#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h28 n MET 1 N 0.00 0.17 0.15 1.43 2.00 -1.26 -3.47 117.12 116.14 1h28 n MET 1 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.75 1h28 n MET 1 Cb 0.00 -1.50 0.26 0.00 0.00 0.00 0.00 33.22 31.98 1h28 n MET 1 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1h28 n GLU 2 N -1.41 0.07 -0.00 0.03 2.13 -1.26 -1.77 120.64 118.43 1h28 n GLU 2 Ca 0.10 0.52 0.01 0.00 0.66 0.00 0.00 57.16 58.44 1h28 n GLU 2 Cb 0.30 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1h28 n GLU 2 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1h28 n ASN 3 N -1.92 1.13 -4.48 4.31 3.02 -1.23 -4.97 115.26 111.13 1h28 n ASN 3 Ca -0.01 -1.08 -0.29 0.00 -0.03 0.00 0.00 54.58 53.17 1h28 n ASN 3 Cb 0.39 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 1h28 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h28 s PHE 4 N -0.12 2.51 -0.11 3.10 0.08 -0.73 -1.72 117.98 121.00 1h28 s PHE 4 Ca 0.01 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1h28 s PHE 4 Cb 0.01 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1h28 s PHE 4 CO 0.01 0.37 -0.19 -1.14 -0.10 0.00 0.00 175.22 174.18 1h28 s GLN 5 N -2.10 2.58 0.45 0.44 2.00 -0.91 -4.94 119.66 117.19 1h28 s GLN 5 Ca 0.17 -0.70 -0.22 0.00 -2.00 0.00 0.00 55.36 52.61 1h28 s GLN 5 Cb -0.10 -2.08 -0.08 0.00 0.80 0.00 0.00 33.01 31.54 1h28 s GLN 5 CO 0.09 0.02 1.07 0.15 -0.50 0.00 0.00 175.29 176.13 1h28 s LYS 6 N 0.73 3.93 0.04 1.67 1.02 -1.26 -2.21 119.74 123.65 1h28 s LYS 6 Ca -0.11 1.52 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 1h28 s LYS 6 Cb -0.16 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1h28 s LYS 6 CO 0.02 -0.35 -0.03 0.28 -0.92 0.00 0.00 175.35 174.35 1h28 n VAL 7 N -0.50 0.73 -4.49 3.17 0.31 -0.04 -4.92 118.33 112.58 1h28 n VAL 7 Ca 0.07 0.24 -0.26 0.00 -0.01 0.00 0.00 64.34 64.39 1h28 n VAL 7 Cb 0.50 -1.42 -0.08 0.00 -0.91 0.00 0.00 33.84 31.93 1h28 n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1h28 n GLU 8 N -3.15 0.54 -3.67 5.55 0.28 -1.25 -5.01 120.64 113.94 1h28 n GLU 8 Ca -0.01 -3.59 -0.39 0.00 -0.16 0.00 0.00 57.16 53.01 1h28 n GLU 8 Cb 0.04 2.08 -0.12 0.00 1.43 0.00 0.00 31.44 34.88 1h28 n GLU 8 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1h28 s LYS 9 N -3.60 3.04 0.04 3.44 1.02 -1.26 -2.62 119.74 119.80 1h28 s LYS 9 Ca 0.24 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 55.17 1h28 s LYS 9 Cb 0.01 -3.57 -0.34 0.00 -0.52 0.00 0.00 37.83 33.41 1h28 s LYS 9 CO 0.17 -0.54 1.02 -0.84 -0.92 0.00 0.00 175.35 174.25 1h28 h ILE 10 N 5.83 1.29 -1.87 2.17 3.07 -0.92 -3.48 117.51 123.61 1h28 h ILE 10 Ca -0.29 -2.69 -0.01 0.00 1.55 0.00 0.00 64.86 63.42 1h28 h ILE 10 Cb 1.12 2.99 -0.22 0.00 -0.27 0.00 0.00 36.82 40.44 1h28 h ILE 10 CO 0.63 0.81 0.26 -0.83 -1.05 0.00 0.00 178.15 177.96 1h28 s GLY 11 N -4.58 -0.43 -0.00 0.16 0.00 -0.64 -5.04 107.32 96.79 1h28 s GLY 11 Ca -0.09 2.01 0.04 0.00 0.00 0.00 0.00 44.72 46.68 1h28 s GLY 11 CO 0.94 1.51 -0.13 1.85 0.00 0.00 0.00 173.10 177.28 1h28 s GLU 12 N -0.17 1.02 0.28 2.90 2.12 -1.26 0.12 118.70 123.70 1h28 s GLU 12 Ca -0.02 -0.50 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1h28 s GLU 12 Cb -0.03 -0.99 -0.00 0.00 0.26 0.00 0.00 34.13 33.36 1h28 s GLU 12 CO 0.02 0.27 0.46 0.20 -0.54 0.00 0.00 175.26 175.67 1h28 s GLY 13 N -0.41 0.87 0.00 -1.50 0.00 -1.10 -4.97 107.32 100.21 1h28 s GLY 13 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1h28 s GLY 13 CO -0.00 -0.78 0.00 -1.30 0.00 0.00 0.00 173.10 171.02 1h28 n THR 14 N -0.43 0.00 -0.15 0.90 -2.24 -1.26 -2.97 114.28 108.13 1h28 n THR 14 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1h28 n THR 14 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1h28 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1h28 n TYR 15 N 0.00 0.00 -0.79 4.78 4.02 -1.26 -5.07 117.16 118.83 1h28 n TYR 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1h28 n TYR 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1h28 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h28 n GLY 16 N 0.21 1.08 0.23 2.72 0.00 -1.16 -3.15 105.19 105.12 1h28 n GLY 16 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1h28 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h28 n VAL 17 N 0.00 0.00 -3.56 1.61 0.31 -1.25 -2.73 118.33 112.71 1h28 n VAL 17 Ca 0.00 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.05 1h28 n VAL 17 Cb 0.00 -0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 32.29 1h28 n VAL 17 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1h28 s VAL 18 N -0.09 -0.40 -0.06 2.52 1.01 0.32 -3.22 120.40 120.48 1h28 s VAL 18 Ca 0.02 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1h28 s VAL 18 Cb -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1h28 s VAL 18 CO 0.01 -0.03 -0.15 -0.31 0.00 0.00 0.00 175.10 174.63 1h28 s TYR 19 N 2.39 2.70 0.13 5.22 2.02 -0.08 -0.21 117.35 129.53 1h28 s TYR 19 Ca 0.05 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.20 1h28 s TYR 19 Cb -0.14 -1.65 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 1h28 s TYR 19 CO -0.11 0.12 1.39 0.21 -1.57 0.00 0.00 175.55 175.60 1h28 s LYS 20 N -0.58 4.32 -0.02 -0.62 2.20 -1.08 -0.71 119.74 123.25 1h28 s LYS 20 Ca 0.08 2.09 -0.06 0.00 -0.36 0.00 0.00 55.97 57.73 1h28 s LYS 20 Cb -0.11 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1h28 s LYS 20 CO 0.01 -0.43 0.13 0.00 -0.36 0.00 0.00 175.35 174.70 1h28 s ALA 21 N 0.98 -0.30 0.03 3.13 0.00 0.20 -0.86 121.76 124.93 1h28 s ALA 21 Ca 0.64 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1h28 s ALA 21 Cb -0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1h28 s ALA 21 CO 0.31 -0.14 -0.18 -0.98 0.00 0.00 0.00 175.76 174.77 1h28 s ARG 22 N -0.67 2.09 -0.41 0.00 1.70 -0.94 0.21 118.95 120.93 1h28 s ARG 22 Ca -0.08 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 54.02 1h28 s ARG 22 Cb -0.05 -2.19 0.02 0.00 -0.57 0.00 0.00 34.95 32.16 1h28 s ARG 22 CO 0.01 0.54 0.57 1.21 -1.08 0.00 0.00 175.30 176.55 1h28 s ASN 23 N -1.37 6.30 0.59 -2.89 3.84 -0.20 -2.13 114.94 119.08 1h28 s ASN 23 Ca 0.14 -0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.19 1h28 s ASN 23 Cb -0.10 -2.29 1.78 0.00 -0.55 0.00 0.00 41.25 40.09 1h28 s ASN 23 CO 0.05 -0.66 2.25 0.11 -2.79 0.00 0.00 177.10 176.05 1h28 h LYS 24 N 8.73 0.00 0.14 0.43 1.57 -1.68 0.72 116.57 126.48 1h28 h LYS 24 Ca -0.26 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.25 1h28 h LYS 24 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1h28 h LYS 24 CO 0.84 0.00 -1.30 -0.07 -0.57 0.00 0.00 179.45 178.35 1h28 h LEU 25 N 0.00 0.46 0.00 2.94 3.38 -1.93 -3.41 115.31 116.76 1h28 h LEU 25 Ca -0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1h28 h LEU 25 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1h28 h LEU 25 CO 0.00 1.59 -1.01 0.35 0.09 0.00 0.00 178.44 179.46 1h28 n THR 26 N -3.93 0.00 0.00 0.22 -2.24 -1.06 -5.00 114.28 102.27 1h28 n THR 26 Ca -0.22 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1h28 n THR 26 Cb 0.91 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 1h28 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h28 n GLY 27 N 1.43 2.35 3.73 3.38 0.00 0.25 -4.98 105.19 111.35 1h28 n GLY 27 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1h28 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h28 n GLU 28 N -1.94 2.74 -3.08 1.61 2.13 -1.25 -4.28 120.64 116.56 1h28 n GLU 28 Ca 0.00 0.98 -0.39 0.00 0.66 0.00 0.00 57.16 58.41 1h28 n GLU 28 Cb 0.00 -2.79 -0.05 0.00 0.27 0.00 0.00 31.44 28.87 1h28 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1h28 s VAL 29 N 0.56 5.07 0.18 6.31 1.01 -1.26 -1.03 120.40 131.23 1h28 s VAL 29 Ca 0.69 1.38 0.05 0.00 0.00 0.00 0.00 61.98 64.10 1h28 s VAL 29 Cb -0.50 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1h28 s VAL 29 CO 0.41 0.26 -0.09 0.68 0.00 0.00 0.00 175.10 176.36 1h28 s VAL 30 N 0.76 1.31 -0.19 2.92 -7.23 0.58 -3.43 120.40 115.12 1h28 s VAL 30 Ca 0.36 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1h28 s VAL 30 Cb -0.17 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1h28 s VAL 30 CO 0.17 -0.62 0.18 0.00 -0.31 0.00 0.00 175.10 174.52 1h28 s ALA 31 N -3.24 3.66 -0.26 1.32 0.00 0.84 0.59 121.76 124.68 1h28 s ALA 31 Ca 0.21 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1h28 s ALA 31 Cb 0.02 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.96 1h28 s ALA 31 CO 0.04 0.15 -0.10 -0.51 0.00 0.00 0.00 175.76 175.34 1h28 s LEU 32 N 0.36 3.35 -0.54 0.00 1.43 0.11 -0.52 118.68 122.88 1h28 s LEU 32 Ca 0.11 -1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1h28 s LEU 32 Cb -0.12 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.60 1h28 s LEU 32 CO -0.00 -0.17 0.67 -0.75 0.23 0.00 0.00 176.35 176.33 1h28 s LYS 33 N 1.17 3.10 0.22 1.70 2.20 -0.94 -0.90 119.74 126.29 1h28 s LYS 33 Ca -0.06 -1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 54.25 1h28 s LYS 33 Cb -0.19 -4.15 -0.09 0.00 -1.51 0.00 0.00 37.83 31.89 1h28 s LYS 33 CO -0.05 -1.35 1.24 0.21 -0.36 0.00 0.00 175.35 175.04 1h28 s LYS 34 N 2.74 4.45 -0.21 4.03 2.20 -1.20 -1.26 119.74 130.50 1h28 s LYS 34 Ca 0.15 1.98 0.02 0.00 -0.36 0.00 0.00 55.97 57.75 1h28 s LYS 34 Cb -0.20 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1h28 s LYS 34 CO 0.10 -0.13 -0.16 0.42 -0.36 0.00 0.00 175.35 175.23 1h28 s ILE 35 N -0.27 2.02 0.06 5.43 1.01 0.25 -3.79 121.20 125.92 1h28 s ILE 35 Ca 0.53 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1h28 s ILE 35 Cb -0.35 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1h28 s ILE 35 CO 0.40 0.30 1.09 -0.13 0.00 0.00 0.00 174.94 176.60 1h28 s ARG 36 N 1.25 4.52 0.00 2.79 0.52 -1.19 -0.46 118.95 126.38 1h28 s ARG 36 Ca -0.00 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1h28 s ARG 36 Cb -0.16 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.94 1h28 s ARG 36 CO -0.10 -0.10 0.00 1.28 0.02 0.00 0.00 175.30 176.41 1h28 n LEU 37 N 3.59 0.00 -0.11 2.53 4.77 -1.24 -4.83 117.00 121.71 1h28 n LEU 37 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1h28 n LEU 37 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1h28 n LEU 37 CO 0.54 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.07 1h28 n ASP 38 N 0.00 -0.62 -4.78 -1.43 8.00 -1.26 -4.81 116.55 111.66 1h28 n ASP 38 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1h28 n ASP 38 Cb 0.00 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1h28 n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h28 s THR 39 N -0.09 3.29 0.00 -3.53 2.01 -1.26 -3.61 115.64 112.45 1h28 s THR 39 Ca 0.00 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1h28 s THR 39 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1h28 s THR 39 CO 0.00 -0.18 0.00 -0.62 -0.69 0.00 0.00 174.62 173.13 1h28 n GLU 40 N -1.29 0.00 0.00 4.92 1.02 -1.26 -5.00 120.64 119.03 1h28 n GLU 40 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1h28 n GLU 40 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1h28 n GLU 40 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h28 n THR 41 N 0.00 0.00 0.90 2.62 -2.24 -1.24 -4.83 114.28 109.49 1h28 n THR 41 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h28 n THR 41 Cb 0.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1h28 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h28 n GLU 42 N -1.56 0.69 0.00 -0.78 -0.58 -1.26 -4.93 120.64 112.21 1h28 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1h28 n GLU 42 Cb 0.00 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1h28 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h28 n GLY 43 N 0.17 1.12 3.69 0.62 0.00 -1.26 -4.54 105.19 104.98 1h28 n GLY 43 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1h28 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h28 s VAL 44 N 0.00 4.25 0.77 1.61 1.01 -1.26 -4.60 120.40 122.18 1h28 s VAL 44 Ca 0.00 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 1h28 s VAL 44 Cb 0.00 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1h28 s VAL 44 CO 0.00 0.02 1.13 -2.16 0.00 0.00 0.00 175.10 174.09 1h28 s PRO 45 N 2.01 2.09 0.21 2.72 0.04 -1.26 -4.88 135.00 135.92 1h28 s PRO 45 Ca 0.56 1.40 0.24 0.00 0.04 0.00 0.00 61.00 63.24 1h28 s PRO 45 Cb -0.25 -1.86 0.27 0.00 0.04 0.00 0.00 34.50 32.70 1h28 s PRO 45 CO 0.23 -1.80 1.32 0.66 0.04 0.00 0.00 177.00 177.45 1h28 h SER 46 N -0.89 0.00 -0.19 6.66 4.64 -1.95 -2.70 113.55 119.12 1h28 h SER 46 Ca -0.45 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1h28 h SER 46 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1h28 h SER 46 CO 0.50 0.04 -0.13 0.71 -0.87 0.00 0.00 176.83 177.08 1h28 h THR 47 N 0.00 0.62 0.24 2.95 1.35 -1.94 -1.58 112.91 114.55 1h28 h THR 47 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1h28 h THR 47 Cb 0.87 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1h28 h THR 47 CO 0.00 0.00 -0.48 0.00 -0.25 0.00 0.00 175.52 174.79 1h28 h ALA 48 N 1.01 -0.94 -0.36 6.62 0.00 -1.82 2.46 119.26 126.23 1h28 h ALA 48 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1h28 h ALA 48 Cb 0.29 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1h28 h ALA 48 CO -0.27 -1.09 -0.18 0.82 0.00 0.00 0.00 179.25 178.53 1h28 h ILE 49 N -0.79 0.45 -0.62 0.00 2.04 -1.28 0.24 117.51 117.55 1h28 h ILE 49 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1h28 h ILE 49 Cb 0.76 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1h28 h ILE 49 CO -0.20 0.00 0.16 0.03 0.00 0.00 0.00 178.15 178.14 1h28 h ARG 50 N -0.13 0.98 -0.74 2.37 3.08 -1.02 -1.99 114.38 116.94 1h28 h ARG 50 Ca 0.18 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1h28 h ARG 50 Cb 0.40 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1h28 h ARG 50 CO -0.44 0.89 0.49 1.49 -1.07 0.00 0.00 179.97 181.33 1h28 h GLU 51 N 0.90 0.73 0.00 0.04 4.81 0.74 -2.21 114.58 119.60 1h28 h GLU 51 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1h28 h GLU 51 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1h28 h GLU 51 CO 0.00 0.48 -0.13 0.82 -0.73 0.00 0.00 179.01 179.46 1h28 h ILE 52 N 0.75 0.00 -1.30 2.32 2.04 -0.95 -2.99 117.51 117.38 1h28 h ILE 52 Ca 0.33 -0.36 0.39 0.00 1.00 0.00 0.00 64.86 66.22 1h28 h ILE 52 Cb 0.31 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 1h28 h ILE 52 CO -0.11 0.00 0.87 0.77 0.00 0.00 0.00 178.15 179.68 1h28 h SER 53 N -0.36 0.22 0.11 1.72 4.64 -1.41 0.44 113.55 118.91 1h28 h SER 53 Ca 0.00 0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 1h28 h SER 53 Cb 0.13 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1h28 h SER 53 CO 0.00 -0.06 -1.11 -0.07 -0.87 0.00 0.00 176.83 174.72 1h28 h LEU 54 N 0.14 0.36 -1.21 5.97 3.38 -1.55 -3.26 115.31 119.14 1h28 h LEU 54 Ca 0.73 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1h28 h LEU 54 Cb 2.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.97 1h28 h LEU 54 CO -0.27 1.49 0.56 0.25 0.09 0.00 0.00 178.44 180.56 1h28 h LEU 55 N -0.42 0.84 -2.65 1.67 5.85 -0.87 -1.93 115.31 117.81 1h28 h LEU 55 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1h28 h LEU 55 Cb 1.64 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1h28 h LEU 55 CO 0.07 0.54 0.00 0.11 -0.34 0.00 0.00 178.44 178.82 1h28 h LYS 56 N 0.95 0.00 -0.07 1.25 1.57 -0.26 -2.13 116.57 117.88 1h28 h LYS 56 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1h28 h LYS 56 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1h28 h LYS 56 CO -0.13 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.14 1h28 n GLU 57 N -2.93 1.16 -3.64 3.15 1.02 -0.75 -4.81 120.64 113.85 1h28 n GLU 57 Ca -0.03 -1.21 -0.39 0.00 -0.02 0.00 0.00 57.16 55.51 1h28 n GLU 57 Cb 0.08 -1.10 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 1h28 n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h28 s LEU 58 N -0.67 5.56 -0.28 -4.62 1.43 -0.80 -5.04 118.68 114.26 1h28 s LEU 58 Ca 0.07 -2.27 -0.03 0.00 -1.03 0.00 0.00 54.13 50.87 1h28 s LEU 58 Cb 0.04 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1h28 s LEU 58 CO 0.06 -0.56 -0.00 0.20 0.23 0.00 0.00 176.35 176.28 1h28 s ASN 59 N 1.87 4.75 -0.29 2.29 0.01 -1.26 -4.93 114.94 117.39 1h28 s ASN 59 Ca 0.10 -1.05 -0.19 0.00 -0.71 0.00 0.00 52.86 51.02 1h28 s ASN 59 Cb -0.22 -1.73 0.13 0.00 0.41 0.00 0.00 41.25 39.84 1h28 s ASN 59 CO -0.03 -0.21 0.97 -2.28 -1.51 0.00 0.00 177.10 174.04 1h28 s HIS 60 N 1.32 -0.58 0.42 2.20 2.46 -1.26 -5.02 115.29 114.83 1h28 s HIS 60 Ca -0.02 1.22 0.34 0.00 0.47 0.00 0.00 55.06 57.06 1h28 s HIS 60 Cb -0.18 0.37 1.38 0.00 -0.13 0.00 0.00 32.58 34.02 1h28 s HIS 60 CO -0.01 -0.28 1.37 -2.30 -2.47 0.00 0.00 174.74 171.05 1h28 n PRO 61 N 3.28 -0.02 -0.48 2.88 -0.02 -1.26 -0.40 135.00 138.98 1h28 n PRO 61 Ca -0.17 1.06 0.06 0.00 -2.02 0.00 0.00 63.50 62.42 1h28 n PRO 61 Cb 0.57 -2.18 0.23 0.00 -0.02 0.00 0.00 33.50 32.10 1h28 n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h28 n ASN 62 N -4.22 3.32 -4.30 2.55 4.13 -1.26 -4.78 115.26 110.69 1h28 n ASN 62 Ca 0.37 -3.22 -0.31 0.00 1.68 0.00 0.00 54.58 53.09 1h28 n ASN 62 Cb 1.51 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 39.04 1h28 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h28 s ILE 63 N -2.95 2.17 0.43 2.41 1.01 0.46 -1.17 121.20 123.57 1h28 s ILE 63 Ca 0.41 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 1h28 s ILE 63 Cb 0.35 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 1h28 s ILE 63 CO 0.06 0.57 1.33 -0.69 0.00 0.00 0.00 174.94 176.21 1h28 s VAL 64 N -0.32 2.45 -0.28 2.92 1.01 -0.81 -4.60 120.40 120.77 1h28 s VAL 64 Ca 0.01 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 1h28 s VAL 64 Cb -0.12 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1h28 s VAL 64 CO 0.02 0.05 0.34 -0.75 0.00 0.00 0.00 175.10 174.76 1h28 s LYS 65 N -2.39 3.96 0.17 2.72 2.20 -1.26 -4.99 119.74 120.16 1h28 s LYS 65 Ca 0.60 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 1h28 s LYS 65 Cb -0.39 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.18 1h28 s LYS 65 CO 0.50 -0.28 1.14 -1.17 -0.36 0.00 0.00 175.35 175.18 1h28 s LEU 66 N 2.01 4.46 -0.15 5.43 2.96 -1.26 -2.50 118.68 129.64 1h28 s LEU 66 Ca 0.13 2.13 -0.12 0.00 -0.22 0.00 0.00 54.13 56.06 1h28 s LEU 66 Cb -0.16 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1h28 s LEU 66 CO 0.10 -0.30 -0.26 0.18 -1.32 0.00 0.00 176.35 174.76 1h28 n LEU 67 N 2.54 1.59 -3.86 -0.68 4.77 0.21 -4.95 117.00 116.62 1h28 n LEU 67 Ca 0.04 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1h28 n LEU 67 Cb 0.46 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1h28 n LEU 67 CO 0.55 -0.06 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.78 1h28 s ASP 68 N -6.31 -0.01 -0.16 -1.43 -1.08 -1.19 -5.02 116.67 101.48 1h28 s ASP 68 Ca -0.24 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1h28 s ASP 68 Cb 0.06 0.22 -0.00 0.00 -1.46 0.00 0.00 42.92 41.75 1h28 s ASP 68 CO 0.33 -0.36 -0.15 0.54 0.52 0.00 0.00 175.17 176.05 1h28 s VAL 69 N -1.29 2.65 -0.37 1.11 0.11 -1.26 -0.66 120.40 120.69 1h28 s VAL 69 Ca -0.14 -0.77 -0.10 0.00 -2.93 0.00 0.00 61.98 58.04 1h28 s VAL 69 Cb -0.07 -2.12 0.03 0.00 -1.53 0.00 0.00 36.38 32.69 1h28 s VAL 69 CO 0.02 0.51 0.19 -0.63 -3.33 0.00 0.00 175.10 171.86 1h28 s ILE 70 N 0.86 4.46 -0.36 7.04 1.01 0.21 -4.98 121.20 129.45 1h28 s ILE 70 Ca -0.04 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1h28 s ILE 70 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1h28 s ILE 70 CO -0.01 -0.22 0.54 -1.00 0.00 0.00 0.00 174.94 174.25 1h28 s HIS 71 N 1.53 3.17 -0.56 3.97 3.76 -1.26 -1.87 115.29 124.02 1h28 s HIS 71 Ca 0.02 0.18 0.07 0.00 -0.15 0.00 0.00 55.06 55.17 1h28 s HIS 71 Cb -0.19 -2.99 0.25 0.00 1.11 0.00 0.00 32.58 30.76 1h28 s HIS 71 CO 0.06 -0.58 0.68 -2.37 -0.85 0.00 0.00 174.74 171.68 1h28 n THR 72 N 5.48 1.45 0.00 1.30 5.66 -0.97 -5.00 114.28 122.21 1h28 n THR 72 Ca -0.04 -4.86 0.00 0.00 -3.05 0.00 0.00 64.05 56.10 1h28 n THR 72 Cb 0.49 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.22 1h28 n THR 72 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1h28 n GLU 73 N 1.00 0.00 -0.03 1.09 2.13 -1.26 -1.88 120.64 121.69 1h28 n GLU 73 Ca 0.27 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.08 1h28 n GLU 73 Cb 0.45 -0.01 -0.08 0.00 0.27 0.00 0.00 31.44 32.07 1h28 n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1h28 n ASN 74 N 0.00 2.67 -4.17 4.31 0.23 -1.26 -4.91 115.26 112.13 1h28 n ASN 74 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1h28 n ASN 74 Cb 0.00 0.96 -0.10 0.00 -2.08 0.00 0.00 39.78 38.57 1h28 n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1h28 s LYS 75 N -2.38 1.15 0.01 -3.83 3.01 -0.79 -3.63 119.74 113.28 1h28 s LYS 75 Ca -0.04 -1.56 0.09 0.00 -1.01 0.00 0.00 55.97 53.44 1h28 s LYS 75 Cb 0.04 0.27 -0.02 0.00 -1.01 0.00 0.00 37.83 37.11 1h28 s LYS 75 CO 0.40 -0.37 -0.26 -0.51 0.51 0.00 0.00 175.35 175.12 1h28 s LEU 76 N -3.12 2.11 -0.18 3.17 1.02 0.39 -2.28 118.68 119.79 1h28 s LEU 76 Ca 0.34 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.97 1h28 s LEU 76 Cb 0.07 -1.29 0.03 0.00 0.02 0.00 0.00 46.19 45.01 1h28 s LEU 76 CO 0.09 0.28 -0.16 -0.31 0.02 0.00 0.00 176.35 176.28 1h28 s TYR 77 N -0.70 2.55 -0.30 0.29 2.02 -0.78 0.88 117.35 121.31 1h28 s TYR 77 Ca 0.11 -1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 55.01 1h28 s TYR 77 Cb -0.10 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1h28 s TYR 77 CO 0.01 -0.76 0.86 -0.51 -1.57 0.00 0.00 175.55 173.58 1h28 s LEU 78 N 1.36 4.06 -0.33 -1.29 1.43 -0.39 -0.62 118.68 122.90 1h28 s LEU 78 Ca 0.03 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 53.77 1h28 s LEU 78 Cb -0.14 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 1h28 s LEU 78 CO -0.11 -0.66 0.53 -0.69 0.23 0.00 0.00 176.35 175.65 1h28 s VAL 79 N 3.09 5.02 0.06 -1.59 1.01 0.17 -2.22 120.40 125.93 1h28 s VAL 79 Ca 0.36 0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1h28 s VAL 79 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1h28 s VAL 79 CO 0.12 -0.15 -0.13 -0.36 0.00 0.00 0.00 175.10 174.58 1h28 s PHE 80 N 2.41 2.69 0.44 5.22 0.08 0.33 0.63 117.98 129.78 1h28 s PHE 80 Ca 0.20 -0.18 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1h28 s PHE 80 Cb -0.15 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 40.71 1h28 s PHE 80 CO 0.12 0.35 0.71 -0.85 -0.10 0.00 0.00 175.22 175.45 1h28 n GLU 81 N 1.22 0.82 -3.14 0.44 0.28 -1.04 -0.11 120.64 119.11 1h28 n GLU 81 Ca -0.15 0.30 -0.39 0.00 -0.16 0.00 0.00 57.16 56.76 1h28 n GLU 81 Cb 0.52 -1.72 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 1h28 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1h28 s PHE 82 N -1.43 3.76 -0.07 -1.84 5.36 -1.22 -4.23 117.98 118.30 1h28 s PHE 82 Ca 0.65 1.34 0.04 0.00 -0.96 0.00 0.00 56.93 58.00 1h28 s PHE 82 Cb -0.56 -2.65 -0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1h28 s PHE 82 CO 0.57 0.42 -0.21 -0.51 -1.46 0.00 0.00 175.22 174.02 1h28 s LEU 83 N -0.52 1.98 0.07 6.12 1.43 -1.26 -4.97 118.68 121.52 1h28 s LEU 83 Ca 0.33 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1h28 s LEU 83 Cb -0.20 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1h28 s LEU 83 CO 0.20 0.16 0.63 1.57 0.23 0.00 0.00 176.35 179.14 1h28 n HIS 84 N 3.36 -0.18 -3.50 0.29 -0.00 -1.10 -4.73 115.22 109.36 1h28 n HIS 84 Ca -0.19 0.51 -0.11 0.00 -0.00 0.00 0.00 57.72 57.93 1h28 n HIS 84 Cb 0.53 -0.53 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1h28 n HIS 84 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1h28 s GLN 85 N -5.19 0.92 0.70 1.57 -2.07 -1.22 -5.04 119.66 109.33 1h28 s GLN 85 Ca -0.05 -0.22 -0.11 0.00 -1.82 0.00 0.00 55.36 53.16 1h28 s GLN 85 Cb 0.04 0.43 0.01 0.00 -1.09 0.00 0.00 33.01 32.40 1h28 s GLN 85 CO 0.25 -0.38 1.08 0.16 -1.32 0.00 0.00 175.29 175.08 1h28 s ASP 86 N -2.22 5.44 0.00 12.60 1.47 -1.26 -0.98 116.67 131.73 1h28 s ASP 86 Ca 0.01 1.30 0.11 0.00 1.18 0.00 0.00 52.55 55.16 1h28 s ASP 86 Cb -0.01 -2.16 0.52 0.00 -0.34 0.00 0.00 42.92 40.93 1h28 s ASP 86 CO -0.07 -1.36 1.33 -0.11 0.68 0.00 0.00 175.17 175.65 1h28 n LEU 87 N -3.04 0.00 0.02 2.11 7.94 0.12 -2.97 117.00 121.17 1h28 n LEU 87 Ca 0.07 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1h28 n LEU 87 Cb 0.56 -0.43 -0.09 0.00 0.53 0.00 0.00 43.42 43.99 1h28 n LEU 87 CO 0.57 -0.26 -0.37 1.17 -1.11 0.00 0.00 177.39 177.39 1h28 n LYS 88 N -1.43 0.63 -0.01 1.96 4.81 -1.24 -2.93 118.16 119.96 1h28 n LYS 88 Ca 0.04 0.18 -0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1h28 n LYS 88 Cb 0.12 -1.77 -0.10 0.00 0.02 0.00 0.00 35.03 33.30 1h28 n LYS 88 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1h28 h LYS 89 N 0.00 -0.07 -0.95 1.64 1.57 -1.88 -2.33 116.57 114.55 1h28 h LYS 89 Ca -0.18 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.79 1h28 h LYS 89 Cb 1.58 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.82 1h28 h LYS 89 CO 0.04 0.52 0.60 0.35 -0.57 0.00 0.00 179.45 180.40 1h28 h PHE 90 N -0.75 0.86 0.00 -1.35 3.57 -1.66 0.41 116.94 118.02 1h28 h PHE 90 Ca -0.01 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1h28 h PHE 90 Cb 0.62 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.10 1h28 h PHE 90 CO 0.14 0.25 -0.30 0.52 -2.23 0.00 0.00 178.31 176.69 1h28 h MET 91 N 0.67 0.20 -0.98 1.11 2.86 -1.61 -2.68 114.93 114.49 1h28 h MET 91 Ca 0.51 -0.22 0.18 0.00 -2.06 0.00 0.00 59.70 58.12 1h28 h MET 91 Cb 0.90 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.52 1h28 h MET 91 CO -0.27 0.96 0.58 -0.44 1.06 0.00 0.00 176.91 178.80 1h28 h ASP 92 N -0.47 0.74 0.81 1.22 3.32 -0.70 -1.63 116.42 119.72 1h28 h ASP 92 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1h28 h ASP 92 Cb 1.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1h28 h ASP 92 CO 0.06 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1h28 n ALA 93 N -2.35 1.81 -1.39 3.45 0.00 0.13 -3.18 120.51 118.99 1h28 n ALA 93 Ca 0.22 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1h28 n ALA 93 Cb 0.55 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.80 1h28 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h28 n SER 94 N -2.00 1.94 0.07 0.00 7.64 -0.65 -4.82 113.62 115.79 1h28 n SER 94 Ca 0.03 -3.41 0.20 0.00 1.01 0.00 0.00 58.87 56.71 1h28 n SER 94 Cb 0.26 -0.47 0.74 0.00 -1.01 0.00 0.00 64.21 63.73 1h28 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h28 h ALA 95 N 0.50 2.21 0.00 -0.43 0.00 -1.41 0.33 119.26 120.46 1h28 h ALA 95 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1h28 h ALA 95 Cb 1.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1h28 h ALA 95 CO 0.00 -0.62 -1.54 1.28 0.00 0.00 0.00 179.25 178.37 1h28 n LEU 96 N -3.93 2.18 0.16 0.00 4.32 -1.26 -4.70 117.00 113.77 1h28 n LEU 96 Ca 0.08 -0.04 -0.07 0.00 -0.02 0.00 0.00 56.01 55.96 1h28 n LEU 96 Cb 0.59 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 1h28 n LEU 96 CO 0.30 0.53 0.51 0.74 -1.22 0.00 0.00 177.39 178.26 1h28 h THR 97 N 0.00 0.00 0.00 -5.08 2.02 -1.86 -3.50 112.91 104.49 1h28 h THR 97 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1h28 h THR 97 Cb 1.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1h28 h THR 97 CO -0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1h28 n GLY 98 N -1.22 1.19 3.23 2.16 0.00 0.12 -5.00 105.19 105.67 1h28 n GLY 98 Ca -0.05 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1h28 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h28 s ILE 99 N -1.31 2.87 -0.28 -0.61 -1.09 -1.26 -4.86 121.20 114.66 1h28 s ILE 99 Ca 0.00 -0.70 -0.40 0.00 -2.23 0.00 0.00 60.65 57.31 1h28 s ILE 99 Cb 0.00 -2.30 -0.16 0.00 -1.58 0.00 0.00 42.46 38.43 1h28 s ILE 99 CO 0.00 0.44 1.74 -2.65 -1.23 0.00 0.00 174.94 173.24 1h28 n PRO 100 N 4.72 1.13 -0.31 2.79 -0.02 -1.26 -4.77 135.00 137.28 1h28 n PRO 100 Ca -0.19 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 1h28 n PRO 100 Cb 0.50 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 1h28 n PRO 100 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1h28 n LEU 101 N 5.36 -0.41 0.03 2.45 7.94 -1.26 0.12 117.00 131.23 1h28 n LEU 101 Ca 0.27 1.47 0.06 0.00 -1.11 0.00 0.00 56.01 56.69 1h28 n LEU 101 Cb 0.12 -0.40 0.28 0.00 0.53 0.00 0.00 43.42 43.96 1h28 n LEU 101 CO 0.81 -1.37 0.69 -2.65 -1.11 0.00 0.00 177.39 173.77 1h28 n PRO 102 N -5.32 0.04 -0.08 1.96 -0.02 -1.26 0.91 135.00 131.23 1h28 n PRO 102 Ca 0.11 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1h28 n PRO 102 Cb 0.39 -1.60 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 1h28 n PRO 102 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h28 h LEU 103 N 0.00 0.00 -0.18 2.45 5.85 0.57 -2.90 115.31 121.10 1h28 h LEU 103 Ca 0.00 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1h28 h LEU 103 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1h28 h LEU 103 CO 0.00 1.00 -0.11 -0.38 -0.34 0.00 0.00 178.44 178.61 1h28 n ILE 104 N -4.60 -0.12 -0.36 4.05 5.41 -0.98 0.51 119.36 123.28 1h28 n ILE 104 Ca -0.14 1.57 0.33 0.00 1.00 0.00 0.00 62.75 65.52 1h28 n ILE 104 Cb 0.40 -2.06 0.67 0.00 -0.71 0.00 0.00 39.64 37.95 1h28 n ILE 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1h28 h LYS 105 N 0.00 0.12 0.00 0.38 3.64 0.40 -1.63 116.57 119.48 1h28 h LYS 105 Ca 0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1h28 h LYS 105 Cb 0.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1h28 h LYS 105 CO -0.17 0.08 -0.59 1.03 -2.27 0.00 0.00 179.45 177.53 1h28 h SER 106 N 0.12 0.00 -0.93 4.20 0.87 -0.95 -2.97 113.55 113.90 1h28 h SER 106 Ca 0.62 -0.34 0.22 0.00 -1.23 0.00 0.00 61.79 61.06 1h28 h SER 106 Cb 2.16 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.95 1h28 h SER 106 CO -0.13 1.01 -0.05 1.88 -0.53 0.00 0.00 176.83 179.00 1h28 h TYR 107 N -1.00 -0.18 -0.29 2.24 -1.99 0.57 -0.65 116.97 115.68 1h28 h TYR 107 Ca -0.12 0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 1h28 h TYR 107 Cb 0.78 0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1h28 h TYR 107 CO 0.01 -0.38 -0.15 1.25 -0.00 0.00 0.00 178.16 178.89 1h28 h LEU 108 N 0.03 0.62 -0.74 3.88 5.85 -1.45 0.85 115.31 124.36 1h28 h LEU 108 Ca 0.52 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1h28 h LEU 108 Cb 0.96 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 1h28 h LEU 108 CO -0.88 0.90 -0.49 0.15 -0.34 0.00 0.00 178.44 177.78 1h28 h PHE 109 N 0.35 -1.49 0.37 1.25 3.57 -1.22 0.21 116.94 119.97 1h28 h PHE 109 Ca 0.06 0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1h28 h PHE 109 Cb 0.67 0.75 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1h28 h PHE 109 CO 0.06 -0.42 -0.30 1.96 -2.23 0.00 0.00 178.31 177.39 1h28 h GLN 110 N -0.16 -0.62 -0.68 1.11 4.20 -0.76 0.21 115.11 118.41 1h28 h GLN 110 Ca 0.18 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.02 1h28 h GLN 110 Cb 0.53 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 1h28 h GLN 110 CO -0.79 -0.42 -0.32 1.28 -0.67 0.00 0.00 178.83 177.91 1h28 n LEU 111 N -4.18 -0.56 0.21 1.46 4.77 0.26 0.10 117.00 119.07 1h28 n LEU 111 Ca -0.08 1.19 0.08 0.00 -0.03 0.00 0.00 56.01 57.18 1h28 n LEU 111 Cb 0.28 -0.22 0.44 0.00 -2.33 0.00 0.00 43.42 41.59 1h28 n LEU 111 CO 0.18 -1.03 0.77 -0.07 -1.33 0.00 0.00 177.39 175.91 1h28 h LEU 112 N 0.00 0.00 -0.44 2.23 3.38 -0.54 0.18 115.31 120.12 1h28 h LEU 112 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1h28 h LEU 112 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1h28 h LEU 112 CO -0.66 0.28 0.01 1.56 0.09 0.00 0.00 178.44 179.72 1h28 h GLN 113 N 0.00 0.78 -0.31 1.13 4.20 0.28 -0.32 115.11 120.87 1h28 h GLN 113 Ca -0.00 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1h28 h GLN 113 Cb 0.74 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1h28 h GLN 113 CO 0.04 0.83 0.08 0.78 -0.67 0.00 0.00 178.83 179.89 1h28 h GLY 114 N 0.62 0.53 0.98 3.46 0.00 -0.34 -2.58 103.07 105.75 1h28 h GLY 114 Ca 0.13 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1h28 h GLY 114 CO 0.02 0.31 0.05 -2.00 0.00 0.00 0.00 176.54 174.91 1h28 h LEU 115 N 0.34 0.79 -1.63 3.11 5.85 -0.92 0.28 115.31 123.13 1h28 h LEU 115 Ca 0.10 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1h28 h LEU 115 Cb 0.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1h28 h LEU 115 CO 0.00 0.87 -0.05 0.00 -0.34 0.00 0.00 178.44 178.92 1h28 h ALA 116 N 0.95 1.70 0.13 1.25 0.00 -1.01 0.29 119.26 122.57 1h28 h ALA 116 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h28 h ALA 116 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h28 h ALA 116 CO 0.02 0.23 -0.06 0.35 0.00 0.00 0.00 179.25 179.78 1h28 h PHE 117 N 0.17 -0.16 0.00 0.00 3.57 -1.21 -1.24 116.94 118.06 1h28 h PHE 117 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1h28 h PHE 117 Cb 0.21 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1h28 h PHE 117 CO 0.00 0.23 0.00 0.00 -2.23 0.00 0.00 178.31 176.31 1h28 h HIS 119 N 0.00 0.22 0.00 0.00 3.86 -0.51 -0.16 115.15 118.55 1h28 h HIS 119 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1h28 h HIS 119 Cb 0.00 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1h28 h HIS 119 CO -0.77 -0.11 0.00 0.77 0.86 0.00 0.00 177.93 178.69 1h28 h SER 120 N 0.24 0.00 -0.76 2.45 0.02 -0.91 0.19 113.55 114.78 1h28 h SER 120 Ca 0.40 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.97 1h28 h SER 120 Cb 0.69 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.00 1h28 h SER 120 CO -0.52 0.00 0.38 1.41 -1.14 0.00 0.00 176.83 176.96 1h28 n HIS 121 N -2.73 2.36 -4.30 3.45 8.25 -0.11 -4.96 115.22 117.18 1h28 n HIS 121 Ca 0.00 -1.71 -0.38 0.00 -0.26 0.00 0.00 57.72 55.37 1h28 n HIS 121 Cb 0.20 -0.77 -0.05 0.00 1.12 0.00 0.00 29.99 30.49 1h28 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h28 n ARG 122 N -1.06 -1.87 -4.68 -0.41 -4.01 0.68 -4.95 116.66 100.35 1h28 n ARG 122 Ca 0.49 0.24 -0.33 0.00 -1.04 0.00 0.00 57.85 57.21 1h28 n ARG 122 Cb 1.44 -4.89 -0.15 0.00 -3.04 0.00 0.00 32.46 25.83 1h28 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h28 s VAL 123 N -3.20 2.87 -0.05 8.89 1.01 -0.96 -1.79 120.40 127.16 1h28 s VAL 123 Ca 0.76 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1h28 s VAL 123 Cb -0.43 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1h28 s VAL 123 CO 0.93 0.52 0.25 -0.76 0.00 0.00 0.00 175.10 176.03 1h28 s LEU 124 N 0.56 4.41 -0.20 3.92 1.43 0.23 -3.52 118.68 125.51 1h28 s LEU 124 Ca -0.09 0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 53.42 1h28 s LEU 124 Cb -0.16 -2.37 -0.20 0.00 0.03 0.00 0.00 46.19 43.49 1h28 s LEU 124 CO 0.04 0.34 0.28 -0.74 0.23 0.00 0.00 176.35 176.50 1h28 h HIS 125 N 4.63 0.03 -0.40 0.29 -0.00 -1.88 -1.30 115.15 116.52 1h28 h HIS 125 Ca -0.53 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 59.65 1h28 h HIS 125 Cb 1.22 -0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.56 1h28 h HIS 125 CO 0.73 1.46 -0.16 0.54 -0.00 0.00 0.00 177.93 180.49 1h28 n ARG 126 N -4.40 -1.29 -2.72 5.26 1.74 -1.26 -3.09 116.66 110.90 1h28 n ARG 126 Ca -0.30 0.74 -0.08 0.00 -0.77 0.00 0.00 57.85 57.44 1h28 n ARG 126 Cb 0.68 -4.89 0.09 0.00 -1.02 0.00 0.00 32.46 27.32 1h28 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h28 n ASP 127 N -0.65 -2.13 -4.75 0.55 2.03 -1.26 -3.62 116.55 106.72 1h28 n ASP 127 Ca -0.08 -3.31 -0.38 0.00 0.52 0.00 0.00 54.79 51.53 1h28 n ASP 127 Cb 0.45 1.74 -0.06 0.00 -0.72 0.00 0.00 41.12 42.54 1h28 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h28 s LEU 128 N -2.17 4.36 0.04 -2.67 1.43 -1.26 -4.86 118.68 113.56 1h28 s LEU 128 Ca 0.21 1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 54.04 1h28 s LEU 128 Cb 0.30 -2.81 0.10 0.00 0.03 0.00 0.00 46.19 43.81 1h28 s LEU 128 CO -0.08 0.08 1.16 -1.59 0.23 0.00 0.00 176.35 176.15 1h28 s LYS 129 N 0.08 0.70 0.26 1.70 -2.85 -1.26 -4.88 119.74 113.49 1h28 s LYS 129 Ca 0.29 -0.38 -0.04 0.00 -1.00 0.00 0.00 55.97 54.83 1h28 s LYS 129 Cb -0.17 0.24 0.31 0.00 -2.06 0.00 0.00 37.83 36.15 1h28 s LYS 129 CO 0.14 -0.32 1.84 -1.35 0.10 0.00 0.00 175.35 175.77 1h28 h PRO 130 N 2.00 1.06 0.00 1.78 0.11 -1.93 -2.62 132.00 132.40 1h28 h PRO 130 Ca -0.27 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1h28 h PRO 130 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1h28 h PRO 130 CO 0.27 0.84 0.00 1.04 -0.21 0.00 0.00 178.00 179.94 1h28 n GLN 131 N -4.31 0.14 0.00 1.05 3.00 -1.26 -1.68 117.38 114.32 1h28 n GLN 131 Ca 0.07 0.56 0.05 0.00 -0.01 0.00 0.00 57.00 57.67 1h28 n GLN 131 Cb 0.16 -1.89 0.03 0.00 0.00 0.00 0.00 30.24 28.54 1h28 n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1h28 n ASN 132 N -2.17 1.65 -4.37 1.08 3.02 -1.00 -4.85 115.26 108.62 1h28 n ASN 132 Ca -0.00 -1.32 -0.35 0.00 -0.03 0.00 0.00 54.58 52.87 1h28 n ASN 132 Cb 0.09 0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.28 1h28 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h28 s LEU 133 N -1.13 3.06 -0.06 3.41 1.43 -0.68 -2.04 118.68 122.68 1h28 s LEU 133 Ca 0.11 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1h28 s LEU 133 Cb 0.09 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1h28 s LEU 133 CO 0.17 0.01 0.04 -0.76 0.23 0.00 0.00 176.35 176.04 1h28 s LEU 134 N 1.29 3.75 0.35 1.79 1.43 -1.06 0.13 118.68 126.37 1h28 s LEU 134 Ca 0.04 0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1h28 s LEU 134 Cb -0.14 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 1h28 s LEU 134 CO -0.00 0.35 -0.08 0.27 0.23 0.00 0.00 176.35 177.12 1h28 s ILE 135 N -0.99 2.15 0.09 -0.59 -4.36 -0.15 -0.44 121.20 116.91 1h28 s ILE 135 Ca 0.16 -2.17 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1h28 s ILE 135 Cb -0.12 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 1h28 s ILE 135 CO 0.06 -0.19 -0.14 0.54 0.24 0.00 0.00 174.94 175.45 1h28 s ASN 136 N -3.60 1.83 0.00 4.36 2.20 -1.06 -2.72 114.94 115.95 1h28 s ASN 136 Ca 0.33 -0.71 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 1h28 s ASN 136 Cb 0.03 -0.06 0.00 0.00 -2.00 0.00 0.00 41.25 39.23 1h28 s ASN 136 CO 0.16 -0.11 0.00 0.35 -2.94 0.00 0.00 177.10 174.56 1h28 n THR 137 N 0.93 0.00 0.76 0.54 -2.24 -1.26 0.21 114.28 113.22 1h28 n THR 137 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1h28 n THR 137 Cb 0.55 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.96 1h28 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h28 n GLU 138 N -2.96 2.36 -1.26 -0.78 1.02 -1.26 -4.41 120.64 113.34 1h28 n GLU 138 Ca 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 1h28 n GLU 138 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1h28 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h28 n GLY 139 N 1.40 0.92 3.98 0.62 0.00 0.13 -4.84 105.19 107.41 1h28 n GLY 139 Ca 0.16 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 1h28 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h28 s ALA 140 N -2.00 4.38 -0.17 4.61 0.00 -1.25 -4.93 121.76 122.39 1h28 s ALA 140 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 1h28 s ALA 140 Cb 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1h28 s ALA 140 CO 0.00 -0.20 0.45 -1.50 0.00 0.00 0.00 175.76 174.51 1h28 s ILE 141 N -2.32 -0.01 -0.05 0.00 2.07 -1.26 -2.57 121.20 117.07 1h28 s ILE 141 Ca 0.51 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1h28 s ILE 141 Cb -0.09 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.89 1h28 s ILE 141 CO 0.32 0.01 0.01 -0.54 -1.91 0.00 0.00 174.94 172.83 1h28 s LYS 142 N 0.55 0.33 0.18 3.50 1.02 0.41 -4.48 119.74 121.24 1h28 s LYS 142 Ca -0.02 0.16 -0.14 0.00 0.02 0.00 0.00 55.97 55.98 1h28 s LYS 142 Cb -0.04 -0.67 -0.09 0.00 -0.52 0.00 0.00 37.83 36.51 1h28 s LYS 142 CO -0.03 -0.24 0.17 1.28 -0.92 0.00 0.00 175.35 175.61 1h28 n LEU 143 N 4.76 -1.21 0.00 3.17 4.77 -0.32 -2.55 117.00 125.62 1h28 n LEU 143 Ca -0.14 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1h28 n LEU 143 Cb 0.50 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1h28 n LEU 143 CO 0.14 -2.09 0.00 0.00 -1.33 0.00 0.00 177.39 174.11 1h28 n ALA 144 N -0.30 0.00 -0.65 -1.18 0.00 -0.86 -1.93 120.51 115.58 1h28 n ALA 144 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 1h28 n ALA 144 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1h28 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h28 n ASP 145 N 0.00 -0.18 -0.89 0.00 -0.08 -1.26 -4.86 116.55 109.28 1h28 n ASP 145 Ca 0.00 0.01 0.07 0.00 -1.51 0.00 0.00 54.79 53.36 1h28 n ASP 145 Cb 0.00 -0.04 0.20 0.00 2.34 0.00 0.00 41.12 43.62 1h28 n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h28 n PHE 146 N 0.45 0.68 -0.11 -0.67 3.01 -1.26 -4.52 117.46 115.04 1h28 n PHE 146 Ca -0.00 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1h28 n PHE 146 Cb 0.01 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 1h28 n PHE 146 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h28 n GLY 147 N 1.09 -0.57 0.93 1.37 0.00 -1.26 -1.05 105.19 105.69 1h28 n GLY 147 Ca 0.15 0.33 0.09 0.00 0.00 0.00 0.00 46.02 46.59 1h28 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h28 n LEU 148 N -4.45 3.15 -4.73 0.99 7.99 -1.26 -4.63 117.00 114.06 1h28 n LEU 148 Ca 0.04 -1.63 -0.35 0.00 -0.01 0.00 0.00 56.01 54.06 1h28 n LEU 148 Cb 0.13 -0.24 0.08 0.00 -0.11 0.00 0.00 43.42 43.28 1h28 n LEU 148 CO -0.04 0.72 0.82 0.00 -1.51 0.00 0.00 177.39 177.38 1h28 s ALA 149 N -1.19 2.23 0.06 -1.18 0.00 -0.22 -4.65 121.76 116.81 1h28 s ALA 149 Ca 0.32 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 53.05 1h28 s ALA 149 Cb 0.18 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1h28 s ALA 149 CO 0.25 -1.71 0.42 0.50 0.00 0.00 0.00 175.76 175.22 1h28 s ARG 150 N -3.74 0.97 -0.25 0.00 3.52 -0.49 -4.84 118.95 114.12 1h28 s ARG 150 Ca 0.76 -0.43 -0.23 0.00 -0.13 0.00 0.00 55.73 55.70 1h28 s ARG 150 Cb -0.31 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 1h28 s ARG 150 CO 0.42 -0.35 0.76 0.00 -0.81 0.00 0.00 175.30 175.32 1h28 s ALA 151 N -2.80 3.63 0.65 6.12 0.00 -1.26 -0.60 121.76 127.50 1h28 s ALA 151 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1h28 s ALA 151 Cb -0.00 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.99 1h28 s ALA 151 CO -0.05 -0.90 0.91 -0.59 0.00 0.00 0.00 175.76 175.13 1h28 s PHE 152 N 2.73 2.47 0.49 0.00 -0.12 -0.74 -4.97 117.98 117.83 1h28 s PHE 152 Ca 0.32 0.02 0.02 0.00 -0.05 0.00 0.00 56.93 57.24 1h28 s PHE 152 Cb -0.15 -2.96 -0.02 0.00 -0.63 0.00 0.00 43.02 39.26 1h28 s PHE 152 CO 0.08 -1.29 0.03 0.20 -0.05 0.00 0.00 175.22 174.19 1h28 s GLY 153 N -4.55 2.93 -0.15 1.99 0.00 -1.26 -4.91 107.32 101.37 1h28 s GLY 153 Ca 0.61 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 1h28 s GLY 153 CO 0.42 -2.11 -0.01 0.14 0.00 0.00 0.00 173.10 171.54 1h28 s VAL 154 N -2.96 0.73 0.18 1.40 1.01 -1.26 -3.70 120.40 115.81 1h28 s VAL 154 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1h28 s VAL 154 Cb 0.02 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1h28 s VAL 154 CO 0.06 0.04 0.21 -2.65 0.00 0.00 0.00 175.10 172.76 1h28 n PRO 155 N 5.00 -0.63 -3.04 2.72 -0.02 -1.26 -5.11 135.00 132.66 1h28 n PRO 155 Ca -0.10 -0.33 -0.25 0.00 -2.02 0.00 0.00 63.50 60.80 1h28 n PRO 155 Cb 0.48 -0.25 -0.00 0.00 -0.02 0.00 0.00 33.50 33.71 1h28 n PRO 155 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1h28 s VAL 156 N -1.43 4.89 0.47 -1.45 -7.23 -1.24 -5.08 120.40 109.33 1h28 s VAL 156 Ca 0.12 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.16 1h28 s VAL 156 Cb -0.01 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 33.14 1h28 s VAL 156 CO 0.09 -0.64 0.52 -0.60 -0.31 0.00 0.00 175.10 174.16 1h28 s ARG 157 N -4.51 2.53 0.06 4.82 3.52 -1.26 -5.01 118.95 119.09 1h28 s ARG 157 Ca 0.44 -1.55 -0.31 0.00 -0.13 0.00 0.00 55.73 54.19 1h28 s ARG 157 Cb -0.10 -2.50 -0.06 0.00 -1.56 0.00 0.00 34.95 30.73 1h28 s ARG 157 CO 0.40 -0.42 1.31 0.99 -0.81 0.00 0.00 175.30 176.77 1h28 s THR 158 N -2.52 3.70 0.00 4.11 2.01 -1.26 -4.52 115.64 117.15 1h28 s THR 158 Ca 0.51 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1h28 s THR 158 Cb -0.05 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1h28 s THR 158 CO 0.31 0.07 0.00 -1.22 -0.69 0.00 0.00 174.62 173.08 1h28 n TYR 159 N 4.31 0.00 0.00 4.92 4.01 -1.26 -5.08 117.16 124.06 1h28 n TYR 159 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1h28 n TYR 159 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1h28 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h28 n HIS 161 N -1.66 0.00 -0.96 -0.72 -0.00 -1.26 -5.00 115.22 105.62 1h28 n HIS 161 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 1h28 n HIS 161 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1h28 n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1h28 n GLU 162 N -0.26 1.69 -3.91 1.57 4.71 -1.26 -4.87 120.64 118.31 1h28 n GLU 162 Ca 0.00 -1.66 -0.11 0.00 -0.01 0.00 0.00 57.16 55.38 1h28 n GLU 162 Cb 0.00 -2.71 -0.12 0.00 -1.01 0.00 0.00 31.44 27.60 1h28 n GLU 162 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1h28 s VAL 163 N 4.38 0.05 0.25 2.62 0.11 -1.26 -5.02 120.40 121.54 1h28 s VAL 163 Ca 0.49 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1h28 s VAL 163 Cb 0.12 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.80 1h28 s VAL 163 CO 0.06 -0.24 0.00 0.52 -3.33 0.00 0.00 175.10 172.11 1h28 n VAL 164 N 2.32 -3.30 -1.66 2.04 0.31 -1.24 -4.83 118.33 111.97 1h28 n VAL 164 Ca -0.18 1.28 -0.44 0.00 -0.01 0.00 0.00 64.34 64.99 1h28 n VAL 164 Cb 0.57 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 1h28 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h28 n THR 165 N -0.69 1.41 -0.38 2.52 -1.04 -1.26 -4.65 114.28 110.18 1h28 n THR 165 Ca 0.00 -0.35 -0.01 0.00 -2.04 0.00 0.00 64.05 61.65 1h28 n THR 165 Cb 0.00 -1.37 0.04 0.00 -1.82 0.00 0.00 70.33 67.18 1h28 n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1h28 n LEU 166 N 1.60 -0.65 -0.14 -4.42 7.94 -1.26 -1.46 117.00 118.61 1h28 n LEU 166 Ca 0.10 1.73 0.13 0.00 -1.11 0.00 0.00 56.01 56.85 1h28 n LEU 166 Cb 0.32 -0.40 0.48 0.00 0.53 0.00 0.00 43.42 44.35 1h28 n LEU 166 CO 0.62 -1.55 1.20 -0.50 -1.11 0.00 0.00 177.39 176.05 1h28 h TRP 167 N 0.00 0.52 -0.29 1.96 4.06 -1.85 -2.57 115.95 117.78 1h28 h TRP 167 Ca 0.34 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.31 1h28 h TRP 167 Cb 0.59 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1h28 h TRP 167 CO -0.87 0.23 0.00 0.66 -3.56 0.00 0.00 178.44 174.90 1h28 n TYR 168 N -4.48 0.37 -2.14 0.49 4.01 -0.53 -4.64 117.16 110.23 1h28 n TYR 168 Ca 0.12 -0.23 -0.43 0.00 -0.16 0.00 0.00 57.90 57.20 1h28 n TYR 168 Cb 0.43 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 1h28 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h28 s ARG 169 N -1.31 3.98 0.83 -0.72 3.52 -0.97 -4.15 118.95 120.12 1h28 s ARG 169 Ca 0.30 1.80 -0.11 0.00 -0.13 0.00 0.00 55.73 57.59 1h28 s ARG 169 Cb 0.18 -3.97 0.09 0.00 -1.56 0.00 0.00 34.95 29.69 1h28 s ARG 169 CO 0.25 -1.06 1.09 0.00 -0.81 0.00 0.00 175.30 174.77 1h28 s ALA 170 N 4.56 1.99 -0.02 6.12 0.00 -1.26 -4.79 121.76 128.36 1h28 s ALA 170 Ca 0.69 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1h28 s ALA 170 Cb -0.27 -3.16 -0.25 0.00 0.00 0.00 0.00 23.12 19.44 1h28 s ALA 170 CO 0.27 -1.96 1.04 -1.35 0.00 0.00 0.00 175.76 173.75 1h28 h PRO 171 N -1.26 0.33 -0.94 0.00 0.11 -1.94 -2.51 132.00 125.79 1h28 h PRO 171 Ca -0.47 -0.38 0.27 0.00 0.11 0.00 0.00 66.00 65.52 1h28 h PRO 171 Cb 1.27 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 1h28 h PRO 171 CO 0.56 1.09 1.04 1.05 -0.21 0.00 0.00 178.00 181.52 1h28 h GLU 172 N -0.27 0.00 0.00 1.05 9.09 -1.93 1.03 114.58 123.55 1h28 h GLU 172 Ca -0.07 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.21 1h28 h GLU 172 Cb 1.30 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.38 1h28 h GLU 172 CO 0.11 0.00 -0.77 0.82 0.05 0.00 0.00 179.01 179.22 1h28 h ILE 173 N 0.00 0.93 -0.29 -1.06 2.04 -1.89 -1.56 117.51 115.67 1h28 h ILE 173 Ca 0.44 -1.97 0.03 0.00 1.00 0.00 0.00 64.86 64.37 1h28 h ILE 173 Cb 2.51 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 40.57 1h28 h ILE 173 CO -0.00 0.31 -0.35 -0.07 0.00 0.00 0.00 178.15 178.04 1h28 h LEU 174 N -1.00 -1.18 -1.57 1.44 3.38 0.12 -0.60 115.31 115.90 1h28 h LEU 174 Ca -0.19 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h28 h LEU 174 Cb 1.03 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1h28 h LEU 174 CO -0.12 -0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.36 1h28 n LEU 175 N -4.36 0.45 -1.04 1.67 4.77 0.21 -4.77 117.00 113.93 1h28 n LEU 175 Ca -0.02 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.67 1h28 n LEU 175 Cb 0.21 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1h28 n LEU 175 CO -0.01 0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 176.74 1h28 n GLY 176 N 0.68 0.30 3.78 -0.72 0.00 -0.23 -3.01 105.19 105.99 1h28 n GLY 176 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1h28 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h28 h LYS 178 N -0.14 0.23 -6.00 0.00 2.10 -1.94 -3.46 116.57 107.34 1h28 h LYS 178 Ca -0.46 -0.39 -0.67 0.00 -2.00 0.00 0.00 60.65 57.13 1h28 h LYS 178 Cb 1.23 0.14 -0.13 0.00 -0.90 0.00 0.00 32.23 32.57 1h28 h LYS 178 CO 0.55 1.08 -0.61 0.71 -2.00 0.00 0.00 179.45 179.17 1h28 s TYR 179 N -2.57 3.18 0.27 0.07 2.02 -1.26 -4.19 117.35 114.87 1h28 s TYR 179 Ca -0.17 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1h28 s TYR 179 Cb 0.07 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1h28 s TYR 179 CO 0.80 0.49 0.39 1.52 -1.57 0.00 0.00 175.55 177.18 1h28 s TYR 180 N -0.99 0.83 0.00 2.71 -0.85 -1.26 -4.96 117.35 112.83 1h28 s TYR 180 Ca 0.16 -1.10 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 1h28 s TYR 180 Cb -0.11 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.12 1h28 s TYR 180 CO 0.06 -0.96 0.00 0.45 -1.52 0.00 0.00 175.55 173.58 1h28 n SER 181 N -0.74 1.73 -0.34 -0.18 2.88 -1.26 -4.89 113.62 110.82 1h28 n SER 181 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1h28 n SER 181 Cb 0.63 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.24 1h28 n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1h28 h THR 182 N 0.00 1.21 -1.00 2.46 1.35 -1.98 -2.18 112.91 112.77 1h28 h THR 182 Ca 0.00 -0.43 0.35 0.00 -0.55 0.00 0.00 66.41 65.79 1h28 h THR 182 Cb 0.00 -0.15 -0.16 0.00 -1.73 0.00 0.00 68.15 66.11 1h28 h THR 182 CO 0.00 0.23 0.55 0.00 -0.25 0.00 0.00 175.52 176.05 1h28 h ALA 183 N 1.42 2.01 0.00 6.62 0.00 -1.90 1.14 119.26 128.55 1h28 h ALA 183 Ca 0.36 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1h28 h ALA 183 Cb -0.08 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1h28 h ALA 183 CO -0.09 -0.70 -0.06 -0.39 0.00 0.00 0.00 179.25 178.00 1h28 h VAL 184 N 0.21 0.36 0.00 0.00 -1.51 -1.80 0.30 116.25 113.80 1h28 h VAL 184 Ca 0.77 -0.35 -0.13 0.00 -1.23 0.00 0.00 66.70 65.76 1h28 h VAL 184 Cb 1.86 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 1h28 h VAL 184 CO -0.66 0.06 -0.62 0.44 -1.23 0.00 0.00 177.57 175.56 1h28 h ASP 185 N 0.00 0.00 0.45 4.19 3.32 0.12 -3.22 116.42 121.28 1h28 h ASP 185 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h28 h ASP 185 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1h28 h ASP 185 CO 0.01 0.62 -0.87 -0.38 -1.72 0.00 0.00 179.24 176.90 1h28 n ILE 186 N -3.38 0.13 -0.12 0.35 2.08 0.89 -2.53 119.36 116.80 1h28 n ILE 186 Ca 0.01 -0.17 -0.13 0.00 0.56 0.00 0.00 62.75 63.02 1h28 n ILE 186 Cb 0.73 0.26 -0.01 0.00 -0.75 0.00 0.00 39.64 39.87 1h28 n ILE 186 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 1h28 h TRP 187 N 0.00 1.11 0.29 1.39 2.91 -1.16 -2.65 115.95 117.84 1h28 h TRP 187 Ca 0.00 -0.32 -0.01 0.00 1.13 0.00 0.00 58.89 59.68 1h28 h TRP 187 Cb 0.66 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1h28 h TRP 187 CO 0.00 1.15 -0.14 0.77 -1.03 0.00 0.00 178.44 179.19 1h28 h SER 188 N 0.76 -0.33 -0.92 2.65 0.02 -1.57 -0.85 113.55 113.32 1h28 h SER 188 Ca 0.07 -0.21 0.23 0.00 -0.84 0.00 0.00 61.79 61.04 1h28 h SER 188 Cb 0.95 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.45 1h28 h SER 188 CO 0.09 0.10 0.43 -0.07 -1.14 0.00 0.00 176.83 176.25 1h28 h LEU 189 N -0.84 0.38 -0.03 5.07 3.38 -1.62 0.33 115.31 121.99 1h28 h LEU 189 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h28 h LEU 189 Cb 0.52 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1h28 h LEU 189 CO 0.06 -0.00 -0.08 1.23 0.09 0.00 0.00 178.44 179.74 1h28 h GLY 190 N 0.41 -1.56 -0.88 0.83 0.00 -0.87 2.09 103.07 103.10 1h28 h GLY 190 Ca 0.59 0.70 0.08 0.00 0.00 0.00 0.00 47.33 48.70 1h28 h GLY 190 CO -0.53 -0.56 -0.51 0.00 0.00 0.00 0.00 176.54 174.93 1h28 h ILE 192 N 0.00 0.86 0.00 0.00 1.08 0.14 0.39 117.51 119.98 1h28 h ILE 192 Ca 0.15 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1h28 h ILE 192 Cb 0.37 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1h28 h ILE 192 CO -0.83 0.13 0.00 0.33 -0.69 0.00 0.00 178.15 177.09 1h28 n PHE 193 N -4.79 0.00 -0.31 1.37 7.35 0.69 -0.79 117.46 120.98 1h28 n PHE 193 Ca 0.14 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.98 1h28 n PHE 193 Cb 0.30 -0.19 0.30 0.00 0.35 0.00 0.00 39.48 40.24 1h28 n PHE 193 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h28 n ALA 194 N -1.56 0.52 0.09 3.13 0.00 -0.85 0.18 120.51 122.02 1h28 n ALA 194 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 53.44 54.50 1h28 n ALA 194 Cb 0.00 -0.74 0.56 0.00 0.00 0.00 0.00 19.45 19.27 1h28 n ALA 194 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1h28 h GLU 195 N 0.00 0.23 -0.33 0.00 4.81 0.12 -0.30 114.58 119.10 1h28 h GLU 195 Ca 0.58 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.66 1h28 h GLU 195 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1h28 h GLU 195 CO -0.84 0.15 -0.34 0.52 -0.73 0.00 0.00 179.01 177.78 1h28 h MET 196 N 0.23 0.73 -0.22 1.92 2.86 0.40 -1.18 114.93 119.67 1h28 h MET 196 Ca 0.13 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 1h28 h MET 196 Cb 0.21 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1h28 h MET 196 CO -0.02 0.96 -0.17 0.28 1.06 0.00 0.00 176.91 179.02 1h28 h VAL 197 N 0.62 1.32 0.00 -2.22 2.07 -0.73 -3.33 116.25 113.97 1h28 h VAL 197 Ca 0.06 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1h28 h VAL 197 Cb 0.87 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1h28 h VAL 197 CO 0.08 0.40 -1.02 0.35 0.02 0.00 0.00 177.57 177.40 1h28 n THR 198 N -4.45 0.01 -1.70 2.57 -2.24 -0.48 -4.90 114.28 103.08 1h28 n THR 198 Ca -0.05 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1h28 n THR 198 Cb 0.38 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1h28 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h28 n ARG 199 N -1.56 -1.30 -3.71 -0.78 3.00 -0.45 -4.97 116.66 106.89 1h28 n ARG 199 Ca 0.04 1.08 -0.12 0.00 -0.01 0.00 0.00 57.85 58.83 1h28 n ARG 199 Cb 0.35 -5.40 -0.10 0.00 0.00 0.00 0.00 32.46 27.31 1h28 n ARG 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1h28 s ARG 200 N -3.82 0.49 0.04 5.56 1.81 -1.24 -4.90 118.95 116.89 1h28 s ARG 200 Ca 0.00 0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 54.44 1h28 s ARG 200 Cb 0.00 0.17 -0.13 0.00 -0.45 0.00 0.00 34.95 34.53 1h28 s ARG 200 CO 0.00 -0.09 0.64 0.00 -0.68 0.00 0.00 175.30 175.16 1h28 n ALA 201 N 3.31 -2.59 -0.14 2.13 0.00 -1.26 -4.54 120.51 117.42 1h28 n ALA 201 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1h28 n ALA 201 Cb 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1h28 n ALA 201 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1h28 n LEU 202 N 1.14 0.16 -3.98 0.00 7.94 -1.26 -4.47 117.00 116.53 1h28 n LEU 202 Ca 0.14 0.74 -0.36 0.00 -1.11 0.00 0.00 56.01 55.41 1h28 n LEU 202 Cb 0.09 -0.43 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1h28 n LEU 202 CO 0.42 -0.43 0.49 0.49 -1.11 0.00 0.00 177.39 177.25 1h28 n PHE 203 N -1.79 3.82 -2.34 1.96 3.72 -1.26 -5.04 117.46 116.52 1h28 n PHE 203 Ca 0.00 -3.82 -0.36 0.00 -0.05 0.00 0.00 57.45 53.22 1h28 n PHE 203 Cb 0.00 -1.10 -0.04 0.00 -0.94 0.00 0.00 39.48 37.40 1h28 n PHE 203 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h28 s PRO 204 N -1.86 3.12 0.33 -1.08 0.04 -1.26 -4.63 135.00 129.66 1h28 s PRO 204 Ca 0.31 -0.61 0.07 0.00 0.04 0.00 0.00 61.00 60.80 1h28 s PRO 204 Cb -0.01 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.46 1h28 s PRO 204 CO -0.06 -2.65 0.46 0.20 0.04 0.00 0.00 177.00 175.00 1h28 s GLY 205 N 6.15 1.59 0.00 0.56 0.00 -1.26 -4.96 107.32 109.39 1h28 s GLY 205 Ca 0.55 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1h28 s GLY 205 CO -0.02 -1.37 0.32 2.09 0.00 0.00 0.00 173.10 174.12 1h28 n ASP 206 N -1.63 0.64 -3.88 1.64 5.68 -1.26 -4.73 116.55 113.01 1h28 n ASP 206 Ca -0.00 -0.95 -0.08 0.00 -0.50 0.00 0.00 54.79 53.26 1h28 n ASP 206 Cb 0.58 0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.58 1h28 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h28 s SER 207 N -0.05 -0.23 0.33 -1.12 1.04 -1.26 -5.05 113.70 107.36 1h28 s SER 207 Ca 0.00 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1h28 s SER 207 Cb 0.00 0.69 0.92 0.00 0.10 0.00 0.00 66.02 67.74 1h28 s SER 207 CO 0.00 -1.29 1.58 -0.33 0.98 0.00 0.00 173.24 174.18 1h28 h GLU 208 N 2.06 0.02 0.36 4.02 5.08 -1.99 -1.66 114.58 122.46 1h28 h GLU 208 Ca -0.21 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1h28 h GLU 208 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1h28 h GLU 208 CO 0.26 0.01 -0.17 0.82 -1.00 0.00 0.00 179.01 178.94 1h28 h ILE 209 N 0.02 0.11 -0.88 3.13 1.08 -1.99 -2.72 117.51 116.26 1h28 h ILE 209 Ca 0.67 -0.69 0.22 0.00 -0.39 0.00 0.00 64.86 64.67 1h28 h ILE 209 Cb 1.52 0.19 -0.16 0.00 -3.07 0.00 0.00 36.82 35.30 1h28 h ILE 209 CO -0.87 0.03 -0.01 -0.78 -0.69 0.00 0.00 178.15 175.83 1h28 h ASP 210 N -1.10 -0.45 0.38 1.72 3.58 -1.90 0.57 116.42 119.21 1h28 h ASP 210 Ca -0.05 0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1h28 h ASP 210 Cb 0.41 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1h28 h ASP 210 CO 0.08 -0.26 -0.23 -0.61 -2.88 0.00 0.00 179.24 175.34 1h28 h GLN 211 N 0.06 0.00 -0.04 0.28 5.75 -1.31 0.16 115.11 120.01 1h28 h GLN 211 Ca 0.50 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.78 1h28 h GLN 211 Cb 0.93 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.50 1h28 h GLN 211 CO -0.81 0.23 -0.83 -0.07 -2.65 0.00 0.00 178.83 174.70 1h28 h LEU 212 N 0.00 0.80 -0.19 -2.39 3.38 -0.77 -3.13 115.31 113.01 1h28 h LEU 212 Ca -0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 1h28 h LEU 212 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1h28 h LEU 212 CO 0.03 1.40 0.00 -0.26 0.09 0.00 0.00 178.44 179.70 1h28 h PHE 213 N 0.27 0.36 -0.77 1.13 -1.00 0.35 0.15 116.94 117.43 1h28 h PHE 213 Ca -0.09 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.63 1h28 h PHE 213 Cb 1.50 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.92 1h28 h PHE 213 CO 0.11 0.53 0.49 0.00 -1.61 0.00 0.00 178.31 177.83 1h28 h ARG 214 N 0.08 1.02 -0.11 1.51 3.08 -0.88 0.20 114.38 119.29 1h28 h ARG 214 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1h28 h ARG 214 Cb 0.38 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1h28 h ARG 214 CO 0.01 0.69 0.03 0.82 -1.07 0.00 0.00 179.97 180.45 1h28 h ILE 215 N 1.05 1.18 -0.81 2.04 2.04 -1.38 -2.99 117.51 118.64 1h28 h ILE 215 Ca 0.28 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1h28 h ILE 215 Cb -0.09 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1h28 h ILE 215 CO -0.06 0.16 0.49 -0.26 0.00 0.00 0.00 178.15 178.49 1h28 h PHE 216 N -0.02 0.91 0.00 1.37 -1.00 0.11 -1.42 116.94 116.90 1h28 h PHE 216 Ca 0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1h28 h PHE 216 Cb 0.23 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1h28 h PHE 216 CO 0.00 0.46 0.00 0.54 -1.61 0.00 0.00 178.31 177.71 1h28 n ARG 217 N -4.66 0.69 -0.00 1.51 1.74 0.51 -0.24 116.66 116.21 1h28 n ARG 217 Ca 0.11 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 1h28 n ARG 217 Cb 0.17 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1h28 n ARG 217 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h28 n THR 218 N -1.01 0.93 1.21 0.55 -1.04 -0.65 -4.58 114.28 109.68 1h28 n THR 218 Ca 0.17 0.17 0.13 0.00 -2.04 0.00 0.00 64.05 62.48 1h28 n THR 218 Cb 0.08 -1.70 0.29 0.00 -1.82 0.00 0.00 70.33 67.18 1h28 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h28 n LEU 219 N -3.55 2.35 0.00 -4.42 4.77 -0.63 -2.58 117.00 112.94 1h28 n LEU 219 Ca -0.07 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1h28 n LEU 219 Cb 0.31 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1h28 n LEU 219 CO 0.03 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1h28 n GLY 220 N 1.27 0.10 3.49 -0.72 0.00 0.67 -4.61 105.19 105.40 1h28 n GLY 220 Ca 0.16 -1.28 -0.57 0.00 0.00 0.00 0.00 46.02 44.33 1h28 n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h28 n THR 221 N 1.70 0.23 -2.92 2.61 -1.04 -0.95 -4.76 114.28 109.15 1h28 n THR 221 Ca 0.00 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.68 1h28 n THR 221 Cb 0.00 -0.05 -0.01 0.00 -1.82 0.00 0.00 70.33 68.45 1h28 n THR 221 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1h28 s PRO 222 N -0.09 3.57 0.00 -2.82 0.04 -1.26 -4.93 135.00 129.51 1h28 s PRO 222 Ca 0.88 0.09 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1h28 s PRO 222 Cb -1.21 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1h28 s PRO 222 CO 0.56 -0.05 0.00 -0.40 0.04 0.00 0.00 177.00 177.15 1h28 n ASP 223 N -1.87 0.32 0.00 6.66 5.68 -1.26 -5.02 116.55 121.06 1h28 n ASP 223 Ca -0.01 -0.70 0.14 0.00 -0.50 0.00 0.00 54.79 53.72 1h28 n ASP 223 Cb 0.55 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.34 1h28 n ASP 223 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1h28 n GLU 224 N 0.00 0.99 -0.12 0.11 -0.58 -1.26 -2.64 120.64 117.14 1h28 n GLU 224 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1h28 n GLU 224 Cb 0.00 -1.43 -0.13 0.00 -0.57 0.00 0.00 31.44 29.31 1h28 n GLU 224 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1h28 n VAL 225 N -0.93 1.48 1.18 2.62 0.31 -1.26 -3.79 118.33 117.94 1h28 n VAL 225 Ca 0.20 -0.64 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1h28 n VAL 225 Cb 0.09 -1.22 0.32 0.00 -0.91 0.00 0.00 33.84 32.12 1h28 n VAL 225 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1h28 n VAL 226 N -3.16 0.00 -2.72 2.52 3.14 -1.21 -4.58 118.33 112.32 1h28 n VAL 226 Ca -0.43 -0.10 -0.07 0.00 -2.96 0.00 0.00 64.34 60.78 1h28 n VAL 226 Cb 1.03 0.42 0.06 0.00 -1.06 0.00 0.00 33.84 34.29 1h28 n VAL 226 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1h28 n TRP 227 N -0.82 -2.26 -1.61 1.45 -0.00 -1.08 -4.12 117.44 109.00 1h28 n TRP 227 Ca 0.10 -1.38 -0.57 0.00 -0.00 0.00 0.00 57.50 55.65 1h28 n TRP 227 Cb 0.35 1.40 -0.07 0.00 -0.00 0.00 0.00 31.31 32.98 1h28 n TRP 227 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1h28 n PRO 228 N 1.48 0.65 0.00 5.87 -0.02 -1.25 -1.96 135.00 139.77 1h28 n PRO 228 Ca 0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1h28 n PRO 228 Cb 0.67 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1h28 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h28 n GLY 229 N 2.72 1.73 0.44 -1.23 0.00 -1.26 -5.03 105.19 102.55 1h28 n GLY 229 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1h28 n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h28 h VAL 230 N 0.00 0.00 0.00 1.61 2.07 -1.68 -1.18 116.25 117.07 1h28 h VAL 230 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1h28 h VAL 230 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1h28 h VAL 230 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1h28 n THR 231 N -5.32 0.00 -0.39 2.57 -2.24 -1.26 -1.33 114.28 106.31 1h28 n THR 231 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1h28 n THR 231 Cb 0.30 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1h28 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h28 n SER 232 N -0.31 0.48 -4.78 3.42 7.64 -0.46 -5.00 113.62 114.62 1h28 n SER 232 Ca 0.00 -0.91 -0.37 0.00 1.01 0.00 0.00 58.87 58.60 1h28 n SER 232 Cb 0.03 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1h28 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h28 s MET 233 N -0.07 4.41 0.15 1.43 -1.94 -0.44 -4.96 119.30 117.88 1h28 s MET 233 Ca 0.00 1.49 -0.27 0.00 -1.71 0.00 0.00 55.69 55.20 1h28 s MET 233 Cb 0.00 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 1h28 s MET 233 CO 0.00 0.09 1.58 -1.35 -0.01 0.00 0.00 175.02 175.33 1h28 h PRO 234 N 3.00 -0.34 -0.79 2.03 0.11 -1.77 -2.62 132.00 131.62 1h28 h PRO 234 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h28 h PRO 234 Cb 1.21 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h28 h PRO 234 CO 0.64 -0.23 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 1h28 n ASP 235 N -5.42 2.92 -4.72 -2.05 8.00 -1.16 -4.89 116.55 109.22 1h28 n ASP 235 Ca -0.01 -2.37 -0.42 0.00 0.71 0.00 0.00 54.79 52.70 1h28 n ASP 235 Cb 0.35 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1h28 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h28 s TYR 236 N -1.74 3.54 -0.10 1.24 5.04 -0.99 -4.88 117.35 119.46 1h28 s TYR 236 Ca 0.23 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1h28 s TYR 236 Cb 0.17 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 1h28 s TYR 236 CO 0.07 -0.79 -0.12 0.15 -1.34 0.00 0.00 175.55 173.52 1h28 s LYS 237 N 0.51 3.04 0.53 4.97 -0.14 -1.26 -4.98 119.74 122.42 1h28 s LYS 237 Ca 0.54 -0.67 0.19 0.00 -1.36 0.00 0.00 55.97 54.67 1h28 s LYS 237 Cb -0.28 -2.56 1.37 0.00 -1.68 0.00 0.00 37.83 34.69 1h28 s LYS 237 CO 0.31 0.40 2.17 -1.35 -0.76 0.00 0.00 175.35 176.11 1h28 h PRO 238 N 6.10 0.00 0.00 -1.68 0.11 -1.96 -2.80 132.00 131.77 1h28 h PRO 238 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 1h28 h PRO 238 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1h28 h PRO 238 CO 0.54 0.01 -0.23 0.66 -0.21 0.00 0.00 178.00 178.77 1h28 h SER 239 N 0.00 0.00 -1.45 -2.05 4.64 -2.03 -3.45 113.55 109.21 1h28 h SER 239 Ca -0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1h28 h SER 239 Cb 0.01 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.24 1h28 h SER 239 CO 0.00 0.23 -0.95 0.49 -0.87 0.00 0.00 176.83 175.74 1h28 n PHE 240 N -3.62 -2.46 -2.84 4.77 0.99 -1.06 -4.85 117.46 108.39 1h28 n PHE 240 Ca -0.01 0.26 -0.33 0.00 -0.00 0.00 0.00 57.45 57.36 1h28 n PHE 240 Cb 0.36 -1.18 -0.07 0.00 -1.00 0.00 0.00 39.48 37.59 1h28 n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1h28 s PRO 241 N -0.88 4.24 -1.13 -1.08 0.02 -1.26 -5.03 135.00 129.89 1h28 s PRO 241 Ca 0.39 1.10 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 1h28 s PRO 241 Cb -0.31 -2.26 0.27 0.00 0.02 0.00 0.00 34.50 32.22 1h28 s PRO 241 CO 0.50 0.01 1.49 1.63 -0.33 0.00 0.00 177.00 180.30 1h28 n LYS 242 N -0.51 4.11 -0.34 5.54 5.02 -1.26 -4.71 118.16 126.01 1h28 n LYS 242 Ca 0.06 -4.32 -0.29 0.00 -2.02 0.00 0.00 58.31 51.74 1h28 n LYS 242 Cb 0.54 -2.62 0.28 0.00 -0.02 0.00 0.00 35.03 33.21 1h28 n LYS 242 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1h28 n TRP 243 N 2.24 -2.73 -4.44 2.13 8.01 -1.26 -4.90 117.44 116.49 1h28 n TRP 243 Ca 0.29 -0.52 -0.22 0.00 -1.31 0.00 0.00 57.50 55.73 1h28 n TRP 243 Cb 0.35 -1.49 -0.09 0.00 -2.01 0.00 0.00 31.31 28.07 1h28 n TRP 243 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1h28 s ALA 244 N -2.23 2.46 0.15 6.99 0.00 -1.26 -3.29 121.76 124.59 1h28 s ALA 244 Ca 0.67 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1h28 s ALA 244 Cb -0.18 0.82 -0.07 0.00 0.00 0.00 0.00 23.12 23.69 1h28 s ALA 244 CO 0.60 -0.37 1.15 0.50 0.00 0.00 0.00 175.76 177.64 1h28 s ARG 245 N -3.82 4.53 0.45 0.00 3.52 -1.26 -4.20 118.95 118.16 1h28 s ARG 245 Ca 0.31 1.77 -0.21 0.00 -0.13 0.00 0.00 55.73 57.48 1h28 s ARG 245 Cb 0.05 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 30.06 1h28 s ARG 245 CO 0.15 -0.04 0.99 -0.65 -0.81 0.00 0.00 175.30 174.93 1h28 s GLN 246 N -0.03 4.08 0.29 5.12 -1.52 -1.06 -4.95 119.66 121.58 1h28 s GLN 246 Ca 0.52 1.23 -0.29 0.00 -1.95 0.00 0.00 55.36 54.87 1h28 s GLN 246 Cb -0.30 -2.17 -0.10 0.00 -0.22 0.00 0.00 33.01 30.22 1h28 s GLN 246 CO 0.34 -0.17 1.25 0.34 -0.25 0.00 0.00 175.29 176.80 1h28 s ASP 247 N -2.08 6.93 0.42 5.90 2.15 -1.26 -4.90 116.67 123.84 1h28 s ASP 247 Ca 0.64 2.52 0.08 0.00 0.43 0.00 0.00 52.55 56.22 1h28 s ASP 247 Cb -0.12 -2.64 0.91 0.00 -0.30 0.00 0.00 42.92 40.77 1h28 s ASP 247 CO 0.16 -0.43 2.07 -0.26 -0.17 0.00 0.00 175.17 176.54 1h28 h PHE 248 N 3.89 0.46 0.00 -5.34 -1.00 -1.96 0.27 116.94 113.25 1h28 h PHE 248 Ca -0.47 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1h28 h PHE 248 Cb 1.22 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1h28 h PHE 248 CO 0.58 0.29 0.30 0.66 -1.61 0.00 0.00 178.31 178.52 1h28 h SER 249 N 0.49 0.00 0.00 2.17 4.64 -1.91 0.44 113.55 119.38 1h28 h SER 249 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1h28 h SER 249 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1h28 h SER 249 CO -0.03 0.00 -0.16 0.11 -0.87 0.00 0.00 176.83 175.88 1h28 h LYS 250 N 0.00 0.00 -0.54 4.77 1.57 -0.84 -3.37 116.57 118.16 1h28 h LYS 250 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1h28 h LYS 250 Cb 0.59 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 1h28 h LYS 250 CO 0.00 0.02 -0.19 0.28 -0.57 0.00 0.00 179.45 178.99 1h28 h VAL 251 N -1.00 0.37 -2.45 0.50 2.07 -0.32 -3.32 116.25 112.10 1h28 h VAL 251 Ca -0.00 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.92 1h28 h VAL 251 Cb 0.18 0.37 -0.39 0.00 -1.52 0.00 0.00 31.29 29.92 1h28 h VAL 251 CO -0.00 0.00 -0.90 0.52 0.02 0.00 0.00 177.57 177.21 1h28 n VAL 252 N -5.41 -0.44 -0.11 2.57 0.31 0.11 -5.03 118.33 110.33 1h28 n VAL 252 Ca 0.05 -3.86 -0.09 0.00 -0.01 0.00 0.00 64.34 60.43 1h28 n VAL 252 Cb 0.31 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 1h28 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h28 h PRO 253 N 5.31 0.52 0.00 5.55 0.11 -1.72 -2.94 132.00 138.83 1h28 h PRO 253 Ca 0.22 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1h28 h PRO 253 Cb 0.86 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1h28 h PRO 253 CO 0.47 0.49 -0.01 -1.35 -0.21 0.00 0.00 178.00 177.39 1h28 h PRO 254 N 0.42 0.00 -6.31 1.05 0.11 -1.92 -3.45 132.00 121.90 1h28 h PRO 254 Ca 0.12 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.68 1h28 h PRO 254 Cb 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1h28 h PRO 254 CO -0.01 0.01 0.83 -1.17 -0.21 0.00 0.00 178.00 177.44 1h28 s LEU 255 N -6.30 4.29 0.00 2.35 2.96 -1.11 -5.00 118.68 115.86 1h28 s LEU 255 Ca -0.03 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 1h28 s LEU 255 Cb 0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1h28 s LEU 255 CO 0.46 -0.71 0.00 -0.90 -1.32 0.00 0.00 176.35 173.88 1h28 n ASP 256 N 5.65 0.00 0.05 3.68 5.68 -1.26 -4.69 116.55 125.66 1h28 n ASP 256 Ca 0.13 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.37 1h28 n ASP 256 Cb 0.44 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.56 1h28 n ASP 256 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1h28 h GLU 257 N 0.00 0.37 0.04 0.11 4.81 -2.00 -3.11 114.58 114.78 1h28 h GLU 257 Ca 0.00 -0.21 -0.34 0.00 -0.13 0.00 0.00 59.36 58.68 1h28 h GLU 257 Cb 0.00 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1h28 h GLU 257 CO 0.00 0.78 -1.98 -0.25 -0.73 0.00 0.00 179.01 176.83 1h28 n ASP 258 N -3.97 1.21 0.34 1.04 8.00 -1.26 -2.92 116.55 119.00 1h28 n ASP 258 Ca -0.02 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.54 1h28 n ASP 258 Cb 0.55 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.41 1h28 n ASP 258 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1h28 h GLY 259 N 2.73 -0.95 -0.90 0.44 0.00 -1.92 -2.32 103.07 100.14 1h28 h GLY 259 Ca -0.40 0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.46 1h28 h GLY 259 CO 0.06 -0.34 -0.35 0.54 0.00 0.00 0.00 176.54 176.44 1h28 n ARG 260 N -5.49 -0.21 0.13 4.80 1.74 -1.18 0.08 116.66 116.53 1h28 n ARG 260 Ca -0.13 1.39 -0.11 0.00 -0.77 0.00 0.00 57.85 58.23 1h28 n ARG 260 Cb 0.38 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.70 1h28 n ARG 260 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1h28 h SER 261 N 0.00 -0.92 0.20 0.55 0.87 -1.36 -1.47 113.55 111.42 1h28 h SER 261 Ca 0.31 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1h28 h SER 261 Cb 0.54 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 1h28 h SER 261 CO -0.90 -0.38 -0.42 0.25 -0.53 0.00 0.00 176.83 174.85 1h28 h LEU 262 N -0.55 -1.20 -0.66 2.23 5.85 -0.80 -1.06 115.31 119.11 1h28 h LEU 262 Ca -0.02 0.12 0.21 0.00 0.84 0.00 0.00 57.88 59.03 1h28 h LEU 262 Cb 0.51 0.44 -0.12 0.00 0.37 0.00 0.00 40.66 41.86 1h28 h LEU 262 CO -0.10 -0.51 0.12 -0.11 -0.34 0.00 0.00 178.44 177.50 1h28 n LEU 263 N -5.47 0.02 0.05 2.25 7.94 0.11 0.77 117.00 122.67 1h28 n LEU 263 Ca -0.08 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.80 1h28 n LEU 263 Cb 0.38 -0.45 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 1h28 n LEU 263 CO 0.22 -1.17 -0.26 0.77 -1.11 0.00 0.00 177.39 175.83 1h28 h SER 264 N 0.00 0.25 0.26 1.96 4.64 -0.53 0.17 113.55 120.30 1h28 h SER 264 Ca 0.45 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1h28 h SER 264 Cb 1.04 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1h28 h SER 264 CO -0.59 1.29 -0.30 1.56 -0.87 0.00 0.00 176.83 177.92 1h28 h GLN 265 N 0.04 0.07 0.08 4.77 4.20 0.38 -2.59 115.11 122.06 1h28 h GLN 265 Ca -0.20 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1h28 h GLN 265 Cb 1.96 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.74 1h28 h GLN 265 CO 0.14 0.37 -0.04 0.52 -0.67 0.00 0.00 178.83 179.15 1h28 h MET 266 N 0.06 -0.10 -2.04 1.46 2.86 0.40 0.19 114.93 117.75 1h28 h MET 266 Ca 0.01 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1h28 h MET 266 Cb 0.57 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 1h28 h MET 266 CO 0.04 0.44 -0.21 1.28 1.06 0.00 0.00 176.91 179.51 1h28 n LEU 267 N -4.85 4.96 -4.84 1.22 4.77 0.58 -4.57 117.00 114.27 1h28 n LEU 267 Ca -0.08 -2.74 -0.32 0.00 -0.03 0.00 0.00 56.01 52.83 1h28 n LEU 267 Cb 0.29 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1h28 n LEU 267 CO 0.29 1.34 0.66 -2.28 -1.33 0.00 0.00 177.39 176.07 1h28 s HIS 268 N 0.75 3.42 -0.05 -1.77 2.46 -1.00 -4.87 115.29 114.23 1h28 s HIS 268 Ca 0.40 1.47 -0.01 0.00 0.47 0.00 0.00 55.06 57.39 1h28 s HIS 268 Cb 0.19 -2.78 -0.00 0.00 -0.13 0.00 0.00 32.58 29.86 1h28 s HIS 268 CO 0.00 -0.29 -0.01 1.88 -2.47 0.00 0.00 174.74 173.85 1h28 h TYR 269 N 1.18 0.00 -1.47 3.88 0.05 -1.90 -3.43 116.97 115.28 1h28 h TYR 269 Ca -0.47 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 57.66 1h28 h TYR 269 Cb 1.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1h28 h TYR 269 CO 0.63 0.00 1.37 -3.47 -1.05 0.00 0.00 178.16 175.65 1h28 n ASP 270 N -3.40 2.63 -0.36 3.88 -0.08 -1.26 -4.82 116.55 113.15 1h28 n ASP 270 Ca -0.00 0.46 0.03 0.00 -1.51 0.00 0.00 54.79 53.77 1h28 n ASP 270 Cb 0.02 -1.35 0.18 0.00 2.34 0.00 0.00 41.12 42.31 1h28 n ASP 270 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1h28 h PRO 271 N 12.43 1.07 -0.34 -0.67 0.11 -1.93 0.13 132.00 142.80 1h28 h PRO 271 Ca -0.35 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.78 1h28 h PRO 271 Cb 1.29 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1h28 h PRO 271 CO 0.99 0.71 0.24 -0.91 -0.21 0.00 0.00 178.00 178.81 1h28 h ASN 272 N 1.10 0.10 0.17 -2.05 2.35 -1.99 -2.89 115.58 112.38 1h28 h ASN 272 Ca 0.43 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.84 1h28 h ASN 272 Cb 0.23 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 1h28 h ASN 272 CO -0.19 0.07 -2.14 0.29 -1.65 0.00 0.00 177.43 173.80 1h28 n LYS 273 N -4.46 0.67 -1.66 0.81 4.76 -0.85 -4.96 118.16 112.47 1h28 n LYS 273 Ca 0.05 0.13 -0.46 0.00 -2.87 0.00 0.00 58.31 55.15 1h28 n LYS 273 Cb 0.33 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1h28 n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1h28 n ARG 274 N -2.94 1.98 -0.68 1.97 0.63 0.40 -4.88 116.66 113.14 1h28 n ARG 274 Ca -0.29 0.71 -0.32 0.00 -0.92 0.00 0.00 57.85 57.04 1h28 n ARG 274 Cb 1.10 -2.43 0.17 0.00 0.45 0.00 0.00 32.46 31.75 1h28 n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1h28 n ILE 275 N 2.86 0.00 -4.52 5.15 3.06 0.65 -4.96 119.36 121.60 1h28 n ILE 275 Ca 0.16 -0.27 -0.24 0.00 -2.50 0.00 0.00 62.75 59.90 1h28 n ILE 275 Cb 0.28 -0.70 -0.05 0.00 0.54 0.00 0.00 39.64 39.71 1h28 n ILE 275 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1h28 n SER 276 N -2.32 3.01 0.00 9.51 3.41 -1.26 -4.88 113.62 121.09 1h28 n SER 276 Ca 0.04 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1h28 n SER 276 Cb 0.58 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1h28 n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h28 n ALA 277 N -1.81 0.00 0.00 7.33 0.00 -1.26 -1.01 120.51 123.75 1h28 n ALA 277 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1h28 n ALA 277 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1h28 n ALA 277 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1h28 n LYS 278 N 0.00 0.00 0.04 0.00 2.85 -1.26 -0.89 118.16 118.90 1h28 n LYS 278 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 1h28 n LYS 278 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1h28 n LYS 278 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h28 h ALA 279 N 0.00 -0.90 -0.74 0.58 0.00 -2.00 -3.08 119.26 113.12 1h28 h ALA 279 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1h28 h ALA 279 Cb 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1h28 h ALA 279 CO 0.00 -1.05 0.16 0.00 0.00 0.00 0.00 179.25 178.36 1h28 h ALA 280 N -0.50 0.94 -0.65 0.00 0.00 0.75 -2.82 119.26 116.97 1h28 h ALA 280 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1h28 h ALA 280 Cb 0.65 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1h28 h ALA 280 CO -0.34 -0.35 0.32 -0.07 0.00 0.00 0.00 179.25 178.81 1h28 h LEU 281 N 0.25 0.44 0.00 0.00 3.38 -1.72 0.40 115.31 118.05 1h28 h LEU 281 Ca 0.42 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1h28 h LEU 281 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1h28 h LEU 281 CO -0.53 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.27 1h28 n ALA 282 N -2.39 2.27 -1.77 1.53 0.00 -1.07 -4.69 120.51 114.39 1h28 n ALA 282 Ca 0.09 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1h28 n ALA 282 Cb 0.22 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1h28 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h28 s HIS 283 N -2.00 2.72 0.59 0.00 5.04 0.14 -4.94 115.29 116.83 1h28 s HIS 283 Ca 0.25 1.52 0.29 0.00 -1.54 0.00 0.00 55.06 55.58 1h28 s HIS 283 Cb 0.12 -3.40 1.52 0.00 0.04 0.00 0.00 32.58 30.85 1h28 s HIS 283 CO 0.19 -1.71 1.95 -1.35 -2.34 0.00 0.00 174.74 171.48 1h28 h PRO 284 N 1.63 0.00 -0.71 2.88 0.11 -1.89 -1.74 132.00 132.28 1h28 h PRO 284 Ca -0.50 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.75 1h28 h PRO 284 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 1h28 h PRO 284 CO 0.58 0.00 -0.18 0.35 -0.21 0.00 0.00 178.00 178.55 1h28 h PHE 285 N 0.00 -0.38 -0.31 0.65 3.57 -1.92 -2.53 116.94 116.02 1h28 h PHE 285 Ca 0.19 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1h28 h PHE 285 Cb 1.01 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1h28 h PHE 285 CO 0.00 -0.31 0.00 1.19 -2.23 0.00 0.00 178.31 176.96 1h28 n PHE 286 N -5.47 0.55 -0.09 0.41 3.72 -0.65 -4.11 117.46 111.82 1h28 n PHE 286 Ca 0.09 -0.24 0.02 0.00 -0.05 0.00 0.00 57.45 57.27 1h28 n PHE 286 Cb 0.36 -0.07 0.33 0.00 -0.94 0.00 0.00 39.48 39.16 1h28 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1h28 h GLN 287 N 1.86 0.72 -0.61 -1.08 3.07 -1.57 -3.13 115.11 114.36 1h28 h GLN 287 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 1h28 h GLN 287 Cb 0.61 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 1h28 h GLN 287 CO 0.05 0.52 0.03 -0.40 0.09 0.00 0.00 178.83 179.12 1h28 n ASP 288 N -4.41 5.53 -4.75 0.06 5.68 -1.26 -5.04 116.55 112.35 1h28 n ASP 288 Ca 0.05 -2.93 -0.34 0.00 -0.50 0.00 0.00 54.79 51.06 1h28 n ASP 288 Cb 0.09 -0.69 0.06 0.00 -1.14 0.00 0.00 41.12 39.43 1h28 n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1h28 s VAL 289 N -2.73 2.81 0.00 2.12 0.11 -1.19 -5.05 120.40 116.47 1h28 s VAL 289 Ca 0.53 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1h28 s VAL 289 Cb 0.41 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1h28 s VAL 289 CO 0.15 -0.19 0.00 0.35 -3.33 0.00 0.00 175.10 172.08 1h28 n THR 290 N -2.27 0.00 -3.21 5.04 -2.24 -1.26 -5.13 114.28 105.21 1h28 n THR 290 Ca 0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.66 1h28 n THR 290 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1h28 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h28 n LYS 291 N 0.00 0.94 -1.28 -0.78 4.81 -1.26 -4.77 118.16 115.83 1h28 n LYS 291 Ca 0.00 -3.40 -0.31 0.00 -0.87 0.00 0.00 58.31 53.73 1h28 n LYS 291 Cb 0.00 -1.36 0.09 0.00 0.02 0.00 0.00 35.03 33.78 1h28 n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1h28 s PRO 292 N -1.41 2.23 -0.17 1.64 0.02 -1.26 -4.99 135.00 131.06 1h28 s PRO 292 Ca 0.36 1.22 -0.08 0.00 0.02 0.00 0.00 61.00 62.52 1h28 s PRO 292 Cb 0.18 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.77 1h28 s PRO 292 CO -0.10 -1.67 0.09 0.08 -0.33 0.00 0.00 177.00 175.08 1h28 s VAL 293 N -2.82 5.07 0.23 3.83 1.01 -1.26 -4.72 120.40 121.74 1h28 s VAL 293 Ca 0.62 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1h28 s VAL 293 Cb -0.18 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1h28 s VAL 293 CO 0.55 0.50 1.46 -2.16 0.00 0.00 0.00 175.10 175.44 1h28 s PRO 294 N 0.01 4.26 -0.64 2.72 0.04 -1.26 -4.96 135.00 135.17 1h28 s PRO 294 Ca 0.08 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 1h28 s PRO 294 Cb -0.12 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1h28 s PRO 294 CO 0.00 -0.45 1.78 -1.58 0.04 0.00 0.00 177.00 176.79 1h28 s HIS 295 N 0.20 1.75 -2.59 0.56 2.46 -1.26 -4.99 115.29 111.42 1h28 s HIS 295 Ca 0.61 0.66 0.27 0.00 0.47 0.00 0.00 55.06 57.07 1h28 s HIS 295 Cb -0.42 -4.17 0.90 0.00 -0.13 0.00 0.00 32.58 28.76 1h28 s HIS 295 CO 0.41 -2.26 1.66 1.28 -2.47 0.00 0.00 174.74 173.36