#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxr s LYS 3 N 0.00 3.42 0.49 9.51 1.02 -1.26 -5.02 119.74 127.90 1bxr s LYS 3 Ca 0.00 -2.29 -0.23 0.00 0.02 0.00 0.00 55.97 53.47 1bxr s LYS 3 Cb 0.00 -4.37 -0.07 0.00 -0.52 0.00 0.00 37.83 32.87 1bxr s LYS 3 CO 0.00 -1.29 1.26 -1.12 -0.92 0.00 0.00 175.35 173.28 1bxr s SER 4 N 2.43 5.82 0.01 2.83 0.01 -1.26 -0.86 113.70 122.69 1bxr s SER 4 Ca 0.14 2.53 -0.16 0.00 1.31 0.00 0.00 55.95 59.78 1bxr s SER 4 Cb -0.15 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.49 1bxr s SER 4 CO -0.06 -1.17 0.35 0.00 0.41 0.00 0.00 173.24 172.76 1bxr s ALA 5 N -1.41 -0.84 -0.15 1.44 0.00 -1.03 -1.55 121.76 118.20 1bxr s ALA 5 Ca 0.66 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 1bxr s ALA 5 Cb -0.35 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1bxr s ALA 5 CO 0.42 -0.35 0.52 -0.48 0.00 0.00 0.00 175.76 175.87 1bxr s LEU 6 N -1.68 0.00 -0.17 0.00 2.34 -0.65 -1.83 118.68 116.69 1bxr s LEU 6 Ca -0.09 0.89 0.00 0.00 0.06 0.00 0.00 54.13 54.99 1bxr s LEU 6 Cb -0.03 1.84 0.00 0.00 -0.56 0.00 0.00 46.19 47.45 1bxr s LEU 6 CO 0.01 -0.28 -0.16 -0.22 -1.06 0.00 0.00 176.35 174.65 1bxr s LEU 7 N -0.13 2.40 -0.16 1.48 2.96 -0.39 -0.68 118.68 124.16 1bxr s LEU 7 Ca -0.03 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1bxr s LEU 7 Cb -0.03 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1bxr s LEU 7 CO 0.02 0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.24 1bxr s VAL 8 N 1.03 2.48 0.50 1.68 1.01 -0.09 -0.45 120.40 126.56 1bxr s VAL 8 Ca -0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1bxr s VAL 8 Cb -0.15 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1bxr s VAL 8 CO -0.04 0.52 0.76 -0.76 0.00 0.00 0.00 175.10 175.58 1bxr s LEU 9 N 0.91 3.50 0.29 3.92 1.43 -0.28 -0.98 118.68 127.47 1bxr s LEU 9 Ca -0.04 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1bxr s LEU 9 Cb -0.15 -3.33 0.71 0.00 0.03 0.00 0.00 46.19 43.45 1bxr s LEU 9 CO -0.02 -0.82 1.75 -0.33 0.23 0.00 0.00 176.35 177.15 1bxr h GLU 10 N 0.19 0.62 0.00 1.70 5.08 -1.51 0.85 114.58 121.51 1bxr h GLU 10 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1bxr h GLU 10 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1bxr h GLU 10 CO 0.59 0.41 0.00 -0.40 -1.00 0.00 0.00 179.01 178.61 1bxr n ASP 11 N -4.86 0.07 0.00 1.42 5.68 -1.26 -4.85 116.55 112.76 1bxr n ASP 11 Ca 0.22 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 1bxr n ASP 11 Cb 0.58 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1bxr n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bxr n GLY 12 N -0.14 0.23 3.74 6.12 0.00 0.29 -5.07 105.19 110.36 1bxr n GLY 12 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1bxr n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxr s THR 13 N -2.00 2.63 -0.01 2.61 2.01 -1.25 -4.75 115.64 114.88 1bxr s THR 13 Ca 0.00 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1bxr s THR 13 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1bxr s THR 13 CO 0.00 0.08 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.71 1bxr s GLN 14 N -0.16 2.20 -0.23 4.92 -0.21 -1.26 -1.13 119.66 123.79 1bxr s GLN 14 Ca 0.61 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 55.12 1bxr s GLN 14 Cb -0.42 -2.19 0.06 0.00 1.00 0.00 0.00 33.01 31.46 1bxr s GLN 14 CO 0.42 0.57 -0.07 -0.06 -2.12 0.00 0.00 175.29 174.02 1bxr s PHE 15 N -0.76 2.56 -0.15 0.91 0.40 0.40 -4.98 117.98 116.36 1bxr s PHE 15 Ca 0.12 -1.82 -0.16 0.00 -0.60 0.00 0.00 56.93 54.47 1bxr s PHE 15 Cb -0.10 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1bxr s PHE 15 CO 0.01 -0.79 0.38 -1.01 0.70 0.00 0.00 175.22 174.52 1bxr s HIS 16 N 1.34 3.47 0.00 0.36 3.76 -1.26 -1.26 115.29 121.69 1bxr s HIS 16 Ca -0.05 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1bxr s HIS 16 Cb -0.18 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.05 1bxr s HIS 16 CO -0.06 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 1bxr n GLY 17 N 3.43 3.93 3.26 -2.22 0.00 -0.76 -4.65 105.19 108.18 1bxr n GLY 17 Ca -0.09 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1bxr n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 18 N 2.52 2.10 0.08 1.61 3.52 -0.62 -2.47 118.95 125.69 1bxr s ARG 18 Ca 0.00 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.45 1bxr s ARG 18 Cb 0.00 -1.93 -0.06 0.00 -1.56 0.00 0.00 34.95 31.40 1bxr s ARG 18 CO 0.00 0.46 1.13 0.00 -0.81 0.00 0.00 175.30 176.08 1bxr s ALA 19 N -0.40 3.34 0.00 6.12 0.00 -0.04 0.23 121.76 131.02 1bxr s ALA 19 Ca 0.05 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1bxr s ALA 19 Cb -0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1bxr s ALA 19 CO 0.01 -0.34 0.52 0.44 0.00 0.00 0.00 175.76 176.39 1bxr n ILE 20 N 3.49 0.20 -1.39 0.00 -5.35 -0.96 -4.89 119.36 110.46 1bxr n ILE 20 Ca 0.07 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1bxr n ILE 20 Cb 0.47 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1bxr n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxr n GLY 21 N -0.10 5.26 3.74 3.28 0.00 -1.24 -4.62 105.19 111.50 1bxr n GLY 21 Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1bxr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 22 N -2.00 2.11 0.12 4.61 0.00 0.38 -4.82 121.76 122.16 1bxr s ALA 22 Ca 0.00 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1bxr s ALA 22 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1bxr s ALA 22 CO 0.00 -1.88 0.58 0.99 0.00 0.00 0.00 175.76 175.45 1bxr s THR 23 N -2.49 4.76 -3.46 0.00 2.01 -1.26 -4.39 115.64 110.81 1bxr s THR 23 Ca 0.67 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1bxr s THR 23 Cb -0.22 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1bxr s THR 23 CO 0.50 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 1bxr n GLY 24 N 1.23 0.59 3.17 4.40 0.00 0.63 -4.98 105.19 110.24 1bxr n GLY 24 Ca -0.07 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 1bxr n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bxr s SER 25 N -4.00 1.83 -0.02 1.61 1.04 -1.26 0.34 113.70 113.23 1bxr s SER 25 Ca 0.00 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1bxr s SER 25 Cb 0.00 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 1bxr s SER 25 CO 0.00 0.05 -0.13 0.00 0.98 0.00 0.00 173.24 174.14 1bxr s ALA 26 N -0.87 1.14 -0.02 5.32 0.00 0.88 -4.95 121.76 123.26 1bxr s ALA 26 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1bxr s ALA 26 Cb -0.08 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1bxr s ALA 26 CO 0.01 0.24 -0.00 0.08 0.00 0.00 0.00 175.76 176.09 1bxr s VAL 27 N -0.11 0.16 -1.58 0.00 1.01 -1.26 -0.54 120.40 118.07 1bxr s VAL 27 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1bxr s VAL 27 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1bxr s VAL 27 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1bxr n GLY 28 N 3.81 -0.72 3.68 4.51 0.00 -0.78 -4.84 105.19 110.85 1bxr n GLY 28 Ca -0.23 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1bxr n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bxr s GLU 29 N -0.63 4.33 -0.17 1.61 2.12 -0.36 0.09 118.70 125.68 1bxr s GLU 29 Ca 0.00 0.95 -0.24 0.00 0.36 0.00 0.00 54.97 56.04 1bxr s GLU 29 Cb 0.00 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1bxr s GLU 29 CO 0.00 -0.22 0.79 0.08 -0.54 0.00 0.00 175.26 175.37 1bxr s VAL 30 N 1.77 4.92 0.30 3.70 1.01 0.02 0.11 120.40 132.21 1bxr s VAL 30 Ca 0.37 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1bxr s VAL 30 Cb -0.17 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1bxr s VAL 30 CO 0.14 0.06 0.01 0.68 0.00 0.00 0.00 175.10 175.99 1bxr s VAL 31 N 2.01 1.33 -0.03 2.92 -7.23 -0.41 -4.21 120.40 114.77 1bxr s VAL 31 Ca 0.37 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1bxr s VAL 31 Cb -0.17 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1bxr s VAL 31 CO 0.13 -0.15 -0.17 0.72 -0.31 0.00 0.00 175.10 175.32 1bxr s PHE 32 N -3.21 1.61 -0.13 2.82 -0.12 -1.26 -1.23 117.98 116.45 1bxr s PHE 32 Ca 0.33 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.81 1bxr s PHE 32 Cb 0.07 -1.08 0.01 0.00 -0.63 0.00 0.00 43.02 41.39 1bxr s PHE 32 CO 0.13 -0.13 -0.19 1.21 -0.05 0.00 0.00 175.22 176.20 1bxr s ASN 33 N -0.06 2.87 -0.00 1.98 3.84 0.22 -4.44 114.94 119.35 1bxr s ASN 33 Ca -0.01 -0.54 0.06 0.00 0.21 0.00 0.00 52.86 52.58 1bxr s ASN 33 Cb -0.10 -1.32 0.18 0.00 -0.55 0.00 0.00 41.25 39.46 1bxr s ASN 33 CO 0.01 0.04 1.14 0.35 -2.79 0.00 0.00 177.10 175.85 1bxr n THR 34 N 4.22 0.29 -2.07 -5.21 -2.24 -0.85 -1.47 114.28 106.95 1bxr n THR 34 Ca -0.19 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1bxr n THR 34 Cb 0.51 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1bxr n THR 34 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bxr s SER 35 N -0.97 6.72 0.40 3.42 0.01 -1.26 -4.68 113.70 117.34 1bxr s SER 35 Ca 0.14 2.24 0.21 0.00 1.31 0.00 0.00 55.95 59.85 1bxr s SER 35 Cb 0.07 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 64.03 1bxr s SER 35 CO 0.09 -0.85 1.56 0.24 0.41 0.00 0.00 173.24 174.69 1bxr h MET 36 N 8.64 0.00 -4.60 12.44 2.86 -1.98 -3.42 114.93 128.86 1bxr h MET 36 Ca -0.39 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.03 1bxr h MET 36 Cb 1.18 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.69 1bxr h MET 36 CO 0.93 0.10 -0.69 0.95 1.06 0.00 0.00 176.91 179.26 1bxr s THR 37 N -3.16 0.60 0.00 2.22 -4.23 -1.26 -4.94 115.64 104.86 1bxr s THR 37 Ca 0.06 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1bxr s THR 37 Cb 0.06 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1bxr s THR 37 CO 0.69 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1bxr n GLY 38 N -0.05 0.93 0.29 3.99 0.00 -1.26 -4.86 105.19 104.23 1bxr n GLY 38 Ca -0.11 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1bxr n GLY 38 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bxr h TYR 39 N 0.00 0.66 -0.27 1.61 -0.00 -1.92 -1.61 116.97 115.45 1bxr h TYR 39 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.75 1bxr h TYR 39 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 36.54 1bxr h TYR 39 CO 0.00 0.15 0.10 0.37 -0.00 0.00 0.00 178.16 178.78 1bxr h GLN 40 N 0.56 0.41 -0.35 0.10 4.15 -1.92 0.28 115.11 118.34 1bxr h GLN 40 Ca 0.43 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.82 1bxr h GLN 40 Cb 0.60 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1bxr h GLN 40 CO -0.36 0.45 0.24 0.93 -1.93 0.00 0.00 178.83 178.16 1bxr h GLU 41 N 0.28 0.26 -0.03 1.69 3.07 -1.38 -0.95 114.58 117.52 1bxr h GLU 41 Ca 0.09 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1bxr h GLU 41 Cb 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1bxr h GLU 41 CO -0.01 0.17 -0.14 0.82 -1.40 0.00 0.00 179.01 178.45 1bxr h ILE 42 N 0.27 1.49 -0.81 3.13 2.04 -0.85 -3.15 117.51 119.63 1bxr h ILE 42 Ca 0.15 -1.65 0.07 0.00 1.00 0.00 0.00 64.86 64.43 1bxr h ILE 42 Cb 0.26 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1bxr h ILE 42 CO -0.03 0.45 0.49 -0.07 0.00 0.00 0.00 178.15 178.99 1bxr h LEU 43 N -0.44 0.75 -1.39 1.44 3.38 -0.21 -1.11 115.31 117.73 1bxr h LEU 43 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bxr h LEU 43 Cb 0.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1bxr h LEU 43 CO 0.03 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.38 1bxr n THR 44 N -4.68 0.60 -3.36 0.22 -2.24 -0.43 -1.10 114.28 103.30 1bxr n THR 44 Ca 0.12 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 1bxr n THR 44 Cb 0.19 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 1bxr n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bxr s ASP 45 N -0.49 6.26 0.46 3.42 2.15 -0.42 -3.32 116.67 124.72 1bxr s ASP 45 Ca 0.15 0.14 0.22 0.00 0.43 0.00 0.00 52.55 53.49 1bxr s ASP 45 Cb 0.10 -2.22 1.23 0.00 -0.30 0.00 0.00 42.92 41.73 1bxr s ASP 45 CO 0.06 -0.27 1.87 -0.65 -0.17 0.00 0.00 175.17 176.02 1bxr h PRO 46 N 8.27 0.25 0.00 4.34 0.11 -1.85 -0.64 132.00 142.47 1bxr h PRO 46 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bxr h PRO 46 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bxr h PRO 46 CO 0.68 0.16 0.22 0.77 -0.21 0.00 0.00 178.00 179.62 1bxr h SER 47 N 0.25 0.00 0.06 -2.05 0.02 -1.84 0.83 113.55 110.83 1bxr h SER 47 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1bxr h SER 47 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1bxr h SER 47 CO -0.12 0.00 -0.07 -1.22 -1.14 0.00 0.00 176.83 174.28 1bxr n TYR 48 N -2.85 0.00 -1.62 3.45 4.01 -0.25 -4.25 117.16 115.65 1bxr n TYR 48 Ca -0.02 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.23 1bxr n TYR 48 Cb 0.27 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.22 1bxr n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bxr n SER 49 N -0.11 2.21 -0.01 7.72 2.88 0.29 -0.41 113.62 126.18 1bxr n SER 49 Ca 0.17 1.11 -0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1bxr n SER 49 Cb 0.34 -1.30 -0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1bxr n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bxr n ARG 50 N 2.63 -0.18 -5.22 -1.46 1.74 -1.25 -4.68 116.66 108.24 1bxr n ARG 50 Ca 0.17 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 57.02 1bxr n ARG 50 Cb 0.25 -3.25 -0.16 0.00 -1.02 0.00 0.00 32.46 28.27 1bxr n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1bxr s GLN 51 N -0.32 2.43 -0.40 5.56 -0.21 0.45 -1.23 119.66 125.93 1bxr s GLN 51 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.29 1bxr s GLN 51 Cb 0.00 -2.08 0.01 0.00 1.00 0.00 0.00 33.01 31.94 1bxr s GLN 51 CO 0.00 0.38 0.69 0.42 -2.12 0.00 0.00 175.29 174.66 1bxr s ILE 52 N -0.18 4.80 -0.17 1.08 1.01 0.29 -0.62 121.20 127.41 1bxr s ILE 52 Ca -0.03 0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.85 1bxr s ILE 52 Cb -0.13 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1bxr s ILE 52 CO 0.03 -0.51 0.62 -0.69 0.00 0.00 0.00 174.94 174.39 1bxr s VAL 53 N 2.91 5.05 -0.15 2.92 1.01 0.03 -1.29 120.40 130.88 1bxr s VAL 53 Ca 0.26 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.36 1bxr s VAL 53 Cb -0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1bxr s VAL 53 CO 0.18 0.16 0.04 -0.89 0.00 0.00 0.00 175.10 174.59 1bxr s THR 54 N 1.58 4.62 -0.14 3.92 2.01 -0.37 0.28 115.64 127.54 1bxr s THR 54 Ca 0.29 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 1bxr s THR 54 Cb -0.16 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1bxr s THR 54 CO 0.11 0.51 0.01 -0.76 -0.69 0.00 0.00 174.62 173.81 1bxr s LEU 55 N -0.05 3.58 0.14 4.42 1.43 -0.76 -0.61 118.68 126.84 1bxr s LEU 55 Ca 0.05 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1bxr s LEU 55 Cb -0.12 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1bxr s LEU 55 CO 0.01 0.24 1.35 0.71 0.23 0.00 0.00 176.35 178.90 1bxr h THR 56 N 4.72 1.39 -2.68 5.49 1.35 -1.56 -3.42 112.91 118.19 1bxr h THR 56 Ca -0.40 -2.31 -0.55 0.00 -0.55 0.00 0.00 66.41 62.61 1bxr h THR 56 Cb 1.18 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.87 1bxr h THR 56 CO 0.63 0.69 1.04 -0.47 -0.25 0.00 0.00 175.52 177.17 1bxr s TYR 57 N -3.42 2.17 0.37 4.73 5.04 -1.26 -4.91 117.35 120.05 1bxr s TYR 57 Ca -0.06 0.36 0.05 0.00 -2.44 0.00 0.00 57.07 54.98 1bxr s TYR 57 Cb 0.09 -3.83 0.74 0.00 0.35 0.00 0.00 41.96 39.31 1bxr s TYR 57 CO 0.86 -3.42 1.99 -1.00 -1.34 0.00 0.00 175.55 172.64 1bxr h PRO 58 N 9.22 0.73 -4.53 4.97 0.13 -1.93 -3.40 132.00 137.19 1bxr h PRO 58 Ca -0.37 -0.04 -0.72 0.00 -0.87 0.00 0.00 66.00 64.00 1bxr h PRO 58 Cb 1.16 -0.16 -0.23 0.00 0.13 0.00 0.00 31.00 31.90 1bxr h PRO 58 CO 0.96 0.48 -0.47 -1.01 -0.23 0.00 0.00 178.00 177.73 1bxr s HIS 59 N -5.66 3.25 -0.22 1.56 3.76 -1.26 -0.13 115.29 116.59 1bxr s HIS 59 Ca -0.10 -0.83 -0.02 0.00 -0.15 0.00 0.00 55.06 53.97 1bxr s HIS 59 Cb 0.19 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 31.33 1bxr s HIS 59 CO 0.76 -0.64 -0.09 0.42 -0.85 0.00 0.00 174.74 174.34 1bxr s ILE 60 N 1.61 2.84 0.00 0.60 -1.09 -0.58 -4.56 121.20 120.01 1bxr s ILE 60 Ca 0.03 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1bxr s ILE 60 Cb -0.19 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1bxr s ILE 60 CO 0.08 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1bxr n GLY 61 N 4.70 1.12 0.46 6.18 0.00 -1.26 -4.21 105.19 112.19 1bxr n GLY 61 Ca -0.18 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.12 1bxr n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bxr h ASN 62 N 0.00 0.01 -0.49 1.61 2.35 -1.82 -1.00 115.58 116.25 1bxr h ASN 62 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bxr h ASN 62 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1bxr h ASN 62 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1bxr n VAL 63 N -4.28 0.97 -4.86 2.81 0.24 -1.26 0.11 118.33 112.06 1bxr n VAL 63 Ca 0.18 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1bxr n VAL 63 Cb 0.94 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1bxr n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 64 N 0.98 1.02 3.22 7.63 0.00 -0.38 -4.18 105.19 113.48 1bxr n GLY 64 Ca 0.17 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1bxr n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bxr s THR 65 N 0.00 0.04 0.01 2.61 -4.23 0.79 -4.70 115.64 110.17 1bxr s THR 65 Ca 0.00 -1.88 -0.28 0.00 -1.18 0.00 0.00 61.69 58.35 1bxr s THR 65 Cb 0.00 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.64 1bxr s THR 65 CO 0.00 -0.19 0.63 0.54 -0.54 0.00 0.00 174.62 175.06 1bxr s ASN 66 N -3.10 -0.60 0.33 3.99 2.20 -1.26 0.15 114.94 116.65 1bxr s ASN 66 Ca 0.31 0.48 0.05 0.00 -0.94 0.00 0.00 52.86 52.75 1bxr s ASN 66 Cb 0.06 0.54 0.58 0.00 -2.00 0.00 0.00 41.25 40.44 1bxr s ASN 66 CO 0.07 -0.70 1.83 0.44 -2.94 0.00 0.00 177.10 175.80 1bxr h ASP 67 N 2.76 0.42 -0.11 3.54 3.32 -1.98 -2.57 116.42 121.81 1bxr h ASP 67 Ca -0.29 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1bxr h ASP 67 Cb 1.19 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1bxr h ASP 67 CO 0.39 0.57 0.19 0.00 -1.72 0.00 0.00 179.24 178.67 1bxr h ALA 68 N 1.47 1.53 -0.57 3.45 0.00 -1.96 -0.36 119.26 122.83 1bxr h ALA 68 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bxr h ALA 68 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bxr h ALA 68 CO 0.03 -0.24 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1bxr n ASP 69 N -3.45 4.09 -4.72 0.00 8.00 -0.97 -4.88 116.55 114.63 1bxr n ASP 69 Ca -0.00 -2.35 -0.37 0.00 0.71 0.00 0.00 54.79 52.78 1bxr n ASP 69 Cb 0.29 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 1bxr n ASP 69 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1bxr s GLU 70 N -1.75 4.26 0.00 -1.24 2.02 -0.15 -3.03 118.70 118.82 1bxr s GLU 70 Ca 0.44 0.18 0.21 0.00 0.02 0.00 0.00 54.97 55.82 1bxr s GLU 70 Cb 0.28 -3.45 0.53 0.00 0.10 0.00 0.00 34.13 31.59 1bxr s GLU 70 CO 0.22 0.17 1.45 0.39 0.02 0.00 0.00 175.26 177.51 1bxr n GLU 71 N 3.75 2.31 -3.77 1.61 -0.58 -1.26 -4.89 120.64 117.81 1bxr n GLU 71 Ca -0.10 -1.99 -0.02 0.00 -0.42 0.00 0.00 57.16 54.62 1bxr n GLU 71 Cb 0.52 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1bxr n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1bxr s SER 72 N -1.35 -0.11 0.42 1.62 1.04 -1.21 -1.39 113.70 112.72 1bxr s SER 72 Ca 0.38 -0.43 0.10 0.00 0.48 0.00 0.00 55.95 56.47 1bxr s SER 72 Cb 0.21 0.44 0.91 0.00 0.10 0.00 0.00 66.02 67.68 1bxr s SER 72 CO 0.29 -0.82 2.01 0.77 0.98 0.00 0.00 173.24 176.47 1bxr h SER 73 N 2.00 0.27 -5.20 7.02 4.64 -1.92 -3.45 113.55 116.91 1bxr h SER 73 Ca -0.26 -0.03 -0.44 0.00 -0.47 0.00 0.00 61.79 60.60 1bxr h SER 73 Cb 1.22 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 1bxr h SER 73 CO 0.29 0.29 -0.53 0.00 -0.87 0.00 0.00 176.83 176.01 1bxr s GLN 74 N -5.06 1.66 -0.26 4.77 -2.07 -1.26 -5.11 119.66 112.33 1bxr s GLN 74 Ca -0.06 -1.96 -0.26 0.00 -1.82 0.00 0.00 55.36 51.25 1bxr s GLN 74 Cb 0.16 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1bxr s GLN 74 CO 0.72 -0.54 0.91 0.08 -1.32 0.00 0.00 175.29 175.14 1bxr s VAL 75 N -3.55 4.74 -0.12 3.63 1.01 -1.26 -4.41 120.40 120.44 1bxr s VAL 75 Ca 0.37 1.64 0.16 0.00 0.00 0.00 0.00 61.98 64.15 1bxr s VAL 75 Cb 0.04 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.98 1bxr s VAL 75 CO 0.21 -0.19 0.46 1.41 0.00 0.00 0.00 175.10 177.00 1bxr n HIS 76 N 6.24 0.57 -1.63 5.22 -0.00 -0.26 -4.93 115.22 120.44 1bxr n HIS 76 Ca 0.08 0.20 -0.45 0.00 -0.00 0.00 0.00 57.72 57.54 1bxr n HIS 76 Cb 0.47 -1.06 -0.02 0.00 -0.00 0.00 0.00 29.99 29.38 1bxr n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bxr n ALA 77 N -2.58 0.29 0.12 -1.41 0.00 -1.13 -3.76 120.51 112.03 1bxr n ALA 77 Ca -0.21 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 1bxr n ALA 77 Cb 1.02 -2.14 0.12 0.00 0.00 0.00 0.00 19.45 18.46 1bxr n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bxr h GLN 78 N 3.15 0.04 -2.66 0.00 5.75 -1.01 -3.47 115.11 116.91 1bxr h GLN 78 Ca -0.43 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.13 1bxr h GLN 78 Cb 1.31 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.78 1bxr h GLN 78 CO 0.68 0.70 0.35 0.20 -2.65 0.00 0.00 178.83 178.12 1bxr s GLY 79 N -4.48 -0.31 -0.02 2.39 0.00 -1.22 -4.52 107.32 99.16 1bxr s GLY 79 Ca -0.01 0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1bxr s GLY 79 CO 0.78 0.07 -0.10 -2.27 0.00 0.00 0.00 173.10 171.57 1bxr s LEU 80 N -2.81 1.87 -0.08 0.66 2.96 -1.10 -0.79 118.68 119.38 1bxr s LEU 80 Ca 0.08 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1bxr s LEU 80 Cb -0.03 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.10 1bxr s LEU 80 CO -0.01 0.09 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.33 1bxr s VAL 81 N 0.05 1.00 0.20 1.68 1.01 0.14 -1.00 120.40 123.48 1bxr s VAL 81 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1bxr s VAL 81 Cb -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1bxr s VAL 81 CO 0.00 0.34 0.19 0.27 0.00 0.00 0.00 175.10 175.91 1bxr s ILE 82 N 1.15 0.02 -0.12 2.22 -4.36 -0.89 -1.82 121.20 117.40 1bxr s ILE 82 Ca -0.06 -1.83 -0.14 0.00 -0.26 0.00 0.00 60.65 58.36 1bxr s ILE 82 Cb -0.14 -2.33 -0.26 0.00 1.25 0.00 0.00 42.46 40.98 1bxr s ILE 82 CO -0.02 -0.09 0.48 -0.09 0.24 0.00 0.00 174.94 175.46 1bxr h ARG 83 N 2.58 0.22 -3.10 0.37 9.65 -1.77 -2.98 114.38 119.36 1bxr h ARG 83 Ca -0.34 -0.38 -0.21 0.00 -1.10 0.00 0.00 59.98 57.95 1bxr h ARG 83 Cb 1.24 0.14 -0.30 0.00 -1.39 0.00 0.00 29.97 29.66 1bxr h ARG 83 CO 0.50 1.18 -0.52 0.34 2.80 0.00 0.00 179.97 184.27 1bxr s ASP 84 N -7.02 -0.21 -0.35 -3.80 2.15 0.81 -0.79 116.67 107.45 1bxr s ASP 84 Ca -0.21 0.45 -0.13 0.00 0.43 0.00 0.00 52.55 53.09 1bxr s ASP 84 Cb 0.05 0.33 -0.00 0.00 -0.30 0.00 0.00 42.92 43.00 1bxr s ASP 84 CO 0.75 -0.16 0.24 -0.22 -0.17 0.00 0.00 175.17 175.61 1bxr s LEU 85 N 1.22 4.61 0.46 -1.34 2.96 -1.26 -1.53 118.68 123.80 1bxr s LEU 85 Ca -0.09 -0.58 -0.24 0.00 -0.22 0.00 0.00 54.13 53.00 1bxr s LEU 85 Cb -0.11 -2.12 -0.07 0.00 0.50 0.00 0.00 46.19 44.39 1bxr s LEU 85 CO -0.08 -0.29 1.31 -2.16 -1.32 0.00 0.00 176.35 173.81 1bxr s PRO 86 N 1.69 3.66 0.43 0.98 0.04 -1.26 -4.91 135.00 135.62 1bxr s PRO 86 Ca 0.05 2.13 0.19 0.00 0.04 0.00 0.00 61.00 63.42 1bxr s PRO 86 Cb -0.18 -2.53 1.13 0.00 0.04 0.00 0.00 34.50 32.96 1bxr s PRO 86 CO 0.10 -0.74 1.86 -0.07 0.04 0.00 0.00 177.00 178.19 1bxr h LEU 87 N 2.16 0.36 -7.81 -3.56 4.07 -1.97 -3.43 115.31 105.13 1bxr h LEU 87 Ca -0.50 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.39 1bxr h LEU 87 Cb 1.26 -0.03 -0.16 0.00 1.08 0.00 0.00 40.66 42.82 1bxr h LEU 87 CO 0.60 0.14 -0.41 0.27 -1.08 0.00 0.00 178.44 177.97 1bxr s ILE 88 N -5.37 0.13 0.04 1.22 -4.36 -1.26 -5.14 121.20 106.45 1bxr s ILE 88 Ca -0.08 -1.07 -0.11 0.00 -0.26 0.00 0.00 60.65 59.12 1bxr s ILE 88 Cb 0.22 -1.11 -0.06 0.00 1.25 0.00 0.00 42.46 42.77 1bxr s ILE 88 CO 0.78 -0.59 0.39 0.00 0.24 0.00 0.00 174.94 175.75 1bxr s ALA 89 N -3.15 3.73 -0.37 2.27 0.00 -1.26 -4.63 121.76 118.34 1bxr s ALA 89 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1bxr s ALA 89 Cb 0.02 -2.29 0.15 0.00 0.00 0.00 0.00 23.12 20.99 1bxr s ALA 89 CO -0.07 0.54 0.24 0.45 0.00 0.00 0.00 175.76 176.92 1bxr s SER 90 N -1.47 2.68 -0.28 0.00 0.15 0.30 -4.90 113.70 110.18 1bxr s SER 90 Ca 0.29 -2.42 -0.23 0.00 0.70 0.00 0.00 55.95 54.28 1bxr s SER 90 Cb -0.15 -0.46 0.10 0.00 -1.71 0.00 0.00 66.02 63.81 1bxr s SER 90 CO 0.16 -0.27 0.89 0.21 1.20 0.00 0.00 173.24 175.42 1bxr s ASN 91 N 0.78 -0.61 0.54 5.45 3.84 -1.26 -4.73 114.94 118.95 1bxr s ASN 91 Ca 0.21 1.13 0.23 0.00 0.21 0.00 0.00 52.86 54.64 1bxr s ASN 91 Cb -0.17 1.17 1.43 0.00 -0.55 0.00 0.00 41.25 43.12 1bxr s ASN 91 CO -0.04 -0.19 2.08 2.19 -2.79 0.00 0.00 177.10 178.35 1bxr h PHE 92 N 4.94 0.00 -0.00 0.43 -0.00 -1.98 -2.23 116.94 118.10 1bxr h PHE 92 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1bxr h PHE 92 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1bxr h PHE 92 CO 0.30 0.00 -0.23 0.54 -0.00 0.00 0.00 178.31 178.91 1bxr n ARG 93 N -4.28 0.16 -2.18 6.09 1.74 -1.26 -4.93 116.66 112.00 1bxr n ARG 93 Ca 0.03 -0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.66 1bxr n ARG 93 Cb 0.36 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1bxr n ARG 93 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1bxr s ASN 94 N -2.88 6.54 0.00 0.55 2.47 -0.84 -4.46 114.94 116.32 1bxr s ASN 94 Ca 0.16 2.52 0.00 0.00 0.42 0.00 0.00 52.86 55.97 1bxr s ASN 94 Cb 0.19 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1bxr s ASN 94 CO 0.59 -0.68 0.07 0.35 -3.72 0.00 0.00 177.10 173.71 1bxr n THR 95 N 0.31 0.00 -3.64 -5.21 -2.24 0.39 -4.91 114.28 98.98 1bxr n THR 95 Ca 0.03 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 1bxr n THR 95 Cb 0.44 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 1bxr n THR 95 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bxr s GLU 96 N -0.41 0.39 0.72 -0.78 2.12 -1.17 -4.96 118.70 114.60 1bxr s GLU 96 Ca 0.00 0.66 -0.16 0.00 0.36 0.00 0.00 54.97 55.84 1bxr s GLU 96 Cb 0.00 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.51 1bxr s GLU 96 CO 0.00 -0.08 1.25 0.16 -0.54 0.00 0.00 175.26 176.05 1bxr s ASP 97 N 1.30 4.11 0.15 -1.70 -4.77 -1.26 -0.14 116.67 114.36 1bxr s ASP 97 Ca -0.09 2.51 -0.18 0.00 -3.30 0.00 0.00 52.55 51.49 1bxr s ASP 97 Cb -0.04 -2.60 0.05 0.00 -1.09 0.00 0.00 42.92 39.24 1bxr s ASP 97 CO -0.15 -2.33 1.70 0.25 0.70 0.00 0.00 175.17 175.35 1bxr h LEU 98 N -0.15 -0.16 -0.65 2.11 5.85 -1.84 -1.23 115.31 119.25 1bxr h LEU 98 Ca -0.49 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.39 1bxr h LEU 98 Cb 1.32 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1bxr h LEU 98 CO 0.50 -0.05 0.31 -1.28 -0.34 0.00 0.00 178.44 177.58 1bxr h SER 99 N 0.07 0.41 -0.29 1.25 0.87 -1.91 0.17 113.55 114.12 1bxr h SER 99 Ca 0.15 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1bxr h SER 99 Cb 0.21 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1bxr h SER 99 CO -0.27 0.25 -0.05 0.28 -0.53 0.00 0.00 176.83 176.51 1bxr h SER 100 N 0.56 0.64 -0.64 6.23 0.02 -1.78 -1.69 113.55 116.89 1bxr h SER 100 Ca 0.31 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1bxr h SER 100 Cb 0.30 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1bxr h SER 100 CO -0.25 0.74 0.35 0.22 -1.14 0.00 0.00 176.83 176.76 1bxr h TYR 101 N 0.62 0.88 -0.40 3.45 3.20 0.14 0.31 116.97 125.17 1bxr h TYR 101 Ca 0.12 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1bxr h TYR 101 Cb 0.46 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1bxr h TYR 101 CO 0.02 0.63 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.01 1bxr h LEU 102 N 0.88 0.78 -0.16 2.82 3.38 -0.37 -2.23 115.31 120.41 1bxr h LEU 102 Ca 0.23 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1bxr h LEU 102 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1bxr h LEU 102 CO -0.04 0.96 0.04 0.11 0.09 0.00 0.00 178.44 179.61 1bxr h LYS 103 N 0.59 0.26 -0.87 1.13 1.57 -1.10 0.30 116.57 118.46 1bxr h LYS 103 Ca 0.10 -0.06 0.23 0.00 -1.87 0.00 0.00 60.65 59.05 1bxr h LYS 103 Cb 0.62 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1bxr h LYS 103 CO 0.04 0.40 0.60 -0.09 -0.57 0.00 0.00 179.45 179.83 1bxr h ARG 104 N 0.07 0.18 -0.35 3.15 2.43 -0.82 0.32 114.38 119.36 1bxr h ARG 104 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1bxr h ARG 104 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1bxr h ARG 104 CO 0.00 0.12 0.00 0.72 -1.51 0.00 0.00 179.97 179.30 1bxr n HIS 105 N -4.39 0.46 -3.67 2.20 8.25 -0.85 -4.95 115.22 112.26 1bxr n HIS 105 Ca 0.18 -0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 57.19 1bxr n HIS 105 Cb 0.82 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.96 1bxr n HIS 105 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1bxr n ASN 106 N 1.00 -2.33 -4.66 0.41 2.85 0.11 -4.97 115.26 107.68 1bxr n ASN 106 Ca 0.18 -0.86 -0.35 0.00 -0.11 0.00 0.00 54.58 53.44 1bxr n ASN 106 Cb 0.48 -3.97 -0.09 0.00 1.24 0.00 0.00 39.78 37.43 1bxr n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1bxr s ILE 107 N -3.63 4.77 -0.11 -1.44 -1.09 1.00 -4.84 121.20 115.87 1bxr s ILE 107 Ca 0.13 -0.05 -0.23 0.00 -2.23 0.00 0.00 60.65 58.27 1bxr s ILE 107 Cb -0.04 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1bxr s ILE 107 CO 0.82 0.49 0.69 -0.69 -1.23 0.00 0.00 174.94 175.02 1bxr s VAL 108 N 0.10 5.03 0.06 2.92 1.01 -1.26 0.14 120.40 128.40 1bxr s VAL 108 Ca 0.05 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 1bxr s VAL 108 Cb -0.12 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1bxr s VAL 108 CO 0.01 0.20 0.26 0.00 0.00 0.00 0.00 175.10 175.57 1bxr s ALA 109 N 1.18 -0.54 0.01 5.51 0.00 -1.26 -2.70 121.76 123.97 1bxr s ALA 109 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1bxr s ALA 109 Cb -0.17 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1bxr s ALA 109 CO 0.15 -0.44 -0.04 -1.50 0.00 0.00 0.00 175.76 173.93 1bxr s ILE 110 N -2.96 0.28 0.49 0.00 2.07 -0.17 -2.28 121.20 118.63 1bxr s ILE 110 Ca -0.02 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 58.79 1bxr s ILE 110 Cb 0.01 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.30 1bxr s ILE 110 CO -0.06 -0.12 0.05 0.00 -1.91 0.00 0.00 174.94 172.91 1bxr n ALA 111 N 2.46 0.50 -2.64 1.50 0.00 0.14 -2.09 120.51 120.37 1bxr n ALA 111 Ca -0.16 -2.29 -0.16 0.00 0.00 0.00 0.00 53.44 50.83 1bxr n ALA 111 Cb 0.57 1.35 0.02 0.00 0.00 0.00 0.00 19.45 21.39 1bxr n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bxr n ASP 112 N -1.38 -4.76 -4.62 0.00 8.00 0.03 -1.59 116.55 112.23 1bxr n ASP 112 Ca -0.16 -0.15 -0.25 0.00 0.71 0.00 0.00 54.79 54.94 1bxr n ASP 112 Cb 0.65 -3.71 -0.09 0.00 -0.02 0.00 0.00 41.12 37.95 1bxr n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1bxr s ILE 113 N -2.92 2.41 -1.28 0.53 -5.25 -1.22 -4.59 121.20 108.88 1bxr s ILE 113 Ca 0.15 -2.01 -0.16 0.00 -0.99 0.00 0.00 60.65 57.63 1bxr s ILE 113 Cb -0.07 -2.80 0.10 0.00 2.95 0.00 0.00 42.46 42.64 1bxr s ILE 113 CO 0.18 -0.15 1.67 -0.67 -1.79 0.00 0.00 174.94 174.18 1bxr n ASP 114 N -0.94 4.99 0.33 4.36 -0.08 -1.26 -4.40 116.55 119.55 1bxr n ASP 114 Ca -0.04 -2.94 0.21 0.00 -1.51 0.00 0.00 54.79 50.51 1bxr n ASP 114 Cb 0.63 -1.68 1.15 0.00 2.34 0.00 0.00 41.12 43.56 1bxr n ASP 114 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1bxr h THR 115 N 5.17 0.13 0.07 5.18 1.35 -1.92 -1.81 112.91 121.08 1bxr h THR 115 Ca 0.41 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 66.03 1bxr h THR 115 Cb 0.86 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1bxr h THR 115 CO 1.41 0.00 -1.13 -0.09 -0.25 0.00 0.00 175.52 175.47 1bxr h ARG 116 N 0.00 0.18 -0.30 4.72 2.43 -1.91 -0.02 114.38 119.48 1bxr h ARG 116 Ca 0.00 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 1bxr h ARG 116 Cb 0.01 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1bxr h ARG 116 CO -0.00 1.12 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.20 1bxr h LYS 117 N 0.06 0.64 -0.02 0.20 3.64 -1.76 0.15 116.57 119.48 1bxr h LYS 117 Ca -0.08 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1bxr h LYS 117 Cb 1.86 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1bxr h LYS 117 CO 0.17 0.87 -0.02 1.25 -2.27 0.00 0.00 179.45 179.46 1bxr h LEU 118 N 0.39 -0.06 -0.08 5.20 5.85 -1.44 -2.01 115.31 123.16 1bxr h LEU 118 Ca 0.07 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1bxr h LEU 118 Cb 0.69 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1bxr h LEU 118 CO 0.05 -0.03 -0.11 0.74 -0.34 0.00 0.00 178.44 178.74 1bxr h THR 119 N -0.03 0.69 -0.88 1.05 2.02 -0.75 -1.84 112.91 113.18 1bxr h THR 119 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.26 1bxr h THR 119 Cb 0.05 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1bxr h THR 119 CO -0.04 0.00 0.57 0.03 0.37 0.00 0.00 175.52 176.45 1bxr h ARG 120 N -0.15 0.95 -0.25 6.66 3.08 -0.77 -0.06 114.38 123.84 1bxr h ARG 120 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1bxr h ARG 120 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1bxr h ARG 120 CO -0.17 0.63 0.10 1.25 -1.07 0.00 0.00 179.97 180.70 1bxr h LEU 121 N 0.98 0.35 -0.23 3.04 5.85 -0.82 0.81 115.31 125.29 1bxr h LEU 121 Ca 0.38 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1bxr h LEU 121 Cb 0.22 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1bxr h LEU 121 CO -0.14 0.43 0.07 -0.07 -0.34 0.00 0.00 178.44 178.39 1bxr h LEU 122 N 0.25 0.33 -0.55 2.25 3.38 -0.91 1.02 115.31 121.09 1bxr h LEU 122 Ca 0.08 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1bxr h LEU 122 Cb 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1bxr h LEU 122 CO -0.01 0.45 0.35 -0.09 0.09 0.00 0.00 178.44 179.23 1bxr h ARG 123 N 0.20 0.68 0.02 1.13 2.43 -0.86 0.49 114.38 118.47 1bxr h ARG 123 Ca 0.07 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 1bxr h ARG 123 Cb 0.23 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1bxr h ARG 123 CO -0.00 0.45 -0.78 0.93 -1.51 0.00 0.00 179.97 179.06 1bxr h GLU 124 N 0.70 0.50 -0.00 0.20 4.39 -0.51 -3.35 114.58 116.50 1bxr h GLU 124 Ca 0.21 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1bxr h GLU 124 Cb -0.04 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1bxr h GLU 124 CO -0.07 1.19 -0.59 1.63 -1.16 0.00 0.00 179.01 180.02 1bxr n LYS 125 N -4.08 1.67 0.00 2.33 5.02 0.35 -5.07 118.16 118.38 1bxr n LYS 125 Ca -0.11 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1bxr n LYS 125 Cb 0.76 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1bxr n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bxr n GLY 126 N 1.30 0.28 3.59 0.72 0.00 0.17 -4.96 105.19 106.30 1bxr n GLY 126 Ca 0.05 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1bxr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr n ALA 127 N 0.44 -0.03 -2.17 4.61 0.00 -0.96 -4.54 120.51 117.87 1bxr n ALA 127 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1bxr n ALA 127 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 17.31 1bxr n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bxr s GLN 128 N -1.84 0.87 0.14 0.00 -0.21 -1.26 -5.06 119.66 112.30 1bxr s GLN 128 Ca 0.62 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1bxr s GLN 128 Cb -0.60 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 1bxr s GLN 128 CO 0.58 -0.11 0.22 -0.80 -2.12 0.00 0.00 175.29 173.06 1bxr s ASN 129 N -3.05 6.05 0.36 5.90 0.01 -1.26 -0.80 114.94 122.14 1bxr s ASN 129 Ca 0.16 0.08 -0.06 0.00 -0.71 0.00 0.00 52.86 52.34 1bxr s ASN 129 Cb 0.06 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1bxr s ASN 129 CO -0.03 0.08 0.55 -0.83 -1.51 0.00 0.00 177.10 175.37 1bxr s GLY 130 N -3.04 1.23 -0.06 0.66 0.00 0.11 -1.31 107.32 104.91 1bxr s GLY 130 Ca 0.33 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 1bxr s GLY 130 CO 0.26 -0.83 0.13 0.00 0.00 0.00 0.00 173.10 172.66 1bxr s ILE 132 N 1.19 4.50 -0.20 0.00 1.01 0.29 -0.92 121.20 127.09 1bxr s ILE 132 Ca -0.09 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1bxr s ILE 132 Cb -0.12 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1bxr s ILE 132 CO -0.05 0.52 -0.09 -0.63 0.00 0.00 0.00 174.94 174.68 1bxr s ILE 133 N -0.04 1.54 -0.26 2.92 1.01 0.14 -0.08 121.20 126.44 1bxr s ILE 133 Ca 0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 1bxr s ILE 133 Cb -0.12 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1bxr s ILE 133 CO 0.02 0.13 0.06 0.00 0.00 0.00 0.00 174.94 175.15 1bxr s ALA 134 N 1.43 3.09 0.00 9.38 0.00 0.15 -1.64 121.76 134.17 1bxr s ALA 134 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1bxr s ALA 134 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1bxr s ALA 134 CO -0.08 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1bxr n GLY 135 N 4.89 -2.02 0.00 0.00 0.00 -0.60 -0.27 105.19 107.20 1bxr n GLY 135 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1bxr n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxr n ASP 136 N 1.95 0.00 -4.20 1.61 8.00 -1.26 -3.71 116.55 118.94 1bxr n ASP 136 Ca 0.00 0.28 -0.41 0.00 0.71 0.00 0.00 54.79 55.37 1bxr n ASP 136 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1bxr n ASP 136 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1bxr s ASN 137 N -2.81 6.10 0.25 -2.24 -0.87 -1.26 -4.59 114.94 109.52 1bxr s ASN 137 Ca 0.00 -3.07 -0.30 0.00 -1.57 0.00 0.00 52.86 47.92 1bxr s ASN 137 Cb 0.00 -2.02 -0.10 0.00 -0.02 0.00 0.00 41.25 39.11 1bxr s ASN 137 CO 0.00 -0.38 1.48 -2.16 -2.57 0.00 0.00 177.10 173.46 1bxr s PRO 138 N -0.40 4.24 -0.32 -0.60 0.05 -1.24 -4.96 135.00 131.76 1bxr s PRO 138 Ca 0.21 2.35 -0.20 0.00 0.05 0.00 0.00 61.00 63.41 1bxr s PRO 138 Cb -0.13 -3.10 -0.01 0.00 0.05 0.00 0.00 34.50 31.31 1bxr s PRO 138 CO -0.07 -0.47 0.63 0.34 0.05 0.00 0.00 177.00 177.47 1bxr s ASP 139 N 0.47 6.47 0.12 6.66 2.15 -1.26 -4.96 116.67 126.32 1bxr s ASP 139 Ca 0.61 0.33 -0.15 0.00 0.43 0.00 0.00 52.55 53.77 1bxr s ASP 139 Cb -0.43 -2.33 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1bxr s ASP 139 CO 0.43 -0.52 1.55 0.00 -0.17 0.00 0.00 175.17 176.46 1bxr h ALA 140 N 8.28 0.51 -0.53 3.66 0.00 -1.99 -1.94 119.26 127.25 1bxr h ALA 140 Ca -0.27 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1bxr h ALA 140 Cb 1.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1bxr h ALA 140 CO 0.81 0.31 0.35 0.00 0.00 0.00 0.00 179.25 180.72 1bxr h ALA 141 N 0.86 1.69 -0.22 0.00 0.00 -1.98 0.41 119.26 120.03 1bxr h ALA 141 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1bxr h ALA 141 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bxr h ALA 141 CO 0.02 0.26 -0.34 1.25 0.00 0.00 0.00 179.25 180.44 1bxr h LEU 142 N 0.65 0.68 -0.52 0.00 5.85 -1.93 0.43 115.31 120.47 1bxr h LEU 142 Ca 0.21 -0.52 -0.13 0.00 0.84 0.00 0.00 57.88 58.27 1bxr h LEU 142 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1bxr h LEU 142 CO -0.05 1.07 -0.23 0.00 -0.34 0.00 0.00 178.44 178.89 1bxr h ALA 143 N 0.63 0.71 0.09 1.25 0.00 -0.65 -0.07 119.26 121.22 1bxr h ALA 143 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bxr h ALA 143 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1bxr h ALA 143 CO 0.08 0.67 -0.09 1.25 0.00 0.00 0.00 179.25 181.16 1bxr h LEU 144 N 0.83 -0.24 -1.10 0.00 5.85 -0.07 0.28 115.31 120.85 1bxr h LEU 144 Ca 0.11 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1bxr h LEU 144 Cb 0.80 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1bxr h LEU 144 CO 0.07 -0.14 0.61 -0.08 -0.34 0.00 0.00 178.44 178.55 1bxr h GLU 145 N -0.21 1.20 -0.29 1.25 4.81 -0.73 -0.39 114.58 120.22 1bxr h GLU 145 Ca 0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1bxr h GLU 145 Cb 0.20 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1bxr h GLU 145 CO -0.03 0.79 -0.38 0.87 -0.73 0.00 0.00 179.01 179.54 1bxr h LYS 146 N 1.23 0.66 -0.50 1.92 1.57 -0.41 -1.12 116.57 119.93 1bxr h LYS 146 Ca 0.34 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1bxr h LYS 146 Cb -0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1bxr h LYS 146 CO -0.08 0.93 0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1bxr h ALA 147 N 1.03 1.08 0.00 3.86 0.00 0.10 -2.18 119.26 123.15 1bxr h ALA 147 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1bxr h ALA 147 Cb 0.90 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1bxr h ALA 147 CO 0.08 0.58 -0.52 0.00 0.00 0.00 0.00 179.25 179.39 1bxr h ARG 148 N 0.78 0.00 0.00 0.00 3.08 -1.01 -3.05 114.38 114.18 1bxr h ARG 148 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1bxr h ARG 148 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1bxr h ARG 148 CO 0.02 0.52 -0.14 0.00 -1.07 0.00 0.00 179.97 179.30 1bxr n ALA 149 N -2.40 2.47 -1.75 0.04 0.00 -0.43 -4.80 120.51 113.63 1bxr n ALA 149 Ca -0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1bxr n ALA 149 Cb 0.56 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1bxr n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bxr n PHE 150 N -2.08 2.88 0.04 0.00 7.35 -0.85 -4.89 117.46 119.91 1bxr n PHE 150 Ca 0.05 0.35 -0.02 0.00 -0.76 0.00 0.00 57.45 57.08 1bxr n PHE 150 Cb 0.41 -2.56 0.25 0.00 0.35 0.00 0.00 39.48 37.94 1bxr n PHE 150 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1bxr h PRO 151 N 3.93 0.40 0.00 -7.13 0.13 -1.90 -3.50 132.00 123.94 1bxr h PRO 151 Ca -0.48 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1bxr h PRO 151 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bxr h PRO 151 CO 0.72 0.60 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 1bxr n GLY 152 N -0.51 1.72 0.23 1.56 0.00 -1.26 -4.86 105.19 102.07 1bxr n GLY 152 Ca -0.00 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.53 1bxr n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bxr h LEU 153 N 0.00 0.00 -9.27 0.99 3.38 -1.95 -3.41 115.31 105.05 1bxr h LEU 153 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1bxr h LEU 153 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bxr h LEU 153 CO 0.00 0.14 1.20 0.21 0.09 0.00 0.00 178.44 180.07 1bxr s ASN 154 N -6.07 6.44 0.00 -0.43 3.04 -1.26 -0.72 114.94 115.94 1bxr s ASN 154 Ca 0.02 2.38 0.00 0.00 0.04 0.00 0.00 52.86 55.30 1bxr s ASN 154 Cb 0.08 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1bxr s ASN 154 CO 0.63 -1.10 0.00 0.61 -3.04 0.00 0.00 177.10 174.20 1bxr n GLY 155 N 4.50 0.71 3.66 1.21 0.00 -1.26 -5.01 105.19 108.99 1bxr n GLY 155 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1bxr n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1bxr s MET 156 N -0.14 4.14 -0.26 1.61 0.00 0.11 -4.81 119.30 119.95 1bxr s MET 156 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 55.69 55.66 1bxr s MET 156 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 34.83 31.26 1bxr s MET 156 CO 0.00 -0.11 0.77 0.34 0.00 0.00 0.00 175.02 176.02 1bxr s ASP 157 N 1.17 6.73 -0.02 1.11 -1.08 -1.26 -0.98 116.67 122.35 1bxr s ASP 157 Ca 0.19 0.87 0.08 0.00 -0.52 0.00 0.00 52.55 53.17 1bxr s ASP 157 Cb -0.15 -2.40 -0.12 0.00 -1.46 0.00 0.00 42.92 38.78 1bxr s ASP 157 CO 0.08 -0.50 0.17 0.18 0.52 0.00 0.00 175.17 175.62 1bxr n LEU 158 N 5.97 0.00 -0.26 -1.34 4.77 -1.26 -4.59 117.00 120.29 1bxr n LEU 158 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1bxr n LEU 158 Cb 0.48 0.01 0.36 0.00 -2.33 0.00 0.00 43.42 41.94 1bxr n LEU 158 CO 0.47 0.01 1.22 0.00 -1.33 0.00 0.00 177.39 177.76 1bxr h ALA 159 N 0.71 1.79 0.00 -1.18 0.00 -1.79 0.55 119.26 119.33 1bxr h ALA 159 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bxr h ALA 159 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bxr h ALA 159 CO 0.00 -0.00 -0.15 1.57 0.00 0.00 0.00 179.25 180.67 1bxr h LYS 160 N 0.73 0.00 0.00 0.00 2.10 -1.90 -1.36 116.57 116.15 1bxr h LYS 160 Ca 0.43 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.00 1bxr h LYS 160 Cb 0.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1bxr h LYS 160 CO -0.19 0.15 -0.51 0.93 -2.00 0.00 0.00 179.45 177.84 1bxr h GLU 161 N 0.00 0.00 -0.01 0.07 4.39 -1.15 -3.34 114.58 114.55 1bxr h GLU 161 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bxr h GLU 161 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1bxr h GLU 161 CO 0.02 0.29 -0.02 1.33 -1.16 0.00 0.00 179.01 179.46 1bxr n VAL 162 N -3.10 0.00 -1.25 3.13 0.24 -1.06 -5.04 118.33 111.25 1bxr n VAL 162 Ca 0.01 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 1bxr n VAL 162 Cb 0.67 1.10 0.13 0.00 -1.47 0.00 0.00 33.84 34.27 1bxr n VAL 162 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1bxr s THR 163 N -0.54 2.72 0.21 3.34 -1.32 -0.54 -4.63 115.64 114.89 1bxr s THR 163 Ca 0.06 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.47 1bxr s THR 163 Cb 0.04 -2.75 -0.09 0.00 -1.51 0.00 0.00 72.50 68.19 1bxr s THR 163 CO 0.08 -0.30 1.28 0.28 -2.21 0.00 0.00 174.62 173.74 1bxr s THR 164 N -2.96 3.24 0.04 5.08 -1.32 -1.26 -4.94 115.64 113.51 1bxr s THR 164 Ca 0.63 1.06 -0.18 0.00 -1.21 0.00 0.00 61.69 61.98 1bxr s THR 164 Cb -0.17 -3.67 -0.09 0.00 -1.51 0.00 0.00 72.50 67.05 1bxr s THR 164 CO 0.57 0.17 1.28 0.00 -2.21 0.00 0.00 174.62 174.43 1bxr h ALA 165 N 5.05 -1.05 -2.47 11.08 0.00 -1.98 -3.36 119.26 126.54 1bxr h ALA 165 Ca -0.45 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 1bxr h ALA 165 Cb 1.22 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1bxr h ALA 165 CO 0.75 -1.04 -0.48 -1.21 0.00 0.00 0.00 179.25 177.28 1bxr s GLU 166 N -4.44 3.33 0.58 0.00 2.02 -1.26 -4.73 118.70 114.20 1bxr s GLU 166 Ca -0.09 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 1bxr s GLU 166 Cb 0.02 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1bxr s GLU 166 CO 0.30 0.49 0.99 0.00 0.02 0.00 0.00 175.26 177.06 1bxr s ALA 167 N -1.82 3.13 0.36 5.21 0.00 -1.26 -4.64 121.76 122.74 1bxr s ALA 167 Ca 0.34 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 1bxr s ALA 167 Cb -0.10 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1bxr s ALA 167 CO 0.28 -0.55 0.66 1.52 0.00 0.00 0.00 175.76 177.66 1bxr s TYR 168 N -3.01 0.44 0.03 0.00 1.13 0.82 -4.95 117.35 111.81 1bxr s TYR 168 Ca 0.55 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 1bxr s TYR 168 Cb -0.11 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1bxr s TYR 168 CO 0.48 -1.37 -0.02 0.45 -2.51 0.00 0.00 175.55 172.58 1bxr s SER 169 N -3.12 4.95 -0.08 -0.18 0.15 -1.26 0.17 113.70 114.34 1bxr s SER 169 Ca 0.21 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1bxr s SER 169 Cb -0.03 -1.21 0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1bxr s SER 169 CO 0.14 0.24 0.04 0.86 1.20 0.00 0.00 173.24 175.73 1bxr s TRP 170 N -1.15 0.33 -0.05 3.44 -0.11 -0.36 -4.91 118.94 116.12 1bxr s TRP 170 Ca 0.21 -0.02 0.08 0.00 1.22 0.00 0.00 56.10 57.59 1bxr s TRP 170 Cb -0.11 -0.65 0.12 0.00 -1.50 0.00 0.00 33.47 31.33 1bxr s TRP 170 CO 0.12 -0.30 1.01 0.25 -4.62 0.00 0.00 176.95 173.42 1bxr n THR 171 N 5.23 0.91 -3.64 5.86 -2.24 -1.26 -2.41 114.28 116.73 1bxr n THR 171 Ca -0.05 -1.07 -0.36 0.00 -2.27 0.00 0.00 64.05 60.30 1bxr n THR 171 Cb 0.50 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1bxr n THR 171 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bxr s GLN 172 N -1.33 3.72 0.35 -0.78 0.74 -1.26 0.07 119.66 121.17 1bxr s GLN 172 Ca 0.13 0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.71 1bxr s GLN 172 Cb 0.12 -3.12 0.06 0.00 1.10 0.00 0.00 33.01 31.17 1bxr s GLN 172 CO 0.01 0.66 0.48 0.41 -0.55 0.00 0.00 175.29 176.30 1bxr n GLY 173 N 1.42 1.25 3.79 2.59 0.00 -1.26 -4.09 105.19 108.89 1bxr n GLY 173 Ca -0.13 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1bxr n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bxr s SER 174 N -3.03 5.87 0.65 1.61 0.01 -1.24 -4.51 113.70 113.07 1bxr s SER 174 Ca 0.34 1.91 -0.14 0.00 1.31 0.00 0.00 55.95 59.37 1bxr s SER 174 Cb -0.02 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1bxr s SER 174 CO 0.22 -1.10 1.08 0.86 0.41 0.00 0.00 173.24 174.70 1bxr s TRP 175 N -2.21 2.84 0.02 2.43 -0.00 -1.26 -4.42 118.94 116.33 1bxr s TRP 175 Ca 0.66 1.52 0.01 0.00 -0.00 0.00 0.00 56.10 58.29 1bxr s TRP 175 Cb -0.18 -3.05 -0.01 0.00 -0.00 0.00 0.00 33.47 30.23 1bxr s TRP 175 CO 0.31 -1.40 -0.04 0.95 -0.00 0.00 0.00 176.95 176.78 1bxr s THR 176 N -2.54 0.23 0.13 5.86 -4.23 -1.00 -4.93 115.64 109.16 1bxr s THR 176 Ca 0.64 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 60.24 1bxr s THR 176 Cb -0.17 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 1bxr s THR 176 CO 0.43 -0.30 1.66 0.25 -0.54 0.00 0.00 174.62 176.12 1bxr h LEU 177 N 5.08 -0.57 0.33 4.79 5.85 -1.98 0.79 115.31 129.61 1bxr h LEU 177 Ca -0.31 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1bxr h LEU 177 Cb 1.21 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1bxr h LEU 177 CO 0.44 -0.23 -0.16 0.74 -0.34 0.00 0.00 178.44 178.89 1bxr h THR 178 N -0.24 0.69 0.00 1.05 2.02 -2.04 -3.38 112.91 111.00 1bxr h THR 178 Ca 0.09 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1bxr h THR 178 Cb 0.37 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1bxr h THR 178 CO -0.26 0.08 -0.27 1.23 0.37 0.00 0.00 175.52 176.67 1bxr h GLY 179 N -0.67 0.00 0.00 2.16 0.00 -1.96 -3.51 103.07 99.09 1bxr h GLY 179 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1bxr h GLY 179 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1bxr n GLY 180 N 1.65 -0.71 3.65 4.60 0.00 0.28 -4.89 105.19 109.75 1bxr n GLY 180 Ca -0.09 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1bxr n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 181 N 0.00 4.12 1.28 0.99 1.43 -1.26 -2.38 118.68 122.85 1bxr s LEU 181 Ca 0.00 1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 54.63 1bxr s LEU 181 Cb 0.00 -3.54 0.32 0.00 0.03 0.00 0.00 46.19 43.00 1bxr s LEU 181 CO 0.00 -0.92 1.00 -2.16 0.23 0.00 0.00 176.35 174.50 1bxr s PRO 182 N 3.89 -1.80 0.18 1.29 0.04 -1.26 -5.01 135.00 132.33 1bxr s PRO 182 Ca 0.61 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 1bxr s PRO 182 Cb -0.24 -1.49 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 1bxr s PRO 182 CO 0.21 -4.18 0.54 -1.14 0.04 0.00 0.00 177.00 172.47 1bxr s GLN 183 N -4.90 3.89 0.44 4.56 0.74 -1.26 -4.81 119.66 118.32 1bxr s GLN 183 Ca 0.69 0.38 -0.25 0.00 0.05 0.00 0.00 55.36 56.23 1bxr s GLN 183 Cb -0.17 -2.81 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 1bxr s GLN 183 CO 0.60 0.41 1.24 0.00 -0.55 0.00 0.00 175.29 176.99 1bxr n ALA 184 N 0.41 1.17 -2.12 1.58 0.00 -1.26 -4.66 120.51 115.63 1bxr n ALA 184 Ca -0.03 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 1bxr n ALA 184 Cb 0.52 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1bxr n ALA 184 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bxr s LYS 185 N -2.28 4.39 0.06 0.00 1.02 0.11 -4.94 119.74 118.09 1bxr s LYS 185 Ca 0.63 0.96 -0.31 0.00 0.02 0.00 0.00 55.97 57.27 1bxr s LYS 185 Cb -0.50 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 1bxr s LYS 185 CO 0.56 0.59 1.31 0.15 -0.92 0.00 0.00 175.35 177.04 1bxr s LYS 186 N -1.20 4.36 0.34 1.68 3.01 -1.26 -4.71 119.74 121.96 1bxr s LYS 186 Ca 0.33 1.91 0.17 0.00 -1.01 0.00 0.00 55.97 57.37 1bxr s LYS 186 Cb -0.21 -3.37 1.18 0.00 -1.01 0.00 0.00 37.83 34.42 1bxr s LYS 186 CO 0.23 -0.40 1.49 0.39 0.51 0.00 0.00 175.35 177.57 1bxr n GLU 187 N 4.32 -0.06 0.08 1.68 1.02 -1.26 0.40 120.64 126.82 1bxr n GLU 187 Ca 0.11 1.32 0.09 0.00 -0.02 0.00 0.00 57.16 58.66 1bxr n GLU 187 Cb 0.44 -2.32 0.40 0.00 -0.02 0.00 0.00 31.44 29.94 1bxr n GLU 187 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bxr n ASP 188 N -5.17 0.37 0.11 1.62 5.68 -1.26 -1.85 116.55 116.05 1bxr n ASP 188 Ca 0.34 0.60 0.12 0.00 -0.50 0.00 0.00 54.79 55.35 1bxr n ASP 188 Cb 1.14 -0.68 0.24 0.00 -1.14 0.00 0.00 41.12 40.68 1bxr n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1bxr h GLU 189 N 0.00 0.00 -4.69 0.11 5.08 0.75 -3.44 114.58 112.39 1bxr h GLU 189 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1bxr h GLU 189 Cb 0.27 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.27 1bxr h GLU 189 CO 0.00 0.00 -0.57 -0.51 -1.00 0.00 0.00 179.01 176.93 1bxr s LEU 190 N -4.85 4.32 0.14 1.33 1.43 -0.77 -4.99 118.68 115.29 1bxr s LEU 190 Ca 0.07 -0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1bxr s LEU 190 Cb 0.11 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1bxr s LEU 190 CO 0.67 -0.29 1.65 1.55 0.23 0.00 0.00 176.35 180.15 1bxr h PRO 191 N 8.32 -0.26 -6.89 1.29 0.13 -1.82 -3.43 132.00 129.34 1bxr h PRO 191 Ca -0.27 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 1bxr h PRO 191 Cb 1.11 0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.34 1bxr h PRO 191 CO 0.63 -0.17 0.05 -0.06 -0.23 0.00 0.00 178.00 178.21 1bxr s PHE 192 N -6.10 3.35 -0.20 1.56 0.08 -0.84 -4.92 117.98 110.91 1bxr s PHE 192 Ca -0.15 0.54 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1bxr s PHE 192 Cb 0.11 -2.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1bxr s PHE 192 CO 0.67 -0.46 0.04 -1.58 -0.10 0.00 0.00 175.22 173.79 1bxr s HIS 193 N -2.74 1.00 -0.06 0.36 5.65 -1.25 0.22 115.29 118.46 1bxr s HIS 193 Ca 0.49 -0.85 0.02 0.00 0.25 0.00 0.00 55.06 54.97 1bxr s HIS 193 Cb -0.10 -1.02 -0.03 0.00 -1.18 0.00 0.00 32.58 30.25 1bxr s HIS 193 CO 0.42 -0.61 -0.10 0.08 -0.65 0.00 0.00 174.74 173.88 1bxr s VAL 194 N 1.87 3.43 -0.25 0.89 1.01 1.30 -0.69 120.40 127.95 1bxr s VAL 194 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1bxr s VAL 194 Cb -0.17 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1bxr s VAL 194 CO -0.09 0.59 0.23 -0.69 0.00 0.00 0.00 175.10 175.15 1bxr s VAL 195 N -0.76 5.29 -0.14 2.92 1.01 -1.09 -0.81 120.40 126.83 1bxr s VAL 195 Ca 0.12 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1bxr s VAL 195 Cb -0.11 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1bxr s VAL 195 CO 0.01 0.27 -0.20 0.00 0.00 0.00 0.00 175.10 175.18 1bxr s ALA 196 N 1.47 2.14 -0.30 5.51 0.00 0.05 0.52 121.76 131.15 1bxr s ALA 196 Ca 0.10 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 1bxr s ALA 196 Cb -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1bxr s ALA 196 CO 0.08 -0.06 0.87 0.71 0.00 0.00 0.00 175.76 177.36 1bxr s TYR 197 N 0.89 3.20 -0.63 0.00 1.51 0.12 -1.02 117.35 121.41 1bxr s TYR 197 Ca -0.06 0.95 -0.25 0.00 -1.01 0.00 0.00 57.07 56.70 1bxr s TYR 197 Cb -0.15 -3.33 0.05 0.00 -0.11 0.00 0.00 41.96 38.41 1bxr s TYR 197 CO -0.03 -0.61 1.06 0.34 -1.11 0.00 0.00 175.55 175.20 1bxr s ASP 198 N 1.60 6.26 -0.24 2.29 2.15 -0.90 -1.70 116.67 126.12 1bxr s ASP 198 Ca 0.36 -0.51 0.14 0.00 0.43 0.00 0.00 52.55 52.97 1bxr s ASP 198 Cb -0.14 -2.47 0.67 0.00 -0.30 0.00 0.00 42.92 40.68 1bxr s ASP 198 CO 0.13 -1.46 1.63 0.49 -0.17 0.00 0.00 175.17 175.78 1bxr n PHE 199 N 8.09 1.69 0.00 -5.34 3.72 -1.25 -3.43 117.46 120.94 1bxr n PHE 199 Ca 0.01 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.43 1bxr n PHE 199 Cb 0.47 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1bxr n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bxr n GLY 200 N -0.15 0.68 3.78 1.37 0.00 -1.16 -3.56 105.19 106.14 1bxr n GLY 200 Ca 0.29 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1bxr n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 201 N -1.18 2.66 -0.14 4.61 0.00 -1.23 -3.95 121.76 122.53 1bxr s ALA 201 Ca 0.00 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1bxr s ALA 201 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1bxr s ALA 201 CO 0.00 -0.85 0.42 0.15 0.00 0.00 0.00 175.76 175.48 1bxr s LYS 202 N -3.54 4.30 0.41 0.00 1.02 -1.26 -4.84 119.74 115.82 1bxr s LYS 202 Ca 0.70 0.33 0.20 0.00 0.02 0.00 0.00 55.97 57.23 1bxr s LYS 202 Cb -0.22 -3.45 1.15 0.00 -0.52 0.00 0.00 37.83 34.80 1bxr s LYS 202 CO 0.31 0.15 1.76 0.00 -0.92 0.00 0.00 175.35 176.65 1bxr h ARG 203 N 6.80 0.34 -0.09 1.68 3.08 -1.57 0.60 114.38 125.21 1bxr h ARG 203 Ca -0.40 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 1bxr h ARG 203 Cb 1.17 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1bxr h ARG 203 CO 0.75 0.22 -0.25 -0.97 -1.07 0.00 0.00 179.97 178.65 1bxr h ASN 204 N 0.35 0.15 -0.41 7.04 -1.24 -1.93 0.36 115.58 119.90 1bxr h ASN 204 Ca 0.61 -0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.60 1bxr h ASN 204 Cb 1.62 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.60 1bxr h ASN 204 CO -0.29 0.41 0.21 0.40 -1.29 0.00 0.00 177.43 176.87 1bxr h ILE 205 N 0.14 0.98 -0.23 2.57 2.04 -1.21 0.30 117.51 122.10 1bxr h ILE 205 Ca 0.02 -0.14 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 1bxr h ILE 205 Cb 0.53 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1bxr h ILE 205 CO 0.04 0.08 -0.59 -0.07 0.00 0.00 0.00 178.15 177.60 1bxr h LEU 206 N 0.42 0.92 -1.11 1.44 3.38 -1.47 -1.99 115.31 116.90 1bxr h LEU 206 Ca 0.17 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1bxr h LEU 206 Cb 0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1bxr h LEU 206 CO -0.12 1.32 0.60 0.03 0.09 0.00 0.00 178.44 180.37 1bxr h ARG 207 N 0.56 1.14 0.00 1.13 3.08 -0.61 0.39 114.38 120.07 1bxr h ARG 207 Ca -0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1bxr h ARG 207 Cb 1.21 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1bxr h ARG 207 CO 0.13 0.75 -0.11 0.52 -1.07 0.00 0.00 179.97 180.19 1bxr h MET 208 N 1.17 0.00 0.15 0.04 2.86 -0.29 -0.03 114.93 118.83 1bxr h MET 208 Ca 0.36 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.76 1bxr h MET 208 Cb -0.02 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.66 1bxr h MET 208 CO -0.10 0.11 -1.10 -0.07 1.06 0.00 0.00 176.91 176.80 1bxr h LEU 209 N 0.00 0.50 -1.62 1.22 3.38 -0.29 -3.17 115.31 115.32 1bxr h LEU 209 Ca -0.00 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.06 1bxr h LEU 209 Cb 0.65 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1bxr h LEU 209 CO 0.01 1.51 0.27 0.58 0.09 0.00 0.00 178.44 180.90 1bxr h VAL 210 N -0.28 1.08 0.00 1.22 2.07 -0.00 0.86 116.25 121.20 1bxr h VAL 210 Ca -0.21 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1bxr h VAL 210 Cb 1.76 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1bxr h VAL 210 CO 0.14 0.09 -0.06 0.44 0.02 0.00 0.00 177.57 178.20 1bxr h ASP 211 N 0.51 0.00 -0.41 0.57 5.19 -1.04 -1.06 116.42 120.18 1bxr h ASP 211 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1bxr h ASP 211 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1bxr h ASP 211 CO -0.03 0.06 0.00 0.54 -3.12 0.00 0.00 179.24 176.69 1bxr n ARG 212 N -4.34 2.16 -1.80 3.56 1.74 0.27 -4.89 116.66 113.35 1bxr n ARG 212 Ca -0.03 -1.57 -0.01 0.00 -0.77 0.00 0.00 57.85 55.47 1bxr n ARG 212 Cb 0.15 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1bxr n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxr n GLY 213 N 1.07 0.36 3.76 -0.13 0.00 -0.40 -4.97 105.19 104.88 1bxr n GLY 213 Ca 0.14 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1bxr n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ARG 215 N -0.04 3.95 0.08 0.00 3.52 0.59 -4.00 118.95 123.05 1bxr s ARG 215 Ca 0.10 0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 1bxr s ARG 215 Cb -0.11 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1bxr s ARG 215 CO -0.00 0.50 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.36 1bxr s LEU 216 N -0.30 2.97 -0.21 -0.88 1.43 -1.01 0.40 118.68 121.07 1bxr s LEU 216 Ca 0.17 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1bxr s LEU 216 Cb -0.13 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1bxr s LEU 216 CO 0.05 0.20 0.03 -0.89 0.23 0.00 0.00 176.35 175.98 1bxr s THR 217 N -1.14 0.65 0.01 5.49 2.01 0.01 -1.23 115.64 121.45 1bxr s THR 217 Ca 0.20 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1bxr s THR 217 Cb -0.11 -1.17 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1bxr s THR 217 CO 0.11 -0.26 0.58 -0.63 -0.69 0.00 0.00 174.62 173.73 1bxr s ILE 218 N 1.79 4.88 0.14 1.82 -1.09 0.45 -0.77 121.20 128.43 1bxr s ILE 218 Ca -0.00 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.69 1bxr s ILE 218 Cb -0.17 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1bxr s ILE 218 CO -0.10 0.46 -0.15 0.68 -1.23 0.00 0.00 174.94 174.60 1bxr s VAL 219 N -0.44 1.48 0.66 2.92 -7.23 -0.19 -0.13 120.40 117.48 1bxr s VAL 219 Ca 0.30 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 1bxr s VAL 219 Cb -0.18 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 1bxr s VAL 219 CO 0.17 -0.44 1.29 -2.84 -0.31 0.00 0.00 175.10 172.97 1bxr s PRO 220 N -2.91 2.47 0.30 4.82 0.02 -1.26 -2.12 135.00 136.33 1bxr s PRO 220 Ca 0.13 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1bxr s PRO 220 Cb -0.04 -1.84 0.66 0.00 0.02 0.00 0.00 34.50 33.31 1bxr s PRO 220 CO 0.04 -1.66 1.82 0.00 -0.33 0.00 0.00 177.00 176.88 1bxr h ALA 221 N 0.44 1.63 -0.19 -1.55 0.00 -1.82 -2.32 119.26 115.45 1bxr h ALA 221 Ca -0.51 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1bxr h ALA 221 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1bxr h ALA 221 CO 0.53 0.08 0.01 1.04 0.00 0.00 0.00 179.25 180.91 1bxr n GLN 222 N -4.65 2.17 -2.28 0.00 6.02 -1.26 -4.61 117.38 112.76 1bxr n GLN 222 Ca 0.20 -0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 55.79 1bxr n GLN 222 Cb 0.44 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1bxr n GLN 222 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bxr s THR 223 N -1.52 3.70 0.52 5.09 2.01 -0.87 -4.98 115.64 119.59 1bxr s THR 223 Ca 0.17 1.18 -0.22 0.00 0.31 0.00 0.00 61.69 63.13 1bxr s THR 223 Cb 0.13 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1bxr s THR 223 CO 0.05 0.06 1.32 -0.94 -0.69 0.00 0.00 174.62 174.42 1bxr s SER 224 N 1.33 5.53 0.17 3.53 1.04 -1.26 -4.89 113.70 119.14 1bxr s SER 224 Ca 0.62 2.68 -0.15 0.00 0.48 0.00 0.00 55.95 59.58 1bxr s SER 224 Cb -0.32 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.21 1bxr s SER 224 CO 0.28 -1.39 1.82 0.00 0.98 0.00 0.00 173.24 174.94 1bxr h ALA 225 N 1.67 0.61 -0.06 5.32 0.00 -1.93 -0.47 119.26 124.41 1bxr h ALA 225 Ca -0.51 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1bxr h ALA 225 Cb 1.29 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1bxr h ALA 225 CO 0.58 0.07 -0.28 0.93 0.00 0.00 0.00 179.25 180.55 1bxr h GLU 226 N 0.65 -0.38 -0.88 0.00 3.07 -1.95 0.44 114.58 115.54 1bxr h GLU 226 Ca 0.18 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.20 1bxr h GLU 226 Cb -0.06 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.84 1bxr h GLU 226 CO -0.04 -0.25 0.49 -0.44 -1.40 0.00 0.00 179.01 177.37 1bxr h ASP 227 N -0.39 0.64 -0.24 1.42 3.32 -1.83 -2.21 116.42 117.13 1bxr h ASP 227 Ca 0.08 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1bxr h ASP 227 Cb 0.50 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1bxr h ASP 227 CO -0.28 0.30 -0.04 0.58 -1.72 0.00 0.00 179.24 178.08 1bxr h VAL 228 N 0.73 1.28 -0.74 -1.35 2.07 0.34 -3.23 116.25 115.34 1bxr h VAL 228 Ca 0.46 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1bxr h VAL 228 Cb 0.58 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1bxr h VAL 228 CO -0.32 0.32 0.44 -0.07 0.02 0.00 0.00 177.57 177.96 1bxr h LEU 229 N 0.21 0.69 -0.51 2.57 3.38 0.39 -1.82 115.31 120.22 1bxr h LEU 229 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bxr h LEU 229 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bxr h LEU 229 CO 0.02 0.45 0.26 0.29 0.09 0.00 0.00 178.44 179.55 1bxr n LYS 230 N -4.70 0.05 0.00 1.13 5.02 -0.89 -0.41 118.16 118.36 1bxr n LYS 230 Ca 0.10 0.46 0.11 0.00 -2.02 0.00 0.00 58.31 56.95 1bxr n LYS 230 Cb 0.15 -1.93 0.05 0.00 -0.02 0.00 0.00 35.03 33.29 1bxr n LYS 230 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1bxr n MET 231 N -1.74 0.25 -3.42 1.97 0.00 -0.68 -4.99 117.12 108.52 1bxr n MET 231 Ca -0.01 -0.19 -0.18 0.00 0.00 0.00 0.00 57.70 57.32 1bxr n MET 231 Cb 0.27 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 32.07 1bxr n MET 231 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1bxr n ASN 232 N -1.21 -3.49 -4.52 7.83 4.13 0.45 -4.94 115.26 113.51 1bxr n ASN 232 Ca 0.06 -0.56 -0.38 0.00 1.68 0.00 0.00 54.58 55.38 1bxr n ASN 232 Cb 0.35 -4.85 0.05 0.00 -1.54 0.00 0.00 39.78 33.80 1bxr n ASN 232 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1bxr n PRO 233 N -4.24 0.60 0.15 3.52 -0.04 -1.26 -4.88 135.00 128.85 1bxr n PRO 233 Ca -0.17 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1bxr n PRO 233 Cb 0.62 -1.90 0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1bxr n PRO 233 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bxr h ASP 234 N 0.20 0.00 0.00 3.54 3.32 -1.27 -3.48 116.42 118.74 1bxr h ASP 234 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1bxr h ASP 234 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1bxr h ASP 234 CO 0.48 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 1bxr n GLY 235 N 1.17 0.60 3.56 2.75 0.00 -1.24 -4.54 105.19 107.50 1bxr n GLY 235 Ca 0.03 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1bxr n GLY 235 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 236 N -2.00 3.17 -0.03 -0.61 1.01 0.15 -2.66 121.20 120.23 1bxr s ILE 236 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 60.65 59.06 1bxr s ILE 236 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1bxr s ILE 236 CO 0.00 -0.07 -0.07 0.12 0.00 0.00 0.00 174.94 174.93 1bxr s PHE 237 N -1.60 0.77 -0.33 3.97 5.36 0.18 -2.18 117.98 124.16 1bxr s PHE 237 Ca 0.24 -0.19 -0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1bxr s PHE 237 Cb -0.09 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 1bxr s PHE 237 CO 0.15 -0.11 0.11 -0.51 -1.46 0.00 0.00 175.22 173.39 1bxr s LEU 238 N 0.40 4.19 0.81 6.12 1.43 0.20 0.12 118.68 131.95 1bxr s LEU 238 Ca -0.05 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 1bxr s LEU 238 Cb -0.10 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.30 1bxr s LEU 238 CO 0.00 -0.28 1.09 -0.94 0.23 0.00 0.00 176.35 176.46 1bxr s SER 239 N 1.47 4.33 1.10 2.29 1.04 -0.69 -1.97 113.70 121.27 1bxr s SER 239 Ca 0.01 1.41 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 1bxr s SER 239 Cb -0.18 -2.14 0.19 0.00 0.10 0.00 0.00 66.02 63.99 1bxr s SER 239 CO 0.03 -2.08 0.84 -0.46 0.98 0.00 0.00 173.24 172.55 1bxr n ASN 240 N -3.52 -0.99 0.00 7.02 6.94 -1.21 -2.70 115.26 120.81 1bxr n ASN 240 Ca 0.07 -1.13 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1bxr n ASN 240 Cb 0.56 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1bxr n ASN 240 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bxr n GLY 241 N -1.97 1.80 3.77 4.83 0.00 -1.23 -3.01 105.19 109.37 1bxr n GLY 241 Ca 0.11 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1bxr n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bxr s PRO 242 N -2.00 0.22 0.49 1.61 0.04 -1.25 -4.64 135.00 129.46 1bxr s PRO 242 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1bxr s PRO 242 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1bxr s PRO 242 CO 0.00 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1bxr n GLY 243 N -2.33 -0.21 3.70 0.56 0.00 -1.26 -4.08 105.19 101.57 1bxr n GLY 243 Ca 0.12 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1bxr n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bxr s ASP 244 N -4.00 6.54 0.21 1.61 -1.08 -0.15 -4.83 116.67 114.97 1bxr s ASP 244 Ca 0.00 2.63 0.12 0.00 -0.52 0.00 0.00 52.55 54.78 1bxr s ASP 244 Cb 0.00 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1bxr s ASP 244 CO 0.00 -0.90 1.36 1.55 0.52 0.00 0.00 175.17 177.70 1bxr h PRO 245 N 7.66 0.00 -0.03 4.34 0.13 -1.86 -3.38 132.00 138.87 1bxr h PRO 245 Ca -0.43 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1bxr h PRO 245 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1bxr h PRO 245 CO 0.93 0.68 -0.21 0.00 -0.23 0.00 0.00 178.00 179.17 1bxr h ALA 246 N 1.31 -0.25 0.00 -0.56 0.00 -1.94 -2.23 119.26 115.59 1bxr h ALA 246 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 246 Cb 1.54 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1bxr h ALA 246 CO 0.09 -0.70 0.00 -0.35 0.00 0.00 0.00 179.25 178.29 1bxr n PRO 247 N -5.34 0.19 -1.86 0.00 -0.04 -1.26 -4.09 135.00 122.61 1bxr n PRO 247 Ca -0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 1bxr n PRO 247 Cb 0.25 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 1bxr n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr h ASP 249 N 4.85 -0.85 -1.00 0.00 2.03 -1.85 -1.80 116.42 117.79 1bxr h ASP 249 Ca 0.71 0.22 0.13 0.00 -0.73 0.00 0.00 57.03 57.37 1bxr h ASP 249 Cb 0.34 0.50 -0.09 0.00 -0.83 0.00 0.00 39.33 39.25 1bxr h ASP 249 CO 1.58 -0.26 0.63 0.10 -1.03 0.00 0.00 179.24 180.26 1bxr h TYR 250 N -0.05 1.13 0.16 4.15 -0.00 -1.96 0.13 116.97 120.52 1bxr h TYR 250 Ca 0.31 0.03 -0.29 0.00 0.00 0.00 0.00 58.73 58.78 1bxr h TYR 250 Cb 0.54 -0.36 0.01 0.00 0.00 0.00 0.00 36.73 36.93 1bxr h TYR 250 CO -0.61 0.41 -1.32 0.00 -0.00 0.00 0.00 178.16 176.64 1bxr h ALA 251 N 1.56 0.04 0.17 0.10 0.00 -1.62 -2.77 119.26 116.75 1bxr h ALA 251 Ca 0.51 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1bxr h ALA 251 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bxr h ALA 251 CO -0.29 0.92 -0.08 0.82 0.00 0.00 0.00 179.25 180.62 1bxr h ILE 252 N 0.09 0.90 -0.14 0.00 2.04 -0.51 -1.19 117.51 118.70 1bxr h ILE 252 Ca -0.17 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1bxr h ILE 252 Cb 2.02 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 1bxr h ILE 252 CO 0.22 0.08 -0.45 0.74 0.00 0.00 0.00 178.15 178.74 1bxr h THR 253 N -0.39 0.11 -0.46 -0.27 2.02 -0.90 -0.21 112.91 112.80 1bxr h THR 253 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1bxr h THR 253 Cb 0.30 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.73 1bxr h THR 253 CO 0.04 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.76 1bxr h ALA 254 N 0.03 0.22 -0.51 6.16 0.00 -1.44 -1.01 119.26 122.71 1bxr h ALA 254 Ca 0.07 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.25 1bxr h ALA 254 Cb 0.64 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1bxr h ALA 254 CO -0.41 -0.50 -0.13 0.82 0.00 0.00 0.00 179.25 179.03 1bxr h ILE 255 N -0.06 0.49 -1.00 0.00 2.04 -0.40 0.42 117.51 119.00 1bxr h ILE 255 Ca 0.22 -0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.28 1bxr h ILE 255 Cb 0.40 0.49 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 1bxr h ILE 255 CO -0.51 0.00 0.61 1.56 0.00 0.00 0.00 178.15 179.82 1bxr h GLN 256 N 0.00 0.67 0.81 2.37 4.20 0.26 -0.11 115.11 123.31 1bxr h GLN 256 Ca 0.24 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1bxr h GLN 256 Cb 0.37 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1bxr h GLN 256 CO -0.52 0.44 -0.39 0.87 -0.67 0.00 0.00 178.83 178.55 1bxr h LYS 257 N 0.69 -1.05 -1.00 1.46 6.56 0.38 -2.82 116.57 120.78 1bxr h LYS 257 Ca 0.57 0.07 0.21 0.00 -1.06 0.00 0.00 60.65 60.45 1bxr h LYS 257 Cb 1.00 0.24 -0.11 0.00 -0.57 0.00 0.00 32.23 32.79 1bxr h LYS 257 CO -0.36 -0.70 0.61 0.74 -2.06 0.00 0.00 179.45 177.68 1bxr h PHE 258 N -1.09 0.97 0.00 -1.35 0.04 0.01 0.42 116.94 115.94 1bxr h PHE 258 Ca -0.11 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1bxr h PHE 258 Cb 0.84 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1bxr h PHE 258 CO -0.02 0.17 0.00 1.28 -0.60 0.00 0.00 178.31 179.14 1bxr n LEU 259 N -4.76 0.19 0.00 1.54 4.77 -0.38 -0.92 117.00 117.45 1bxr n LEU 259 Ca 0.24 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.91 1bxr n LEU 259 Cb 0.66 -0.54 0.38 0.00 -2.33 0.00 0.00 43.42 41.59 1bxr n LEU 259 CO 0.21 -0.43 0.64 -0.62 -1.33 0.00 0.00 177.39 175.87 1bxr n GLU 260 N -1.72 0.01 -1.75 3.23 1.02 0.15 -4.81 120.64 116.76 1bxr n GLU 260 Ca 0.02 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1bxr n GLU 260 Cb 0.14 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1bxr n GLU 260 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bxr n THR 261 N -1.53 0.00 -0.75 2.62 -2.24 -0.09 -5.03 114.28 107.25 1bxr n THR 261 Ca 0.06 -0.69 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1bxr n THR 261 Cb 0.34 -0.79 0.24 0.00 -2.10 0.00 0.00 70.33 68.02 1bxr n THR 261 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bxr n ASP 262 N -2.70 3.74 -4.79 3.42 8.00 -1.26 -4.92 116.55 118.05 1bxr n ASP 262 Ca 0.05 -2.72 -0.36 0.00 0.71 0.00 0.00 54.79 52.48 1bxr n ASP 262 Cb 0.21 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 1bxr n ASP 262 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bxr s ILE 263 N -2.29 3.75 0.16 0.53 1.01 -1.26 -4.87 121.20 118.22 1bxr s ILE 263 Ca 0.38 1.27 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 1bxr s ILE 263 Cb 0.28 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1bxr s ILE 263 CO 0.12 -0.06 0.93 -2.84 0.00 0.00 0.00 174.94 173.09 1bxr s PRO 264 N -2.68 4.74 -0.01 2.79 0.02 -1.26 -4.69 135.00 133.90 1bxr s PRO 264 Ca 0.60 1.42 0.05 0.00 0.02 0.00 0.00 61.00 63.09 1bxr s PRO 264 Cb -0.20 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 30.97 1bxr s PRO 264 CO 0.25 0.35 -0.18 0.08 -0.33 0.00 0.00 177.00 177.18 1bxr s VAL 265 N -0.51 1.39 -0.03 3.83 1.01 -0.43 -0.67 120.40 125.00 1bxr s VAL 265 Ca 0.43 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1bxr s VAL 265 Cb -0.24 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1bxr s VAL 265 CO 0.30 0.39 0.05 0.12 0.00 0.00 0.00 175.10 175.95 1bxr s PHE 266 N -0.43 -0.00 0.11 5.22 5.36 -0.93 -2.28 117.98 125.04 1bxr s PHE 266 Ca 0.07 0.17 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 1bxr s PHE 266 Cb -0.07 -0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.37 1bxr s PHE 266 CO -0.01 -0.10 -0.16 0.20 -1.46 0.00 0.00 175.22 173.70 1bxr s GLY 267 N 1.03 1.09 -0.06 13.12 0.00 -0.93 -0.63 107.32 120.95 1bxr s GLY 267 Ca -0.08 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1bxr s GLY 267 CO -0.03 -1.26 -0.08 -0.42 0.00 0.00 0.00 173.10 171.31 1bxr s ILE 268 N -1.65 0.82 0.00 0.90 1.01 -0.83 -1.43 121.20 120.01 1bxr s ILE 268 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1bxr s ILE 268 Cb -0.08 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1bxr s ILE 268 CO 0.04 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.27 1bxr h LEU 270 N 0.00 0.58 -0.57 0.00 5.85 -1.82 0.13 115.31 119.47 1bxr h LEU 270 Ca 0.00 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1bxr h LEU 270 Cb 0.00 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1bxr h LEU 270 CO 0.00 0.24 0.23 1.23 -0.34 0.00 0.00 178.44 179.80 1bxr h GLY 271 N 0.66 0.79 0.91 3.75 0.00 -1.12 0.17 103.07 108.23 1bxr h GLY 271 Ca 0.48 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.71 1bxr h GLY 271 CO -0.36 0.02 0.65 0.84 0.00 0.00 0.00 176.54 177.68 1bxr h HIS 272 N 0.43 1.22 -0.23 5.60 -0.00 -0.91 -1.30 115.15 119.96 1bxr h HIS 272 Ca 0.28 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.49 1bxr h HIS 272 Cb 0.30 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1bxr h HIS 272 CO -0.15 0.72 -0.58 1.96 -0.00 0.00 0.00 177.93 179.88 1bxr h GLN 273 N 1.27 0.80 -0.56 5.26 4.20 0.01 -1.69 115.11 124.39 1bxr h GLN 273 Ca 0.39 -0.55 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 1bxr h GLN 273 Cb -0.04 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1bxr h GLN 273 CO -0.11 1.18 0.14 -0.07 -0.67 0.00 0.00 178.83 179.29 1bxr h LEU 274 N 0.54 0.85 -1.06 1.46 3.38 -0.49 0.03 115.31 120.03 1bxr h LEU 274 Ca -0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1bxr h LEU 274 Cb 1.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1bxr h LEU 274 CO 0.13 0.87 0.05 0.25 0.09 0.00 0.00 178.44 179.82 1bxr h LEU 275 N 0.80 0.68 -0.28 1.67 5.85 -1.25 0.22 115.31 123.00 1bxr h LEU 275 Ca 0.18 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1bxr h LEU 275 Cb 0.35 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1bxr h LEU 275 CO 0.00 0.72 -0.31 0.00 -0.34 0.00 0.00 178.44 178.51 1bxr h ALA 276 N 1.37 0.42 -0.06 1.25 0.00 -0.50 -2.76 119.26 118.98 1bxr h ALA 276 Ca 0.14 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1bxr h ALA 276 Cb 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1bxr h ALA 276 CO 0.01 0.45 -0.16 -0.07 0.00 0.00 0.00 179.25 179.48 1bxr h LEU 277 N 0.45 -0.49 -0.60 0.00 3.38 -0.65 0.54 115.31 117.94 1bxr h LEU 277 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1bxr h LEU 277 Cb 0.88 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1bxr h LEU 277 CO 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.39 1bxr n ALA 278 N -2.54 1.23 -0.20 1.53 0.00 0.75 -0.38 120.51 120.91 1bxr n ALA 278 Ca -0.04 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1bxr n ALA 278 Cb 0.22 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.71 1bxr n ALA 278 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bxr n SER 279 N -1.88 3.53 0.00 0.00 7.64 0.05 -4.68 113.62 118.29 1bxr n SER 279 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1bxr n SER 279 Cb 0.08 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1bxr n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxr n GLY 280 N 1.27 0.65 3.99 0.23 0.00 0.49 -4.69 105.19 107.13 1bxr n GLY 280 Ca 0.20 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1bxr n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 281 N -2.00 4.17 0.16 4.61 0.00 -0.44 -4.60 121.76 123.67 1bxr s ALA 281 Ca 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1bxr s ALA 281 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1bxr s ALA 281 CO 0.00 -0.02 0.14 0.15 0.00 0.00 0.00 175.76 176.04 1bxr s LYS 282 N -4.17 2.91 0.07 0.00 -0.14 -1.26 -4.21 119.74 112.95 1bxr s LYS 282 Ca 0.44 -0.86 0.09 0.00 -1.36 0.00 0.00 55.97 54.27 1bxr s LYS 282 Cb -0.09 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1bxr s LYS 282 CO 0.31 0.49 -0.23 0.95 -0.76 0.00 0.00 175.35 176.10 1bxr s THR 283 N -1.75 1.90 0.06 2.17 -4.23 -1.26 -0.34 115.64 112.19 1bxr s THR 283 Ca 0.31 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 1bxr s THR 283 Cb -0.10 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1bxr s THR 283 CO 0.23 0.18 -0.09 0.68 -0.54 0.00 0.00 174.62 175.08 1bxr s VAL 284 N -0.91 0.72 -0.10 2.29 -7.23 0.08 -4.91 120.40 110.34 1bxr s VAL 284 Ca 0.09 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 58.76 1bxr s VAL 284 Cb -0.10 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1bxr s VAL 284 CO 0.03 -0.42 0.68 -0.75 -0.31 0.00 0.00 175.10 174.33 1bxr s LYS 285 N -1.98 4.39 0.86 4.82 2.20 -1.26 0.51 119.74 129.28 1bxr s LYS 285 Ca -0.04 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 1bxr s LYS 285 Cb -0.08 -3.47 0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1bxr s LYS 285 CO 0.00 0.00 1.10 -1.64 -0.36 0.00 0.00 175.35 174.45 1bxr s MET 286 N 1.04 1.51 0.07 4.03 -1.94 0.26 -4.90 119.30 119.37 1bxr s MET 286 Ca 0.35 1.05 -0.30 0.00 -1.71 0.00 0.00 55.69 55.08 1bxr s MET 286 Cb -0.17 -1.82 -0.18 0.00 2.01 0.00 0.00 34.83 34.67 1bxr s MET 286 CO 0.16 -2.13 1.62 -0.22 -0.01 0.00 0.00 175.02 174.44 1bxr h LYS 287 N -1.48 -0.67 0.00 2.03 3.64 -1.97 -3.39 116.57 114.73 1bxr h LYS 287 Ca -0.47 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1bxr h LYS 287 Cb 1.26 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1bxr h LYS 287 CO 0.51 -0.43 0.00 1.97 -2.27 0.00 0.00 179.45 179.23 1bxr n PHE 288 N -5.38 0.00 -2.97 1.91 1.16 -1.26 -2.26 117.46 108.66 1bxr n PHE 288 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 1bxr n PHE 288 Cb 0.30 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 1bxr n PHE 288 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1bxr n GLY 289 N 0.35 -1.97 2.89 4.97 0.00 -1.26 -4.86 105.19 105.31 1bxr n GLY 289 Ca 0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1bxr n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bxr s HIS 290 N 0.00 1.34 -0.21 1.61 0.09 0.27 -4.97 115.29 113.42 1bxr s HIS 290 Ca 0.00 -0.63 -0.04 0.00 -0.00 0.00 0.00 55.06 54.39 1bxr s HIS 290 Cb 0.00 -1.15 0.10 0.00 -0.00 0.00 0.00 32.58 31.53 1bxr s HIS 290 CO 0.00 -0.47 0.23 -1.01 -0.00 0.00 0.00 174.74 173.49 1bxr s HIS 291 N 1.67 -0.28 -2.90 1.40 3.76 -1.26 -0.17 115.29 117.51 1bxr s HIS 291 Ca 0.04 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1bxr s HIS 291 Cb -0.13 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.19 1bxr s HIS 291 CO -0.07 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 173.60 1bxr n GLY 292 N 5.32 -1.78 0.82 -2.22 0.00 -1.02 -2.00 105.19 104.31 1bxr n GLY 292 Ca -0.05 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.89 1bxr n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 293 N -0.31 2.87 0.26 -0.02 0.00 -1.26 -2.14 105.19 104.59 1bxr n GLY 293 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.17 1bxr n GLY 293 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bxr n ASN 294 N -0.41 1.28 -4.63 1.61 6.94 -1.21 -4.47 115.26 114.37 1bxr n ASN 294 Ca 0.11 -2.56 -0.43 0.00 -0.02 0.00 0.00 54.58 51.68 1bxr n ASN 294 Cb 0.85 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.93 1bxr n ASN 294 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1bxr s HIS 295 N -1.54 2.43 -0.06 -2.53 2.46 -0.97 -4.71 115.29 110.36 1bxr s HIS 295 Ca 0.17 0.73 -0.30 0.00 0.47 0.00 0.00 55.06 56.13 1bxr s HIS 295 Cb 0.15 -3.99 -0.02 0.00 -0.13 0.00 0.00 32.58 28.59 1bxr s HIS 295 CO 0.02 -2.20 1.09 -1.25 -2.47 0.00 0.00 174.74 169.93 1bxr s PRO 296 N 4.47 4.41 -0.08 2.88 0.04 -1.26 0.65 135.00 146.12 1bxr s PRO 296 Ca 0.63 1.53 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1bxr s PRO 296 Cb -0.19 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1bxr s PRO 296 CO 0.27 -0.34 -0.16 0.08 0.04 0.00 0.00 177.00 176.89 1bxr s VAL 297 N 1.92 1.43 -0.07 -0.36 1.01 -0.17 -0.35 120.40 123.81 1bxr s VAL 297 Ca 0.52 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1bxr s VAL 297 Cb -0.22 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1bxr s VAL 297 CO 0.21 0.42 0.31 -0.75 0.00 0.00 0.00 175.10 175.29 1bxr s LYS 298 N 0.61 3.86 -1.03 2.72 2.20 0.29 -1.48 119.74 126.91 1bxr s LYS 298 Ca -0.15 0.19 -0.14 0.00 -0.36 0.00 0.00 55.97 55.51 1bxr s LYS 298 Cb -0.16 -3.26 0.19 0.00 -1.51 0.00 0.00 37.83 33.09 1bxr s LYS 298 CO 0.05 0.61 1.14 0.34 -0.36 0.00 0.00 175.35 177.13 1bxr s ASP 299 N -0.70 6.93 0.52 1.43 -1.08 0.72 -2.07 116.67 122.43 1bxr s ASP 299 Ca 0.20 -2.78 0.27 0.00 -0.52 0.00 0.00 52.55 49.72 1bxr s ASP 299 Cb -0.15 -2.32 1.40 0.00 -1.46 0.00 0.00 42.92 40.39 1bxr s ASP 299 CO 0.09 -0.71 1.93 -0.37 0.52 0.00 0.00 175.17 176.63 1bxr h VAL 300 N 4.82 0.64 0.06 1.11 -1.51 -1.81 1.63 116.25 121.20 1bxr h VAL 300 Ca 0.20 -0.02 -0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1bxr h VAL 300 Cb 0.95 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1bxr h VAL 300 CO 1.05 0.01 -0.03 -0.33 -1.23 0.00 0.00 177.57 177.04 1bxr h GLU 301 N 0.05 -0.08 -0.01 5.19 5.08 -1.90 -3.21 114.58 119.70 1bxr h GLU 301 Ca 0.36 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1bxr h GLU 301 Cb 1.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1bxr h GLU 301 CO -0.02 0.10 -0.44 1.63 -1.00 0.00 0.00 179.01 179.27 1bxr n LYS 302 N -5.05 0.97 -3.61 2.33 5.02 -0.39 -4.99 118.16 112.44 1bxr n LYS 302 Ca -0.08 -0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 55.26 1bxr n LYS 302 Cb 0.13 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1bxr n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bxr n ASN 303 N -0.37 -2.77 -4.13 4.39 5.15 0.54 -5.01 115.26 113.06 1bxr n ASN 303 Ca 0.10 -0.83 -0.17 0.00 -0.60 0.00 0.00 54.58 53.08 1bxr n ASN 303 Cb 0.42 -4.17 -0.12 0.00 -0.53 0.00 0.00 39.78 35.38 1bxr n ASN 303 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bxr s VAL 304 N -3.57 0.96 0.06 3.44 -7.23 -1.17 -4.97 120.40 107.91 1bxr s VAL 304 Ca 0.16 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1bxr s VAL 304 Cb -0.04 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1bxr s VAL 304 CO 0.81 -0.21 0.01 -0.69 -0.31 0.00 0.00 175.10 174.71 1bxr s VAL 305 N -1.19 4.13 0.01 1.32 1.01 -1.26 -0.20 120.40 124.22 1bxr s VAL 305 Ca -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1bxr s VAL 305 Cb -0.09 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1bxr s VAL 305 CO 0.02 0.20 -0.10 -0.04 0.00 0.00 0.00 175.10 175.18 1bxr s MET 306 N -2.09 0.73 -0.14 2.72 1.00 -0.55 -4.98 119.30 115.99 1bxr s MET 306 Ca 0.24 -0.47 -0.22 0.00 0.00 0.00 0.00 55.69 55.24 1bxr s MET 306 Cb -0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 34.83 34.00 1bxr s MET 306 CO 0.16 0.18 0.67 0.42 0.00 0.00 0.00 175.02 176.45 1bxr s ILE 307 N -0.51 5.03 0.29 2.53 -1.09 -1.26 -1.00 121.20 125.19 1bxr s ILE 307 Ca 0.01 1.32 0.09 0.00 -2.23 0.00 0.00 60.65 59.84 1bxr s ILE 307 Cb -0.05 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.78 1bxr s ILE 307 CO 0.00 0.17 -0.11 0.42 -1.23 0.00 0.00 174.94 174.19 1bxr s THR 308 N 1.42 1.99 -0.25 2.92 -4.23 0.21 -4.24 115.64 113.46 1bxr s THR 308 Ca 0.33 -2.22 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1bxr s THR 308 Cb -0.16 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1bxr s THR 308 CO 0.13 -0.33 0.49 0.00 -0.54 0.00 0.00 174.62 174.37 1bxr s ALA 309 N -2.79 3.58 0.08 3.99 0.00 -1.26 -2.28 121.76 123.07 1bxr s ALA 309 Ca 0.29 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1bxr s ALA 309 Cb 0.01 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1bxr s ALA 309 CO 0.13 -0.65 -0.16 -0.65 0.00 0.00 0.00 175.76 174.43 1bxr s GLN 310 N 2.10 0.91 -0.44 0.00 -1.52 -0.91 0.12 119.66 119.92 1bxr s GLN 310 Ca 0.21 -1.02 0.01 0.00 -1.95 0.00 0.00 55.36 52.61 1bxr s GLN 310 Cb -0.16 -0.99 0.21 0.00 -0.22 0.00 0.00 33.01 31.86 1bxr s GLN 310 CO 0.09 0.22 0.91 -1.71 -0.25 0.00 0.00 175.29 174.56 1bxr n ASN 311 N 1.20 -2.55 -3.76 5.90 5.15 -0.88 -2.44 115.26 117.88 1bxr n ASN 311 Ca -0.21 -2.20 -0.13 0.00 -0.60 0.00 0.00 54.58 51.44 1bxr n ASN 311 Cb 0.54 1.34 -0.10 0.00 -0.53 0.00 0.00 39.78 41.03 1bxr n ASN 311 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1bxr s HIS 312 N 0.83 -0.30 -0.08 1.20 -3.43 0.77 -4.97 115.29 109.30 1bxr s HIS 312 Ca 0.28 0.67 0.02 0.00 -0.80 0.00 0.00 55.06 55.23 1bxr s HIS 312 Cb 0.09 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.33 1bxr s HIS 312 CO -0.09 -0.27 0.09 0.41 -2.00 0.00 0.00 174.74 172.88 1bxr n GLY 313 N 2.25 0.56 3.51 -1.38 0.00 -1.26 0.97 105.19 109.84 1bxr n GLY 313 Ca -0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1bxr n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 314 N -1.46 2.59 0.05 1.61 0.40 -1.26 0.92 117.98 120.83 1bxr s PHE 314 Ca 0.00 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1bxr s PHE 314 Cb 0.02 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1bxr s PHE 314 CO 0.10 0.40 0.03 0.00 0.70 0.00 0.00 175.22 176.45 1bxr s ALA 315 N -1.17 0.22 -0.07 5.36 0.00 0.18 -4.84 121.76 121.44 1bxr s ALA 315 Ca 0.19 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 1bxr s ALA 315 Cb -0.11 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1bxr s ALA 315 CO 0.11 -0.35 0.72 0.08 0.00 0.00 0.00 175.76 176.32 1bxr s VAL 316 N -3.31 5.03 -0.34 0.00 1.01 -1.26 -0.74 120.40 120.79 1bxr s VAL 316 Ca 0.01 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 1bxr s VAL 316 Cb 0.03 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1bxr s VAL 316 CO -0.08 0.23 1.27 -0.62 0.00 0.00 0.00 175.10 175.91 1bxr s ASP 317 N 0.84 6.65 0.12 3.32 2.15 0.54 -4.45 116.67 125.84 1bxr s ASP 317 Ca 0.38 1.06 -0.18 0.00 0.43 0.00 0.00 52.55 54.24 1bxr s ASP 317 Cb -0.18 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 1bxr s ASP 317 CO 0.18 -1.12 1.71 -0.08 -0.17 0.00 0.00 175.17 175.68 1bxr h GLU 318 N 9.34 0.43 -0.83 4.34 4.81 -1.95 -2.96 114.58 127.76 1bxr h GLU 318 Ca -0.25 -0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1bxr h GLU 318 Cb 1.09 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 1bxr h GLU 318 CO 1.05 0.39 0.54 0.00 -0.73 0.00 0.00 179.01 180.27 1bxr h ALA 319 N 1.02 1.95 -0.07 2.92 0.00 -1.98 -1.29 119.26 121.81 1bxr h ALA 319 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bxr h ALA 319 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bxr h ALA 319 CO -0.01 -0.17 0.00 0.25 0.00 0.00 0.00 179.25 179.31 1bxr n THR 320 N -4.52 0.07 -1.71 0.00 -2.24 -1.13 -4.94 114.28 99.81 1bxr n THR 320 Ca 0.16 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1bxr n THR 320 Cb 0.49 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1bxr n THR 320 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bxr n LEU 321 N 0.26 3.89 -4.78 3.22 7.94 -0.49 -4.53 117.00 122.51 1bxr n LEU 321 Ca 0.18 1.08 -0.37 0.00 -1.11 0.00 0.00 56.01 55.80 1bxr n LEU 321 Cb 0.35 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.73 1bxr n LEU 321 CO 0.15 0.07 0.77 -2.16 -1.11 0.00 0.00 177.39 175.12 1bxr s PRO 322 N 0.73 4.05 0.63 1.96 0.04 -1.26 -4.93 135.00 136.22 1bxr s PRO 322 Ca 0.73 1.62 0.37 0.00 0.04 0.00 0.00 61.00 63.77 1bxr s PRO 322 Cb -0.54 -2.53 2.11 0.00 0.04 0.00 0.00 34.50 33.58 1bxr s PRO 322 CO 0.37 -0.26 2.28 0.00 0.04 0.00 0.00 177.00 179.43 1bxr h ALA 323 N 2.42 1.28 -0.00 8.56 0.00 -1.93 0.25 119.26 129.84 1bxr h ALA 323 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bxr h ALA 323 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bxr h ALA 323 CO 0.62 -0.05 -0.00 0.27 0.00 0.00 0.00 179.25 180.09 1bxr n ASN 324 N -3.40 0.08 -4.22 0.00 2.04 -1.26 -4.64 115.26 103.86 1bxr n ASN 324 Ca -0.02 -0.91 -0.34 0.00 -0.44 0.00 0.00 54.58 52.87 1bxr n ASN 324 Cb 0.12 -0.04 -0.15 0.00 -2.53 0.00 0.00 39.78 37.18 1bxr n ASN 324 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1bxr s LEU 325 N -2.08 2.57 0.01 -4.53 1.43 0.08 0.93 118.68 117.08 1bxr s LEU 325 Ca 0.45 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1bxr s LEU 325 Cb 0.22 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1bxr s LEU 325 CO 0.38 -0.02 -0.09 0.00 0.23 0.00 0.00 176.35 176.85 1bxr s ARG 326 N 1.39 2.47 0.03 1.70 1.70 0.70 -4.71 118.95 122.22 1bxr s ARG 326 Ca 0.05 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 1bxr s ARG 326 Cb -0.14 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 31.75 1bxr s ARG 326 CO -0.08 0.59 1.19 0.08 -1.08 0.00 0.00 175.30 176.01 1bxr s VAL 327 N -0.96 4.14 -0.04 4.99 1.01 -1.26 -0.07 120.40 128.20 1bxr s VAL 327 Ca 0.16 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.76 1bxr s VAL 327 Cb -0.11 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 1bxr s VAL 327 CO 0.07 0.09 0.17 0.35 0.00 0.00 0.00 175.10 175.77 1bxr n THR 328 N 4.10 0.23 -3.79 3.92 -2.24 0.15 -4.89 114.28 111.76 1bxr n THR 328 Ca 0.09 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1bxr n THR 328 Cb 0.47 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 1bxr n THR 328 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1bxr s HIS 329 N -2.58 -0.13 -0.05 4.78 3.76 -0.99 -2.96 115.29 117.12 1bxr s HIS 329 Ca -0.04 0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 1bxr s HIS 329 Cb 0.06 0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.82 1bxr s HIS 329 CO 0.44 -0.36 0.14 0.15 -0.85 0.00 0.00 174.74 174.26 1bxr s LYS 330 N -1.28 0.19 0.43 1.40 1.02 -0.88 -0.14 119.74 120.49 1bxr s LYS 330 Ca -0.13 0.14 -0.26 0.00 0.02 0.00 0.00 55.97 55.74 1bxr s LYS 330 Cb -0.06 0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.26 1bxr s LYS 330 CO 0.03 -0.03 1.38 0.45 -0.92 0.00 0.00 175.35 176.27 1bxr s SER 331 N -0.06 6.07 0.08 2.83 0.15 -0.16 -0.55 113.70 122.07 1bxr s SER 331 Ca -0.01 2.82 0.23 0.00 0.70 0.00 0.00 55.95 59.69 1bxr s SER 331 Cb -0.02 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1bxr s SER 331 CO 0.00 -1.03 0.94 0.18 1.20 0.00 0.00 173.24 174.53 1bxr n LEU 332 N -0.03 0.57 -0.03 3.45 4.32 0.52 -1.40 117.00 124.40 1bxr n LEU 332 Ca 0.04 0.09 -0.14 0.00 -0.02 0.00 0.00 56.01 55.98 1bxr n LEU 332 Cb 0.42 -0.07 -0.11 0.00 -1.62 0.00 0.00 43.42 42.04 1bxr n LEU 332 CO 0.58 -0.03 0.47 -0.26 -1.22 0.00 0.00 177.39 176.92 1bxr h PHE 333 N 0.00 0.15 0.00 -1.77 0.04 -1.91 -3.42 116.94 110.03 1bxr h PHE 333 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1bxr h PHE 333 Cb 0.86 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1bxr h PHE 333 CO 0.00 0.82 0.00 -0.40 -0.60 0.00 0.00 178.31 178.13 1bxr n ASP 334 N -4.62 0.09 0.00 2.17 5.68 -1.26 -5.03 116.55 113.58 1bxr n ASP 334 Ca -0.09 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1bxr n ASP 334 Cb 0.42 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1bxr n ASP 334 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bxr n GLY 335 N 0.35 0.93 3.70 6.12 0.00 -0.49 -5.00 105.19 110.79 1bxr n GLY 335 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1bxr n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bxr s THR 336 N -2.88 2.64 0.24 2.61 -4.23 -1.26 -4.50 115.64 108.26 1bxr s THR 336 Ca 0.00 0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1bxr s THR 336 Cb 0.00 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 1bxr s THR 336 CO 0.00 -0.27 1.33 -0.22 -0.54 0.00 0.00 174.62 174.92 1bxr s LEU 337 N -6.34 4.42 0.00 4.79 2.96 -1.26 -0.99 118.68 122.26 1bxr s LEU 337 Ca 0.64 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 57.08 1bxr s LEU 337 Cb -0.20 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1bxr s LEU 337 CO 0.58 -0.56 0.00 0.00 -1.32 0.00 0.00 176.35 175.05 1bxr n GLN 338 N 2.11 2.47 -3.78 1.98 1.13 0.80 -4.74 117.38 117.36 1bxr n GLN 338 Ca 0.05 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 1bxr n GLN 338 Cb 0.42 -0.78 -0.10 0.00 0.11 0.00 0.00 30.24 29.89 1bxr n GLN 338 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1bxr s GLY 339 N -1.52 -0.16 0.05 1.08 0.00 -0.92 0.13 107.32 105.97 1bxr s GLY 339 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 1bxr s GLY 339 CO 0.00 0.30 0.16 -0.26 0.00 0.00 0.00 173.10 173.30 1bxr s ILE 340 N -0.80 0.12 -0.01 0.90 -4.36 -0.78 0.33 121.20 116.59 1bxr s ILE 340 Ca -0.09 -1.01 -0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1bxr s ILE 340 Cb -0.04 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.69 1bxr s ILE 340 CO 0.03 -0.56 0.03 -2.28 0.24 0.00 0.00 174.94 172.39 1bxr s HIS 341 N -2.83 -0.01 0.04 1.37 2.46 0.90 -1.59 115.29 115.64 1bxr s HIS 341 Ca -0.03 0.10 -0.31 0.00 0.47 0.00 0.00 55.06 55.29 1bxr s HIS 341 Cb 0.00 -0.10 -0.06 0.00 -0.13 0.00 0.00 32.58 32.29 1bxr s HIS 341 CO -0.05 -0.05 1.37 1.03 -2.47 0.00 0.00 174.74 174.57 1bxr s ARG 342 N 0.49 4.31 0.26 2.88 1.81 0.13 -0.22 118.95 128.62 1bxr s ARG 342 Ca -0.04 1.97 -0.02 0.00 -1.72 0.00 0.00 55.73 55.92 1bxr s ARG 342 Cb -0.06 -3.45 0.33 0.00 -0.45 0.00 0.00 34.95 31.33 1bxr s ARG 342 CO -0.01 -0.49 1.77 1.79 -0.68 0.00 0.00 175.30 177.67 1bxr h THR 343 N 4.67 1.24 0.00 0.02 1.35 0.23 -3.32 112.91 117.10 1bxr h THR 343 Ca -0.40 -0.97 -0.21 0.00 -0.55 0.00 0.00 66.41 64.29 1bxr h THR 343 Cb 1.19 0.82 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 1bxr h THR 343 CO 0.88 0.35 -1.91 -0.90 -0.25 0.00 0.00 175.52 173.69 1bxr n ASP 344 N -4.23 0.36 -4.47 5.36 5.75 -1.26 -5.01 116.55 113.06 1bxr n ASP 344 Ca 0.03 0.16 -0.23 0.00 -0.01 0.00 0.00 54.79 54.74 1bxr n ASP 344 Cb 0.29 0.85 -0.10 0.00 -1.03 0.00 0.00 41.12 41.12 1bxr n ASP 344 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1bxr s LYS 345 N -2.88 1.64 -1.47 0.11 -0.14 -1.25 -5.04 119.74 110.71 1bxr s LYS 345 Ca -0.07 -1.82 -0.12 0.00 -1.36 0.00 0.00 55.97 52.61 1bxr s LYS 345 Cb 0.09 -1.42 0.03 0.00 -1.68 0.00 0.00 37.83 34.85 1bxr s LYS 345 CO 0.84 0.12 2.39 -0.35 -0.76 0.00 0.00 175.35 177.59 1bxr n PRO 346 N -0.64 3.31 -3.73 -1.68 -0.04 -1.26 -4.33 135.00 126.62 1bxr n PRO 346 Ca -0.05 -2.68 -0.12 0.00 -0.04 0.00 0.00 63.50 60.60 1bxr n PRO 346 Cb 0.63 -3.06 -0.13 0.00 -0.04 0.00 0.00 33.50 30.89 1bxr n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr s ALA 347 N 2.23 -0.56 0.09 0.55 0.00 -1.26 -1.31 121.76 121.50 1bxr s ALA 347 Ca 0.52 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1bxr s ALA 347 Cb 0.15 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1bxr s ALA 347 CO -0.07 -0.19 0.28 -0.59 0.00 0.00 0.00 175.76 175.19 1bxr s PHE 348 N 1.17 -0.02 0.10 0.00 -0.71 -0.96 0.17 117.98 117.72 1bxr s PHE 348 Ca -0.09 -0.31 -0.12 0.00 -1.04 0.00 0.00 56.93 55.38 1bxr s PHE 348 Cb -0.10 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.81 1bxr s PHE 348 CO -0.08 -0.58 0.28 -1.54 -1.34 0.00 0.00 175.22 171.96 1bxr s SER 349 N -2.66 -0.04 -0.02 1.98 1.04 -0.62 -2.18 113.70 111.20 1bxr s SER 349 Ca 0.02 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.02 1bxr s SER 349 Cb 0.03 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1bxr s SER 349 CO -0.10 -0.78 -0.19 0.12 0.98 0.00 0.00 173.24 173.27 1bxr s PHE 350 N -3.78 1.79 -0.00 5.02 5.36 -0.52 -1.86 117.98 123.98 1bxr s PHE 350 Ca 0.04 -0.39 -0.20 0.00 -0.96 0.00 0.00 56.93 55.42 1bxr s PHE 350 Cb 0.03 -1.16 -0.25 0.00 -0.34 0.00 0.00 43.02 41.30 1bxr s PHE 350 CO -0.11 -0.07 1.07 0.37 -1.46 0.00 0.00 175.22 175.02 1bxr h GLN 351 N 5.81 0.40 0.00 10.12 5.75 0.72 1.05 115.11 138.95 1bxr h GLN 351 Ca -0.37 -0.46 -0.07 0.00 -0.15 0.00 0.00 58.65 57.61 1bxr h GLN 351 Cb 1.15 0.14 0.04 0.00 1.07 0.00 0.00 27.48 29.87 1bxr h GLN 351 CO 0.48 1.13 0.02 0.41 -2.65 0.00 0.00 178.83 178.22 1bxr n GLY 352 N 1.16 -2.43 3.05 2.39 0.00 -1.26 -3.62 105.19 104.48 1bxr n GLY 352 Ca -0.11 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1bxr n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bxr s HIS 353 N -1.37 3.67 0.35 1.61 3.76 0.12 -4.08 115.29 119.36 1bxr s HIS 353 Ca 0.13 -2.80 0.04 0.00 -0.15 0.00 0.00 55.06 52.28 1bxr s HIS 353 Cb -0.01 -2.86 0.66 0.00 1.11 0.00 0.00 32.58 31.47 1bxr s HIS 353 CO 0.10 -0.94 1.94 -1.35 -0.85 0.00 0.00 174.74 173.63 1bxr h PRO 354 N 7.72 0.60 0.00 8.40 0.11 -1.86 -1.15 132.00 145.80 1bxr h PRO 354 Ca -0.08 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1bxr h PRO 354 Cb 1.03 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1bxr h PRO 354 CO 0.55 0.52 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 1bxr n GLU 355 N -4.35 0.19 0.00 1.05 0.00 -1.26 -2.63 120.64 113.64 1bxr n GLU 355 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1bxr n GLU 355 Cb 0.17 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 29.78 1bxr n GLU 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bxr n ALA 356 N -1.75 0.00 -3.20 -1.84 0.00 -0.44 -4.89 120.51 108.39 1bxr n ALA 356 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1bxr n ALA 356 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 1bxr n ALA 356 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bxr n SER 357 N 6.10 -7.02 -4.96 0.00 2.88 -1.26 -4.76 113.62 104.60 1bxr n SER 357 Ca 0.00 -0.09 -0.20 0.00 -1.33 0.00 0.00 58.87 57.25 1bxr n SER 357 Cb 0.00 -4.22 0.04 0.00 -0.75 0.00 0.00 64.21 59.28 1bxr n SER 357 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bxr s PRO 358 N -3.21 2.48 0.00 -1.46 0.04 -1.26 -4.77 135.00 126.82 1bxr s PRO 358 Ca 0.11 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1bxr s PRO 358 Cb -0.02 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1bxr s PRO 358 CO 0.80 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1bxr n GLY 359 N -2.22 0.92 3.74 0.56 0.00 -1.26 -4.84 105.19 102.09 1bxr n GLY 359 Ca 0.10 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1bxr n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bxr s PRO 360 N -1.00 2.77 0.00 1.61 0.05 -1.26 -4.88 135.00 132.29 1bxr s PRO 360 Ca 0.00 1.98 0.20 0.00 0.05 0.00 0.00 61.00 63.23 1bxr s PRO 360 Cb 0.00 -1.91 0.54 0.00 0.05 0.00 0.00 34.50 33.18 1bxr s PRO 360 CO 0.00 -1.40 1.44 0.72 0.05 0.00 0.00 177.00 177.81 1bxr n HIS 361 N -1.71 0.49 -0.17 0.56 8.25 -1.26 -4.46 115.22 116.93 1bxr n HIS 361 Ca 0.15 -0.25 0.17 0.00 -0.26 0.00 0.00 57.72 57.53 1bxr n HIS 361 Cb 0.49 0.00 0.54 0.00 1.12 0.00 0.00 29.99 32.13 1bxr n HIS 361 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1bxr h ASP 362 N 3.27 0.33 1.32 0.41 5.19 -1.90 -2.85 116.42 122.20 1bxr h ASP 362 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1bxr h ASP 362 Cb 0.73 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1bxr h ASP 362 CO 0.00 0.16 -0.38 0.00 -3.12 0.00 0.00 179.24 175.90 1bxr h ALA 363 N 1.64 0.78 -1.70 3.45 0.00 -1.78 -3.40 119.26 118.25 1bxr h ALA 363 Ca 0.38 0.00 0.53 0.00 0.00 0.00 0.00 54.91 55.82 1bxr h ALA 363 Cb 0.99 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 1bxr h ALA 363 CO -0.11 0.00 1.17 0.00 0.00 0.00 0.00 179.25 180.31 1bxr n ALA 364 N -1.95 1.65 0.29 0.00 0.00 -1.08 -1.07 120.51 118.36 1bxr n ALA 364 Ca 0.03 0.75 0.15 0.00 0.00 0.00 0.00 53.44 54.38 1bxr n ALA 364 Cb 0.48 -1.10 0.88 0.00 0.00 0.00 0.00 19.45 19.70 1bxr n ALA 364 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1bxr h PRO 365 N 0.00 0.00 -0.85 0.00 0.11 -1.83 -2.14 132.00 127.28 1bxr h PRO 365 Ca 0.91 0.00 0.15 0.00 0.11 0.00 0.00 66.00 67.17 1bxr h PRO 365 Cb 3.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 34.39 1bxr h PRO 365 CO -0.22 0.05 0.56 -0.07 -0.21 0.00 0.00 178.00 178.10 1bxr h LEU 366 N 0.00 0.55 0.21 2.35 4.07 -1.45 -0.45 115.31 120.59 1bxr h LEU 366 Ca -0.00 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1bxr h LEU 366 Cb 0.14 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1bxr h LEU 366 CO 0.01 0.27 -0.18 -0.26 -1.08 0.00 0.00 178.44 177.20 1bxr h PHE 367 N 0.57 -0.46 -1.11 1.13 0.04 -1.59 -2.60 116.94 112.92 1bxr h PHE 367 Ca 0.43 0.00 0.32 0.00 2.80 0.00 0.00 57.97 61.52 1bxr h PHE 367 Cb 0.81 0.18 -0.11 0.00 2.20 0.00 0.00 35.95 39.03 1bxr h PHE 367 CO -0.00 -0.27 0.71 -0.44 -0.60 0.00 0.00 178.31 177.71 1bxr h ASP 368 N -0.41 0.40 0.18 2.17 3.32 -1.20 0.48 116.42 121.36 1bxr h ASP 368 Ca -0.01 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1bxr h ASP 368 Cb 0.37 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1bxr h ASP 368 CO -0.02 -0.01 -0.37 -0.74 -1.72 0.00 0.00 179.24 176.38 1bxr h HIS 369 N 0.30 0.30 0.47 4.55 2.76 -1.28 -0.92 115.15 121.34 1bxr h HIS 369 Ca 0.67 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.74 1bxr h HIS 369 Cb 1.81 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.71 1bxr h HIS 369 CO -0.00 0.60 -0.25 0.35 -1.30 0.00 0.00 177.93 177.33 1bxr h PHE 370 N 0.23 -0.65 -1.22 5.26 3.57 0.02 -2.61 116.94 121.54 1bxr h PHE 370 Ca 0.02 -0.01 0.42 0.00 3.53 0.00 0.00 57.97 61.93 1bxr h PHE 370 Cb 0.76 0.22 -0.14 0.00 2.79 0.00 0.00 35.95 39.58 1bxr h PHE 370 CO 0.01 -0.39 0.75 0.82 -2.23 0.00 0.00 178.31 177.28 1bxr h ILE 371 N -0.66 0.12 -0.38 1.41 1.08 -1.20 1.83 117.51 119.70 1bxr h ILE 371 Ca -0.06 -0.03 -0.09 0.00 -0.39 0.00 0.00 64.86 64.29 1bxr h ILE 371 Cb 0.52 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1bxr h ILE 371 CO 0.09 0.02 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.12 1bxr h GLU 372 N 0.10 0.66 -0.23 2.37 5.08 -0.87 -1.57 114.58 120.13 1bxr h GLU 372 Ca 0.82 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.83 1bxr h GLU 372 Cb 2.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.58 1bxr h GLU 372 CO -0.51 0.76 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.78 1bxr h LEU 373 N 0.61 0.58 -0.23 1.33 3.38 0.31 -2.23 115.31 119.07 1bxr h LEU 373 Ca 0.11 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1bxr h LEU 373 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1bxr h LEU 373 CO 0.03 0.93 -0.36 0.40 0.09 0.00 0.00 178.44 179.53 1bxr h ILE 374 N 0.45 1.32 -0.35 1.22 2.04 -0.98 -2.32 117.51 118.89 1bxr h ILE 374 Ca 0.04 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.35 1bxr h ILE 374 Cb 0.91 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1bxr h ILE 374 CO 0.08 0.49 0.18 -0.33 0.00 0.00 0.00 178.15 178.57 1bxr h GLU 375 N 0.36 0.36 -0.28 2.37 5.08 -1.21 -1.99 114.58 119.26 1bxr h GLU 375 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1bxr h GLU 375 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1bxr h GLU 375 CO 0.08 0.24 0.09 0.37 -1.00 0.00 0.00 179.01 178.79 1bxr h GLN 376 N 0.37 0.39 -0.02 2.33 4.15 -1.36 -1.43 115.11 119.54 1bxr h GLN 376 Ca 0.14 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1bxr h GLN 376 Cb 0.04 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1bxr h GLN 376 CO -0.09 0.35 -0.38 -0.92 -1.93 0.00 0.00 178.83 175.85 1bxr h TYR 377 N 0.39 0.06 0.00 3.99 3.20 -0.83 -2.43 116.97 121.35 1bxr h TYR 377 Ca 0.10 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1bxr h TYR 377 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1bxr h TYR 377 CO 0.00 0.42 -0.40 0.00 -1.64 0.00 0.00 178.16 176.55 1bxr h ARG 378 N 0.04 0.00 -0.32 1.82 3.08 -0.59 -2.87 114.38 115.53 1bxr h ARG 378 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1bxr h ARG 378 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1bxr h ARG 378 CO 0.05 0.40 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.90 1bxr h LYS 379 N 0.00 0.62 -0.02 0.04 3.64 -0.81 -3.51 116.57 116.53 1bxr h LYS 379 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1bxr h LYS 379 Cb 1.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1bxr h LYS 379 CO 0.05 0.80 0.00 2.41 -2.27 0.00 0.00 179.45 180.44