ywh s PHE 256 Cb 0.31 -3.28 -0.06 0.00 0.51 0.00 0.00 43.02 40.50 1ywh s PHE 256 CO 0.78 -0.83 3.06 -1.13 0.70 0.00 0.00 175.22 177.81 1ywh n SER 257 N 0.48 6.33 -3.93 1.36 3.41 -1.26 -4.84 113.62 115.17 1ywh n SER 257 Ca 0.02 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 1ywh n SER 257 Cb 0.47 -1.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.01 1ywh n SER 257 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ywh s MET 258 N -0.43 0.91 0.48 4.33 0.00 -1.26 -4.96 119.30 118.36 1ywh s MET 258 Ca 0.62 -1.08 0.05 0.00 0.00 0.00 0.00 55.69 55.28 1ywh s MET 258 Cb 0.33 0.33 0.02 0.00 0.00 0.00 0.00 34.83 35.51 1ywh s MET 258 CO -0.12 -0.29 0.67 -0.80 0.00 0.00 0.00 175.02 174.48 1ywh s ASN 259 N -2.91 5.48 -0.73 -1.18 0.02 -0.80 -4.73 114.94 110.09 1ywh s ASN 259 Ca 0.10 -0.23 -0.09 0.00 -1.02 0.00 0.00 52.86 51.62 1ywh s ASN 259 Cb 0.05 -0.76 0.01 0.00 0.02 0.00 0.00 41.25 40.58 1ywh s ASN 259 CO -0.07 -0.94 0.62 1.41 0.02 0.00 0.00 177.10 178.14 1ywh n HIS 260 N -2.08 -2.31 -3.30 2.20 8.25 -1.26 -1.17 115.22 115.55 1ywh n HIS 260 Ca 0.08 0.94 -0.38 0.00 -0.26 0.00 0.00 57.72 58.10 1ywh n HIS 260 Cb 0.59 -2.71 -0.06 0.00 1.12 0.00 0.00 29.99 28.94 1ywh n HIS 260 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1ywh s ILE 261 N -2.65 4.92 -0.09 1.59 2.07 -1.26 -4.25 121.20 121.52 1ywh s ILE 261 Ca 0.09 1.11 0.00 0.00 -1.41 0.00 0.00 60.65 60.45 1ywh s ILE 261 Cb -0.01 -3.86 0.02 0.00 0.13 0.00 0.00 42.46 38.74 1ywh s ILE 261 CO 0.88 0.48 -0.07 -0.62 -1.91 0.00 0.00 174.94 173.70 1ywh s ASP 262 N -0.55 1.86 -0.02 4.50 -1.08 0.05 -5.00 116.67 116.42 1ywh s ASP 262 Ca 0.28 -0.24 0.06 0.00 -0.52 0.00 0.00 52.55 52.13 1ywh s ASP 262 Cb -0.18 -0.72 -0.02 0.00 -1.46 0.00 0.00 42.92 40.55 1ywh s ASP 262 CO 0.16 -0.10 -0.22 0.68 0.52 0.00 0.00 175.17 176.21 1ywh s VAL 263 N 1.48 1.74 -0.02 1.11 -7.23 -1.26 -0.50 120.40 115.71 1ywh s VAL 263 Ca -0.00 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 1ywh s VAL 263 Cb -0.13 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 1ywh s VAL 263 CO -0.05 0.49 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.67 1ywh s SER 264 N -0.44 1.52 0.11 4.85 0.01 -0.18 -4.88 113.70 114.70 1ywh s SER 264 Ca 0.06 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.17 1ywh s SER 264 Cb -0.09 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1ywh s SER 264 CO -0.00 0.13 -0.16 0.00 0.41 0.00 0.00 173.24 173.62 1ywh n THR 267 N -0.50 1.50 -3.25 0.00 5.66 -1.26 -2.88 114.28 113.54 1ywh n THR 267 Ca 0.02 -0.02 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1ywh n THR 267 Cb 0.65 -2.20 -0.04 0.00 -1.55 0.00 0.00 70.33 67.19 1ywh n THR 267 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1ywh s LYS 268 N -2.71 3.72 0.19 1.09 2.47 -1.26 -4.76 119.74 118.49 1ywh s LYS 268 Ca -0.31 0.20 -0.32 0.00 -1.56 0.00 0.00 55.97 53.99 1ywh s LYS 268 Cb 0.07 -2.59 -0.15 0.00 -1.46 0.00 0.00 37.83 33.70 1ywh s LYS 268 CO 0.44 0.19 1.17 0.43 0.16 0.00 0.00 175.35 177.74 1ywh n SER 269 N -0.77 1.50 0.00 1.43 7.64 -1.26 -3.33 113.62 118.84 1ywh n SER 269 Ca -0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1ywh n SER 269 Cb 0.53 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.95 0.57 1.22 0.23 0.00 0.14 -4.93 105.19 104.37 1ywh n GLY 270 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.97 4.40 -4.60 0.00 3.02 -1.26 -4.95 115.26 112.85 1ywh n ASN 272 Ca 0.00 -3.51 -0.37 0.00 -0.03 0.00 0.00 54.58 50.67 1ywh n ASN 272 Cb 0.40 -0.73 0.07 0.00 -0.61 0.00 0.00 39.78 38.91 1ywh n ASN 272 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1ywh n HIS 273 N 0.59 0.58 -0.00 3.10 -0.00 -1.25 -4.74 115.22 113.50 1ywh n HIS 273 Ca 0.31 0.41 0.18 0.00 -0.00 0.00 0.00 57.72 58.61 1ywh n HIS 273 Cb 0.39 -2.09 0.31 0.00 -0.00 0.00 0.00 29.99 28.60 1ywh n HIS 273 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ywh h PRO 274 N 0.08 0.00 0.00 1.57 0.13 -1.95 -3.52 132.00 128.31 1ywh h PRO 274 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ywh h PRO 274 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ywh h PRO 274 CO 0.48 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.78