#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 3.07 0.55 9.51 1.02 -1.26 -5.01 119.74 127.62 1bxr s LYS 3 Ca 0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1bxr s LYS 3 Cb 0.00 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1bxr s LYS 3 CO 0.00 -0.57 0.84 -1.12 -0.92 0.00 0.00 175.35 173.58 1bxr s SER 4 N 1.59 5.70 0.07 2.83 0.01 -1.24 -1.76 113.70 120.89 1bxr s SER 4 Ca 0.03 0.63 -0.22 0.00 1.31 0.00 0.00 55.95 57.71 1bxr s SER 4 Cb -0.18 -1.71 0.05 0.00 0.21 0.00 0.00 66.02 64.39 1bxr s SER 4 CO 0.07 -0.95 0.51 0.00 0.41 0.00 0.00 173.24 173.28 1bxr s ALA 5 N -2.87 -1.31 -0.15 1.44 0.00 -1.21 -1.30 121.76 116.36 1bxr s ALA 5 Ca 0.52 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 1bxr s ALA 5 Cb -0.10 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.54 1bxr s ALA 5 CO 0.43 -0.55 0.52 -0.48 0.00 0.00 0.00 175.76 175.69 1bxr s LEU 6 N -2.15 0.00 -0.14 0.00 2.34 0.11 -2.16 118.68 116.69 1bxr s LEU 6 Ca -0.04 0.88 0.02 0.00 0.06 0.00 0.00 54.13 55.06 1bxr s LEU 6 Cb -0.00 1.85 0.01 0.00 -0.56 0.00 0.00 46.19 47.49 1bxr s LEU 6 CO -0.04 -0.28 -0.21 -0.22 -1.06 0.00 0.00 176.35 174.53 1bxr s LEU 7 N -0.16 2.06 -0.09 1.48 2.96 -0.31 0.81 118.68 125.42 1bxr s LEU 7 Ca -0.04 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1bxr s LEU 7 Cb -0.03 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.26 1bxr s LEU 7 CO 0.03 0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.22 1bxr s VAL 8 N 0.83 1.84 0.25 1.68 1.01 0.11 -0.51 120.40 125.62 1bxr s VAL 8 Ca -0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1bxr s VAL 8 Cb -0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1bxr s VAL 8 CO -0.02 0.51 0.51 -0.76 0.00 0.00 0.00 175.10 175.35 1bxr s LEU 9 N 0.36 4.12 0.36 3.92 1.43 -0.26 0.22 118.68 128.84 1bxr s LEU 9 Ca -0.16 0.70 0.18 0.00 -1.03 0.00 0.00 54.13 53.81 1bxr s LEU 9 Cb -0.17 -3.49 1.15 0.00 0.03 0.00 0.00 46.19 43.71 1bxr s LEU 9 CO 0.07 -0.12 1.67 -0.33 0.23 0.00 0.00 176.35 177.87 1bxr h GLU 10 N 2.01 0.29 0.00 1.70 5.08 -1.09 0.34 114.58 122.91 1bxr h GLU 10 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1bxr h GLU 10 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1bxr h GLU 10 CO 0.68 0.19 0.00 -0.40 -1.00 0.00 0.00 179.01 178.48 1bxr n ASP 11 N -4.94 0.00 0.00 1.42 5.75 -1.26 -4.83 116.55 112.69 1bxr n ASP 11 Ca 0.32 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1bxr n ASP 11 Cb 1.04 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1bxr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bxr n GLY 12 N 0.19 0.18 3.70 6.12 0.00 0.12 -5.05 105.19 110.44 1bxr n GLY 12 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 3.65 -0.09 2.61 2.01 -1.24 -4.79 115.64 115.79 1bxr s THR 13 Ca 0.00 1.11 -0.02 0.00 0.31 0.00 0.00 61.69 63.10 1bxr s THR 13 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1bxr s THR 13 CO 0.00 0.04 -0.00 -1.10 -0.69 0.00 0.00 174.62 172.87 1bxr s GLN 14 N 1.78 2.98 -0.17 4.92 -0.21 -1.26 -1.10 119.66 126.59 1bxr s GLN 14 Ca 0.63 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1bxr s GLN 14 Cb -0.33 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 30.94 1bxr s GLN 14 CO 0.28 0.69 -0.08 -0.06 -2.12 0.00 0.00 175.29 174.00 1bxr s PHE 15 N -0.85 1.99 -0.14 0.91 0.40 0.34 -5.01 117.98 115.62 1bxr s PHE 15 Ca 0.13 -1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1bxr s PHE 15 Cb -0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1bxr s PHE 15 CO 0.02 -0.66 0.05 -1.01 0.70 0.00 0.00 175.22 174.33 1bxr s HIS 16 N 1.54 3.28 0.00 0.36 3.76 -1.26 -1.17 115.29 121.80 1bxr s HIS 16 Ca 0.01 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1bxr s HIS 16 Cb -0.15 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1bxr s HIS 16 CO -0.08 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 1bxr n GLY 17 N 2.90 4.05 3.22 -2.22 0.00 -0.92 -4.66 105.19 107.56 1bxr n GLY 17 Ca -0.18 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 4.90 1.42 -0.04 1.61 3.52 0.17 -3.32 118.95 127.21 1bxr s ARG 18 Ca 0.00 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 1bxr s ARG 18 Cb 0.00 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 1bxr s ARG 18 CO 0.00 0.38 1.03 0.00 -0.81 0.00 0.00 175.30 175.90 1bxr s ALA 19 N -0.66 3.30 0.00 6.12 0.00 -0.72 0.19 121.76 129.99 1bxr s ALA 19 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1bxr s ALA 19 Cb -0.08 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1bxr s ALA 19 CO 0.01 -0.44 0.25 0.44 0.00 0.00 0.00 175.76 176.02 1bxr n ILE 20 N 4.22 0.00 -0.77 0.00 -5.35 0.28 -4.88 119.36 112.86 1bxr n ILE 20 Ca 0.08 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1bxr n ILE 20 Cb 0.49 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 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 0.34 5.31 3.76 3.28 0.00 -1.16 -4.58 105.19 112.14 1bxr n GLY 21 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 2.09 0.07 4.61 0.00 0.61 -4.69 121.76 122.44 1bxr s ALA 22 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 1bxr s ALA 22 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1bxr s ALA 22 CO 0.00 -1.90 0.73 0.99 0.00 0.00 0.00 175.76 175.58 1bxr s THR 23 N -2.92 4.67 -5.00 0.00 2.01 -1.26 -4.22 115.64 108.92 1bxr s THR 23 Ca 0.62 1.57 0.00 0.00 0.31 0.00 0.00 61.69 64.18 1bxr s THR 23 Cb -0.17 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1bxr s THR 23 CO 0.56 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 1bxr n GLY 24 N 2.16 0.53 3.30 4.40 0.00 -0.47 -4.97 105.19 110.15 1bxr n GLY 24 Ca -0.04 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 2.26 -0.10 1.61 1.04 -1.26 -0.26 113.70 112.99 1bxr s SER 25 Ca 0.00 -1.00 -0.08 0.00 0.48 0.00 0.00 55.95 55.35 1bxr s SER 25 Cb 0.00 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1bxr s SER 25 CO 0.00 -0.22 0.26 0.00 0.98 0.00 0.00 173.24 174.26 1bxr s ALA 26 N -3.00 -0.63 -0.00 5.32 0.00 -0.02 -4.90 121.76 118.52 1bxr s ALA 26 Ca 0.19 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1bxr s ALA 26 Cb -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1bxr s ALA 26 CO 0.04 -0.14 -0.06 0.08 0.00 0.00 0.00 175.76 175.69 1bxr s VAL 27 N 0.35 0.47 -0.07 0.00 1.01 -1.26 -0.14 120.40 120.76 1bxr s VAL 27 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1bxr s VAL 27 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1bxr s VAL 27 CO -0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1bxr n GLY 28 N 2.82 -1.23 3.71 4.51 0.00 -1.01 -4.76 105.19 109.24 1bxr n GLY 28 Ca -0.14 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.26 4.42 0.02 1.61 2.12 -0.54 -0.16 118.70 125.91 1bxr s GLU 29 Ca 0.00 0.84 -0.23 0.00 0.36 0.00 0.00 54.97 55.94 1bxr s GLU 29 Cb 0.00 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1bxr s GLU 29 CO 0.00 0.06 0.70 0.08 -0.54 0.00 0.00 175.26 175.56 1bxr s VAL 30 N 0.84 4.82 0.10 3.70 1.01 0.16 -1.06 120.40 129.97 1bxr s VAL 30 Ca 0.36 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1bxr s VAL 30 Cb -0.17 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1bxr s VAL 30 CO 0.17 0.37 -0.09 0.68 0.00 0.00 0.00 175.10 176.23 1bxr s VAL 31 N -0.01 0.85 -0.06 2.92 -7.23 -0.30 -4.24 120.40 112.34 1bxr s VAL 31 Ca 0.36 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1bxr s VAL 31 Cb -0.19 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1bxr s VAL 31 CO 0.21 -0.65 -0.08 0.72 -0.31 0.00 0.00 175.10 174.98 1bxr s PHE 32 N -2.77 2.90 -0.09 2.82 -0.12 -1.26 -0.07 117.98 119.40 1bxr s PHE 32 Ca 0.07 -0.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1bxr s PHE 32 Cb -0.01 -1.69 0.01 0.00 -0.63 0.00 0.00 43.02 40.70 1bxr s PHE 32 CO -0.01 0.32 -0.15 1.21 -0.05 0.00 0.00 175.22 176.53 1bxr s ASN 33 N -0.84 2.28 0.00 1.98 3.84 0.13 -4.49 114.94 117.85 1bxr s ASN 33 Ca 0.13 -0.40 0.15 0.00 0.21 0.00 0.00 52.86 52.95 1bxr s ASN 33 Cb -0.11 -1.04 0.49 0.00 -0.55 0.00 0.00 41.25 40.05 1bxr s ASN 33 CO 0.02 0.05 1.38 0.35 -2.79 0.00 0.00 177.10 176.10 1bxr n THR 34 N 3.93 0.35 -2.00 -5.21 -2.24 -0.62 -1.70 114.28 106.78 1bxr n THR 34 Ca -0.20 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1bxr n THR 34 Cb 0.52 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.23 6.65 0.20 3.42 0.01 -1.26 -4.70 113.70 116.78 1bxr s SER 35 Ca 0.27 2.60 0.15 0.00 1.31 0.00 0.00 55.95 60.28 1bxr s SER 35 Cb 0.14 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1bxr s SER 35 CO 0.20 -0.74 1.22 0.24 0.41 0.00 0.00 173.24 174.57 1bxr h MET 36 N 5.94 0.00 -5.23 12.44 2.86 -1.98 -3.41 114.93 125.56 1bxr h MET 36 Ca -0.44 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.79 1bxr h MET 36 Cb 1.21 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.73 1bxr h MET 36 CO 0.84 0.45 -0.68 0.95 1.06 0.00 0.00 176.91 179.53 1bxr s THR 37 N -2.94 1.26 0.00 2.22 -4.23 -1.26 -4.93 115.64 105.76 1bxr s THR 37 Ca 0.01 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1bxr s THR 37 Cb 0.08 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1bxr s THR 37 CO 0.77 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1bxr n GLY 38 N -0.43 0.89 0.23 3.99 0.00 -1.26 -4.87 105.19 103.73 1bxr n GLY 38 Ca -0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 0.69 -0.44 1.61 -0.00 -1.93 -1.56 116.97 115.35 1bxr h TYR 39 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 58.73 58.46 1bxr h TYR 39 Cb 0.88 -0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.45 1bxr h TYR 39 CO 0.00 0.90 0.02 0.37 -0.00 0.00 0.00 178.16 179.45 1bxr h GLN 40 N 0.47 0.76 -0.38 0.10 4.15 -1.91 -1.01 115.11 117.29 1bxr h GLN 40 Ca 0.04 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 1bxr h GLN 40 Cb 0.93 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1bxr h GLN 40 CO 0.08 0.81 0.16 0.93 -1.93 0.00 0.00 178.83 178.89 1bxr h GLU 41 N 0.60 0.53 -0.51 1.69 3.07 -1.41 -1.30 114.58 117.26 1bxr h GLU 41 Ca 0.13 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1bxr h GLU 41 Cb 0.46 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1bxr h GLU 41 CO 0.02 0.44 -0.15 0.82 -1.40 0.00 0.00 179.01 178.73 1bxr h ILE 42 N 0.54 1.27 -0.68 3.13 2.04 -0.75 -3.16 117.51 119.89 1bxr h ILE 42 Ca 0.13 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1bxr h ILE 42 Cb 0.10 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1bxr h ILE 42 CO -0.02 0.46 0.34 -0.07 0.00 0.00 0.00 178.15 178.87 1bxr h LEU 43 N 0.88 0.87 -1.61 1.44 3.38 -0.06 -2.55 115.31 117.65 1bxr h LEU 43 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bxr h LEU 43 Cb 0.73 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bxr h LEU 43 CO 0.06 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.68 1bxr n THR 44 N -4.48 0.74 -3.43 0.22 -2.24 -0.86 -0.79 114.28 103.44 1bxr n THR 44 Ca 0.05 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 1bxr n THR 44 Cb 0.11 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.34 6.19 0.53 3.42 2.15 -0.96 -2.76 116.67 124.90 1bxr s ASP 45 Ca 0.16 0.16 0.19 0.00 0.43 0.00 0.00 52.55 53.48 1bxr s ASP 45 Cb 0.12 -2.19 1.38 0.00 -0.30 0.00 0.00 42.92 41.92 1bxr s ASP 45 CO 0.05 -0.18 2.16 -0.65 -0.17 0.00 0.00 175.17 176.39 1bxr h PRO 46 N 8.25 0.00 0.00 4.34 0.11 -1.88 0.00 132.00 142.83 1bxr h PRO 46 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bxr h PRO 46 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bxr h PRO 46 CO 0.63 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.85 1bxr n SER 47 N -4.40 0.00 -0.33 -2.05 7.64 -1.26 -1.47 113.62 111.74 1bxr n SER 47 Ca -0.03 0.39 0.13 0.00 1.01 0.00 0.00 58.87 60.37 1bxr n SER 47 Cb 0.11 -0.42 0.31 0.00 -1.01 0.00 0.00 64.21 63.20 1bxr n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bxr n TYR 48 N -1.42 0.00 -1.61 1.43 4.01 -0.01 -4.46 117.16 115.09 1bxr n TYR 48 Ca 0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.31 1bxr n TYR 48 Cb 0.07 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.40 1.71 -0.69 7.72 2.88 -0.54 -0.71 113.62 123.60 1bxr n SER 49 Ca 0.12 1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1bxr n SER 49 Cb 0.38 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.48 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 1.19 -1.01 -4.98 -1.46 1.74 -1.25 -4.81 116.66 106.07 1bxr n ARG 50 Ca 0.11 0.76 -0.28 0.00 -0.77 0.00 0.00 57.85 57.67 1bxr n ARG 50 Cb 0.30 -4.77 -0.16 0.00 -1.02 0.00 0.00 32.46 26.81 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 -2.53 1.94 -0.51 5.56 -0.21 0.12 -1.46 119.66 122.56 1bxr s GLN 51 Ca 0.00 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.50 1bxr s GLN 51 Cb 0.00 -1.71 0.08 0.00 1.00 0.00 0.00 33.01 32.38 1bxr s GLN 51 CO 0.00 0.33 0.51 0.42 -2.12 0.00 0.00 175.29 174.43 1bxr s ILE 52 N -0.14 5.08 -0.11 1.08 1.01 -0.22 0.26 121.20 128.16 1bxr s ILE 52 Ca -0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 1bxr s ILE 52 Cb -0.11 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1bxr s ILE 52 CO 0.02 -0.77 0.80 -0.69 0.00 0.00 0.00 174.94 174.30 1bxr s VAL 53 N 2.02 4.94 -0.21 2.92 1.01 -0.67 -1.15 120.40 129.26 1bxr s VAL 53 Ca 0.08 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.63 1bxr s VAL 53 Cb -0.24 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1bxr s VAL 53 CO 0.07 0.13 0.00 -0.89 0.00 0.00 0.00 175.10 174.41 1bxr s THR 54 N 1.47 3.86 -0.16 3.92 2.01 0.90 -1.08 115.64 126.56 1bxr s THR 54 Ca 0.40 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 1bxr s THR 54 Cb -0.18 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1bxr s THR 54 CO 0.17 0.41 0.17 -0.76 -0.69 0.00 0.00 174.62 173.92 1bxr s LEU 55 N 1.25 4.28 0.20 4.42 1.43 -0.73 0.22 118.68 129.75 1bxr s LEU 55 Ca 0.04 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1bxr s LEU 55 Cb -0.15 -2.15 0.12 0.00 0.03 0.00 0.00 46.19 44.04 1bxr s LEU 55 CO 0.01 0.24 1.47 0.71 0.23 0.00 0.00 176.35 179.01 1bxr h THR 56 N 4.42 1.40 -3.17 5.49 1.35 -1.63 -3.42 112.91 117.36 1bxr h THR 56 Ca -0.46 -2.15 -0.57 0.00 -0.55 0.00 0.00 66.41 62.68 1bxr h THR 56 Cb 1.18 2.12 -0.05 0.00 -1.73 0.00 0.00 68.15 69.67 1bxr h THR 56 CO 0.70 0.64 1.01 -0.47 -0.25 0.00 0.00 175.52 177.15 1bxr s TYR 57 N -3.61 2.56 0.20 4.73 5.04 -1.26 -4.92 117.35 120.09 1bxr s TYR 57 Ca -0.05 0.79 -0.19 0.00 -2.44 0.00 0.00 57.07 55.17 1bxr s TYR 57 Cb 0.11 -4.04 0.16 0.00 0.35 0.00 0.00 41.96 38.53 1bxr s TYR 57 CO 0.82 -1.87 1.58 -1.00 -1.34 0.00 0.00 175.55 173.75 1bxr h PRO 58 N 9.82 -0.12 -5.73 4.97 0.14 -1.94 -3.38 132.00 135.76 1bxr h PRO 58 Ca -0.27 0.01 -0.63 0.00 0.14 0.00 0.00 66.00 65.25 1bxr h PRO 58 Cb 1.10 0.03 -0.13 0.00 0.14 0.00 0.00 31.00 32.14 1bxr h PRO 58 CO 1.05 -0.08 0.38 -1.01 0.14 0.00 0.00 178.00 178.48 1bxr s HIS 59 N -6.02 2.95 -0.22 1.56 3.76 -1.26 -0.69 115.29 115.37 1bxr s HIS 59 Ca -0.14 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1bxr s HIS 59 Cb 0.17 -3.76 0.01 0.00 1.11 0.00 0.00 32.58 30.11 1bxr s HIS 59 CO 0.70 -1.09 -0.11 0.42 -0.85 0.00 0.00 174.74 173.82 1bxr s ILE 60 N 3.40 2.72 0.00 0.60 -1.09 -0.73 -4.59 121.20 121.51 1bxr s ILE 60 Ca 0.29 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1bxr s ILE 60 Cb -0.13 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 1bxr s ILE 60 CO 0.21 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 1bxr n GLY 61 N 4.68 0.92 0.46 6.18 0.00 -1.26 -4.17 105.19 112.00 1bxr n GLY 61 Ca -0.19 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 0.00 -0.23 1.61 2.35 -1.82 -1.59 115.58 115.90 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 -4.26 0.42 -4.22 2.81 0.24 -1.26 -0.28 118.33 111.78 1bxr n VAL 63 Ca 0.18 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1bxr n VAL 63 Cb 0.95 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 34.31 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 0.96 0.63 3.29 7.63 0.00 -0.60 -4.11 105.19 112.99 1bxr n GLY 64 Ca 0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 0.10 0.08 2.61 -4.23 -0.51 -4.67 115.64 109.01 1bxr s THR 65 Ca 0.00 -1.17 -0.23 0.00 -1.18 0.00 0.00 61.69 59.12 1bxr s THR 65 Cb 0.00 -1.53 0.06 0.00 1.34 0.00 0.00 72.50 72.37 1bxr s THR 65 CO 0.00 -0.44 0.55 0.54 -0.54 0.00 0.00 174.62 174.73 1bxr s ASN 66 N -2.90 -0.48 0.32 3.99 2.20 -1.26 -0.15 114.94 116.65 1bxr s ASN 66 Ca 0.10 0.13 0.03 0.00 -0.94 0.00 0.00 52.86 52.18 1bxr s ASN 66 Cb 0.04 0.53 0.53 0.00 -2.00 0.00 0.00 41.25 40.34 1bxr s ASN 66 CO -0.06 -0.80 1.84 0.44 -2.94 0.00 0.00 177.10 175.58 1bxr h ASP 67 N 2.52 0.56 0.21 3.54 3.32 -1.98 -2.09 116.42 122.49 1bxr h ASP 67 Ca -0.32 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1bxr h ASP 67 Cb 1.24 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1bxr h ASP 67 CO 0.41 0.63 -0.09 0.00 -1.72 0.00 0.00 179.24 178.47 1bxr h ALA 68 N 1.44 1.45 -0.18 3.45 0.00 -1.97 -1.75 119.26 121.70 1bxr h ALA 68 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 68 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bxr h ALA 68 CO 0.01 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 1bxr n ASP 69 N -3.85 1.70 -4.66 0.00 8.00 -0.79 -4.77 116.55 112.18 1bxr n ASP 69 Ca -0.02 -2.13 -0.37 0.00 0.71 0.00 0.00 54.79 52.97 1bxr n ASP 69 Cb 0.18 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.60 4.12 0.00 -1.24 2.02 -0.66 -2.90 118.70 118.43 1bxr s GLU 70 Ca 0.14 -0.01 0.25 0.00 0.02 0.00 0.00 54.97 55.37 1bxr s GLU 70 Cb 0.09 -3.54 0.49 0.00 0.10 0.00 0.00 34.13 31.27 1bxr s GLU 70 CO 0.07 -0.01 1.40 0.39 0.02 0.00 0.00 175.26 177.13 1bxr n GLU 71 N 4.44 0.38 -4.00 1.61 -0.58 -1.26 -4.85 120.64 116.38 1bxr n GLU 71 Ca -0.11 -0.24 -0.12 0.00 -0.42 0.00 0.00 57.16 56.27 1bxr n GLU 71 Cb 0.51 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.79 0.52 0.00 1.62 1.04 -1.11 0.14 113.70 113.13 1bxr s SER 72 Ca 0.16 -1.31 0.20 0.00 0.48 0.00 0.00 55.95 55.48 1bxr s SER 72 Cb 0.18 0.71 0.93 0.00 0.10 0.00 0.00 66.02 67.93 1bxr s SER 72 CO 0.64 -1.39 1.65 -1.54 0.98 0.00 0.00 173.24 173.58 1bxr n SER 73 N -1.27 0.00 -2.96 7.02 3.41 -1.26 -4.87 113.62 113.69 1bxr n SER 73 Ca -0.02 0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.80 1bxr n SER 73 Cb 0.61 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1bxr n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bxr s GLN 74 N -2.84 2.18 -0.15 4.33 -2.07 -1.26 -5.12 119.66 114.72 1bxr s GLN 74 Ca 0.13 -1.55 -0.23 0.00 -1.82 0.00 0.00 55.36 51.90 1bxr s GLN 74 Cb 0.13 0.58 -0.02 0.00 -1.09 0.00 0.00 33.01 32.61 1bxr s GLN 74 CO 0.35 -1.00 0.72 0.08 -1.32 0.00 0.00 175.29 174.12 1bxr s VAL 75 N -2.42 4.98 -0.16 3.63 1.01 -1.26 -4.31 120.40 121.86 1bxr s VAL 75 Ca 0.19 1.41 0.17 0.00 0.00 0.00 0.00 61.98 63.76 1bxr s VAL 75 Cb -0.04 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1bxr s VAL 75 CO 0.14 0.12 0.23 1.41 0.00 0.00 0.00 175.10 176.99 1bxr n HIS 76 N 4.79 0.27 -1.60 5.22 -0.00 0.03 -4.96 115.22 118.97 1bxr n HIS 76 Ca 0.01 0.10 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 1bxr n HIS 76 Cb 0.50 -1.05 -0.00 0.00 -0.00 0.00 0.00 29.99 29.44 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 -2.70 0.06 0.10 -1.41 0.00 -1.11 -3.14 120.51 112.31 1bxr n ALA 77 Ca -0.29 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1bxr n ALA 77 Cb 1.13 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 1.77 0.49 -3.67 0.00 5.75 0.34 -3.46 115.11 116.32 1bxr h GLN 78 Ca -0.43 -0.70 -0.06 0.00 -0.15 0.00 0.00 58.65 57.31 1bxr h GLN 78 Cb 1.34 0.24 -0.10 0.00 1.07 0.00 0.00 27.48 30.03 1bxr h GLN 78 CO 0.58 1.31 -0.14 0.20 -2.65 0.00 0.00 178.83 178.13 1bxr s GLY 79 N -4.52 0.48 -0.08 2.39 0.00 -1.20 -4.56 107.32 99.83 1bxr s GLY 79 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1bxr s GLY 79 CO 0.91 -0.64 -0.08 -2.27 0.00 0.00 0.00 173.10 171.03 1bxr s LEU 80 N -3.00 1.31 -0.21 0.66 2.96 -1.17 -1.67 118.68 117.55 1bxr s LEU 80 Ca 0.21 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1bxr s LEU 80 Cb 0.00 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 46.02 1bxr s LEU 80 CO 0.06 -0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 1bxr s VAL 81 N 1.21 2.04 0.18 1.68 1.01 -0.24 -1.10 120.40 125.18 1bxr s VAL 81 Ca -0.05 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1bxr s VAL 81 Cb -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1bxr s VAL 81 CO -0.02 0.26 -0.03 0.27 0.00 0.00 0.00 175.10 175.58 1bxr s ILE 82 N 1.23 0.92 -0.10 2.22 -4.36 -1.07 -1.76 121.20 118.27 1bxr s ILE 82 Ca -0.02 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.13 1bxr s ILE 82 Cb -0.16 -2.12 -0.28 0.00 1.25 0.00 0.00 42.46 41.16 1bxr s ILE 82 CO -0.09 -0.50 0.71 -0.09 0.24 0.00 0.00 174.94 175.21 1bxr h ARG 83 N 2.65 0.16 -3.16 0.37 9.65 -1.77 -3.04 114.38 119.23 1bxr h ARG 83 Ca -0.37 -0.28 -0.22 0.00 -1.10 0.00 0.00 59.98 58.01 1bxr h ARG 83 Cb 1.21 0.10 -0.30 0.00 -1.39 0.00 0.00 29.97 29.59 1bxr h ARG 83 CO 0.64 1.13 -0.54 0.34 2.80 0.00 0.00 179.97 184.34 1bxr s ASP 84 N -6.74 -0.18 -0.41 -3.80 2.15 0.13 -1.94 116.67 105.88 1bxr s ASP 84 Ca -0.18 0.40 -0.15 0.00 0.43 0.00 0.00 52.55 53.05 1bxr s ASP 84 Cb 0.01 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1bxr s ASP 84 CO 0.75 -0.15 0.30 -0.22 -0.17 0.00 0.00 175.17 175.68 1bxr s LEU 85 N 1.10 5.12 0.66 -1.34 2.96 -1.26 -1.77 118.68 124.14 1bxr s LEU 85 Ca -0.08 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.75 1bxr s LEU 85 Cb -0.10 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1bxr s LEU 85 CO -0.06 -0.45 0.77 -0.81 -1.32 0.00 0.00 176.35 174.48 1bxr n PRO 86 N 5.16 0.56 -0.20 0.98 -0.04 -1.26 -4.90 135.00 135.29 1bxr n PRO 86 Ca -0.11 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1bxr n PRO 86 Cb 0.47 -2.01 0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1bxr n PRO 86 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxr h LEU 87 N -0.00 0.76 -8.51 1.53 4.07 -1.97 -3.45 115.31 107.74 1bxr h LEU 87 Ca -0.47 -0.13 -0.26 0.00 0.08 0.00 0.00 57.88 57.09 1bxr h LEU 87 Cb 1.36 -0.19 -0.15 0.00 1.08 0.00 0.00 40.66 42.75 1bxr h LEU 87 CO 0.47 0.68 -0.70 0.27 -1.08 0.00 0.00 178.44 178.07 1bxr s ILE 88 N -5.69 0.86 -0.15 1.22 -4.36 -1.26 -5.14 121.20 106.69 1bxr s ILE 88 Ca -0.13 -1.96 -0.07 0.00 -0.26 0.00 0.00 60.65 58.24 1bxr s ILE 88 Cb 0.13 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1bxr s ILE 88 CO 0.78 -0.81 0.09 0.00 0.24 0.00 0.00 174.94 175.23 1bxr s ALA 89 N -3.46 3.58 -0.39 2.27 0.00 -1.26 -4.65 121.76 117.86 1bxr s ALA 89 Ca 0.13 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1bxr s ALA 89 Cb 0.04 -1.90 0.16 0.00 0.00 0.00 0.00 23.12 21.42 1bxr s ALA 89 CO -0.03 0.39 0.28 0.45 0.00 0.00 0.00 175.76 176.85 1bxr s SER 90 N -0.30 2.16 -0.24 0.00 0.15 0.62 -4.89 113.70 111.20 1bxr s SER 90 Ca 0.09 -2.67 -0.19 0.00 0.70 0.00 0.00 55.95 53.89 1bxr s SER 90 Cb -0.12 -0.43 0.07 0.00 -1.71 0.00 0.00 66.02 63.83 1bxr s SER 90 CO 0.01 -0.23 0.63 0.21 1.20 0.00 0.00 173.24 175.05 1bxr s ASN 91 N 0.51 -0.73 0.58 5.45 3.84 -1.26 -4.76 114.94 118.57 1bxr s ASN 91 Ca 0.26 1.31 0.28 0.00 0.21 0.00 0.00 52.86 54.92 1bxr s ASN 91 Cb -0.09 1.26 1.61 0.00 -0.55 0.00 0.00 41.25 43.48 1bxr s ASN 91 CO -0.10 -0.22 2.08 2.19 -2.79 0.00 0.00 177.10 178.25 1bxr h PHE 92 N 5.95 0.00 0.00 0.43 -0.00 -1.98 -1.28 116.94 120.06 1bxr h PHE 92 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 1bxr h PHE 92 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.14 1bxr h PHE 92 CO 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 178.31 178.48 1bxr h ARG 93 N 0.00 0.00 -6.72 6.09 3.08 -1.96 -3.47 114.38 111.40 1bxr h ARG 93 Ca 0.11 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.60 1bxr h ARG 93 Cb 0.56 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.70 1bxr h ARG 93 CO -0.00 0.00 0.74 -1.71 -1.07 0.00 0.00 179.97 177.93 1bxr n ASN 94 N -2.31 3.35 0.00 7.04 5.15 -0.49 -4.63 115.26 123.37 1bxr n ASN 94 Ca 0.05 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1bxr n ASN 94 Cb 0.44 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 1bxr n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bxr n THR 95 N 1.76 0.00 -3.66 -0.44 -2.24 0.78 -4.94 114.28 105.55 1bxr n THR 95 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1bxr n THR 95 Cb 0.35 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.34 0.61 0.74 -0.78 2.12 -1.18 -4.99 118.70 113.88 1bxr s GLU 96 Ca 0.00 1.12 -0.15 0.00 0.36 0.00 0.00 54.97 56.29 1bxr s GLU 96 Cb 0.00 0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.57 1bxr s GLU 96 CO 0.00 -0.16 1.24 -0.40 -0.54 0.00 0.00 175.26 175.41 1bxr n ASP 97 N 4.38 1.50 -0.09 -1.70 5.75 -1.26 -1.42 116.55 123.71 1bxr n ASP 97 Ca -0.20 0.70 -0.07 0.00 -0.01 0.00 0.00 54.79 55.21 1bxr n ASP 97 Cb 0.57 -1.53 -0.00 0.00 -1.03 0.00 0.00 41.12 39.13 1bxr n ASP 97 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1bxr h LEU 98 N -0.26 -0.69 -0.34 -2.12 5.85 -1.83 -1.90 115.31 114.01 1bxr h LEU 98 Ca -0.48 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.46 1bxr h LEU 98 Cb 1.32 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.62 1bxr h LEU 98 CO 0.49 -0.24 -0.28 -1.28 -0.34 0.00 0.00 178.44 176.79 1bxr h SER 99 N -0.17 -0.92 -0.45 1.25 0.87 -1.91 0.89 113.55 113.11 1bxr h SER 99 Ca 0.17 0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.97 1bxr h SER 99 Cb 0.43 0.44 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 1bxr h SER 99 CO -0.43 -0.30 0.10 0.28 -0.53 0.00 0.00 176.83 175.95 1bxr h SER 100 N -0.24 0.03 -0.79 6.23 0.02 -1.81 -0.27 113.55 116.72 1bxr h SER 100 Ca 0.16 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1bxr h SER 100 Cb 0.50 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1bxr h SER 100 CO -0.48 0.05 0.47 0.22 -1.14 0.00 0.00 176.83 175.96 1bxr h TYR 101 N 0.24 1.05 -0.51 3.45 3.20 -0.52 0.14 116.97 124.02 1bxr h TYR 101 Ca 0.22 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1bxr h TYR 101 Cb 0.27 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1bxr h TYR 101 CO -0.20 0.71 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.85 1bxr h LEU 102 N 1.09 0.97 -0.15 2.82 3.38 -0.12 -0.78 115.31 122.52 1bxr h LEU 102 Ca 0.28 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1bxr h LEU 102 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1bxr h LEU 102 CO -0.05 1.10 0.02 0.11 0.09 0.00 0.00 178.44 179.71 1bxr h LYS 103 N 0.83 0.25 -0.98 1.13 1.57 -0.69 0.70 116.57 119.37 1bxr h LYS 103 Ca 0.13 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1bxr h LYS 103 Cb 0.66 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 1bxr h LYS 103 CO 0.05 0.43 0.62 -0.09 -0.57 0.00 0.00 179.45 179.89 1bxr h ARG 104 N 0.03 0.91 -0.08 3.15 2.43 -0.60 0.32 114.38 120.55 1bxr h ARG 104 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bxr h ARG 104 Cb 0.30 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1bxr h ARG 104 CO 0.00 0.61 0.00 0.72 -1.51 0.00 0.00 179.97 179.79 1bxr n HIS 105 N -4.61 0.09 -3.58 2.20 8.25 -0.31 -4.89 115.22 112.37 1bxr n HIS 105 Ca 0.19 -0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 1bxr n HIS 105 Cb 0.37 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.56 1bxr n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bxr n ASN 106 N -0.13 -5.05 -4.68 0.41 3.02 0.11 -4.95 115.26 103.99 1bxr n ASN 106 Ca 0.17 -0.59 -0.37 0.00 -0.03 0.00 0.00 54.58 53.77 1bxr n ASN 106 Cb 0.25 -4.95 -0.09 0.00 -0.61 0.00 0.00 39.78 34.38 1bxr n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bxr s ILE 107 N -3.34 5.33 -0.07 2.41 -1.09 0.23 -4.72 121.20 119.95 1bxr s ILE 107 Ca 0.43 0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 58.88 1bxr s ILE 107 Cb -0.19 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1bxr s ILE 107 CO 0.74 0.35 1.19 -0.69 -1.23 0.00 0.00 174.94 175.30 1bxr s VAL 108 N 0.92 4.29 -0.03 2.92 1.01 -1.26 0.22 120.40 128.47 1bxr s VAL 108 Ca 0.11 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.65 1bxr s VAL 108 Cb -0.13 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1bxr s VAL 108 CO 0.04 -0.01 0.12 0.00 0.00 0.00 0.00 175.10 175.25 1bxr s ALA 109 N 2.28 -0.28 0.16 5.51 0.00 -1.26 -3.04 121.76 125.13 1bxr s ALA 109 Ca 0.55 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.81 1bxr s ALA 109 Cb -0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1bxr s ALA 109 CO 0.21 -0.09 -0.18 -1.50 0.00 0.00 0.00 175.76 174.20 1bxr s ILE 110 N -0.31 2.76 0.28 0.00 2.07 -0.26 0.10 121.20 125.83 1bxr s ILE 110 Ca -0.04 -1.75 0.02 0.00 -1.41 0.00 0.00 60.65 57.47 1bxr s ILE 110 Cb -0.03 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.20 1bxr s ILE 110 CO 0.00 -0.04 0.13 0.00 -1.91 0.00 0.00 174.94 173.12 1bxr s ALA 111 N -1.50 1.82 -0.79 1.50 0.00 0.49 -2.59 121.76 120.69 1bxr s ALA 111 Ca 0.21 -1.79 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 1bxr s ALA 111 Cb -0.09 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1bxr s ALA 111 CO 0.11 -0.49 0.22 -0.25 0.00 0.00 0.00 175.76 175.35 1bxr n ASP 112 N -0.68 -3.68 -4.57 0.00 8.00 -0.82 0.41 116.55 115.21 1bxr n ASP 112 Ca 0.00 -0.10 -0.25 0.00 0.71 0.00 0.00 54.79 55.15 1bxr n ASP 112 Cb 0.66 -2.68 -0.09 0.00 -0.02 0.00 0.00 41.12 38.98 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 -2.75 2.53 -1.06 0.53 -4.36 -1.24 -4.69 121.20 110.15 1bxr s ILE 113 Ca 0.11 -2.13 -0.23 0.00 -0.26 0.00 0.00 60.65 58.14 1bxr s ILE 113 Cb -0.05 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1bxr s ILE 113 CO 0.13 -0.25 1.81 -0.62 0.24 0.00 0.00 174.94 176.26 1bxr s ASP 114 N -3.64 5.62 0.41 4.36 -1.08 -1.26 -4.43 116.67 116.66 1bxr s ASP 114 Ca 0.33 -1.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.14 1bxr s ASP 114 Cb -0.01 -2.57 0.87 0.00 -1.46 0.00 0.00 42.92 39.76 1bxr s ASP 114 CO 0.18 -2.37 1.91 0.71 0.52 0.00 0.00 175.17 176.12 1bxr h THR 115 N 6.63 1.19 -0.32 1.71 1.35 -1.92 -2.92 112.91 118.62 1bxr h THR 115 Ca 0.20 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1bxr h THR 115 Cb 0.97 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1bxr h THR 115 CO 1.29 0.27 0.14 -0.09 -0.25 0.00 0.00 175.52 176.88 1bxr h ARG 116 N 0.00 0.47 -0.60 4.72 2.43 -1.91 0.20 114.38 119.70 1bxr h ARG 116 Ca -0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1bxr h ARG 116 Cb 0.48 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1bxr h ARG 116 CO 0.04 0.46 0.31 -0.22 -1.51 0.00 0.00 179.97 179.05 1bxr h LYS 117 N 0.37 0.82 -0.10 0.20 3.64 -1.94 0.20 116.57 119.76 1bxr h LYS 117 Ca 0.11 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1bxr h LYS 117 Cb 0.16 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1bxr h LYS 117 CO -0.01 0.62 -0.08 1.25 -2.27 0.00 0.00 179.45 178.96 1bxr h LEU 118 N 0.83 0.25 0.19 5.20 5.85 -1.30 -2.14 115.31 124.18 1bxr h LEU 118 Ca 0.21 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1bxr h LEU 118 Cb 0.04 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1bxr h LEU 118 CO -0.03 0.65 -0.34 0.74 -0.34 0.00 0.00 178.44 179.12 1bxr h THR 119 N -0.15 0.30 -0.77 1.05 2.02 -0.08 -1.21 112.91 114.06 1bxr h THR 119 Ca 0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.36 1bxr h THR 119 Cb 0.57 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1bxr h THR 119 CO 0.02 0.00 0.52 0.03 0.37 0.00 0.00 175.52 176.46 1bxr h ARG 120 N -0.61 0.36 0.04 6.66 3.08 -0.97 0.13 114.38 123.06 1bxr h ARG 120 Ca 0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bxr h ARG 120 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1bxr h ARG 120 CO -0.15 0.24 -0.02 1.25 -1.07 0.00 0.00 179.97 180.21 1bxr h LEU 121 N 0.37 -0.05 -0.31 3.04 5.85 -0.56 0.31 115.31 123.96 1bxr h LEU 121 Ca 0.38 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1bxr h LEU 121 Cb 0.96 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1bxr h LEU 121 CO -0.12 0.34 0.13 -0.07 -0.34 0.00 0.00 178.44 178.38 1bxr h LEU 122 N -0.44 0.41 -0.71 2.25 3.38 -0.66 1.20 115.31 120.75 1bxr h LEU 122 Ca -0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1bxr h LEU 122 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1bxr h LEU 122 CO 0.01 0.45 0.24 -0.09 0.09 0.00 0.00 178.44 179.14 1bxr h ARG 123 N 0.35 1.09 0.13 1.13 2.43 -0.77 1.21 114.38 119.95 1bxr h ARG 123 Ca 0.10 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1bxr h ARG 123 Cb 0.16 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bxr h ARG 123 CO -0.01 0.92 -0.06 0.93 -1.51 0.00 0.00 179.97 180.24 1bxr h GLU 124 N 1.03 -0.17 -0.61 0.20 4.39 0.24 -3.33 114.58 116.33 1bxr h GLU 124 Ca 0.23 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1bxr h GLU 124 Cb 0.27 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1bxr h GLU 124 CO -0.01 0.28 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 1bxr n LYS 125 N -4.92 2.70 -0.15 2.33 5.02 0.41 -5.07 118.16 118.47 1bxr n LYS 125 Ca -0.08 -2.48 0.02 0.00 -2.02 0.00 0.00 58.31 53.75 1bxr n LYS 125 Cb 0.27 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.40 -2.26 3.52 0.72 0.00 0.42 -4.92 105.19 104.06 1bxr n GLY 126 Ca 0.21 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.46 -0.91 -2.62 4.61 0.00 0.08 -4.53 120.51 114.67 1bxr n ALA 127 Ca -0.01 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1bxr n ALA 127 Cb 0.07 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.66 0.52 0.16 0.00 -0.21 -1.26 -5.02 119.66 112.18 1bxr s GLN 128 Ca 0.63 -0.84 -0.05 0.00 0.02 0.00 0.00 55.36 55.11 1bxr s GLN 128 Cb -0.63 0.19 -0.06 0.00 1.00 0.00 0.00 33.01 33.51 1bxr s GLN 128 CO 0.58 -0.11 0.40 -0.80 -2.12 0.00 0.00 175.29 173.24 1bxr s ASN 129 N -2.16 6.50 0.36 5.90 0.01 -1.26 0.38 114.94 124.66 1bxr s ASN 129 Ca -0.05 0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 52.71 1bxr s ASN 129 Cb -0.01 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.55 1bxr s ASN 129 CO -0.05 0.03 0.48 -0.83 -1.51 0.00 0.00 177.10 175.21 1bxr s GLY 130 N -2.50 1.65 -0.01 0.66 0.00 0.78 -0.46 107.32 107.44 1bxr s GLY 130 Ca 0.42 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.53 1bxr s GLY 130 CO 0.25 -1.05 -0.03 0.00 0.00 0.00 0.00 173.10 172.27 1bxr s ILE 132 N 0.30 3.55 -0.16 0.00 1.01 0.81 0.07 121.20 126.77 1bxr s ILE 132 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1bxr s ILE 132 Cb -0.06 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1bxr s ILE 132 CO -0.01 0.45 -0.18 -0.63 0.00 0.00 0.00 174.94 174.58 1bxr s ILE 133 N 1.04 2.38 -0.16 2.92 1.01 0.24 -0.84 121.20 127.78 1bxr s ILE 133 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1bxr s ILE 133 Cb -0.15 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1bxr s ILE 133 CO 0.00 0.52 -0.17 0.00 0.00 0.00 0.00 174.94 175.30 1bxr s ALA 134 N 1.02 2.42 0.00 9.38 0.00 0.64 0.04 121.76 135.27 1bxr s ALA 134 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1bxr s ALA 134 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1bxr s ALA 134 CO -0.05 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1bxr n GLY 135 N 4.24 -1.74 0.06 0.00 0.00 -0.42 -1.36 105.19 105.97 1bxr n GLY 135 Ca -0.20 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 1bxr n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bxr h ASP 136 N 0.00 -0.22 -3.59 1.61 3.32 -1.95 -3.30 116.42 112.29 1bxr h ASP 136 Ca 0.00 0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.46 1bxr h ASP 136 Cb 0.00 0.09 -0.41 0.00 0.22 0.00 0.00 39.33 39.23 1bxr h ASP 136 CO 0.00 -0.05 -0.68 0.20 -1.72 0.00 0.00 179.24 176.98 1bxr s ASN 137 N -2.94 3.96 0.28 6.45 -0.87 -1.26 -4.69 114.94 115.86 1bxr s ASN 137 Ca -0.02 -3.08 -0.30 0.00 -1.57 0.00 0.00 52.86 47.90 1bxr s ASN 137 Cb 0.01 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.25 39.82 1bxr s ASN 137 CO 0.07 -0.20 1.40 -2.84 -2.57 0.00 0.00 177.10 172.96 1bxr s PRO 138 N -0.31 4.29 -0.61 -0.60 0.02 -1.26 -4.93 135.00 131.60 1bxr s PRO 138 Ca 0.20 2.28 -0.21 0.00 0.02 0.00 0.00 61.00 63.30 1bxr s PRO 138 Cb -0.18 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.33 1bxr s PRO 138 CO -0.05 -0.35 0.81 0.34 -0.33 0.00 0.00 177.00 177.41 1bxr s ASP 139 N 0.09 6.19 0.36 2.53 2.15 -1.26 -4.95 116.67 121.77 1bxr s ASP 139 Ca 0.56 -1.17 0.09 0.00 0.43 0.00 0.00 52.55 52.46 1bxr s ASP 139 Cb -0.41 -2.35 0.82 0.00 -0.30 0.00 0.00 42.92 40.68 1bxr s ASP 139 CO 0.47 -1.23 1.88 0.00 -0.17 0.00 0.00 175.17 176.12 1bxr h ALA 140 N 9.32 1.83 -0.09 3.66 0.00 -2.00 -0.67 119.26 131.32 1bxr h ALA 140 Ca -0.29 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1bxr h ALA 140 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1bxr h ALA 140 CO 1.12 -0.06 -0.56 0.00 0.00 0.00 0.00 179.25 179.75 1bxr h ALA 141 N 1.60 0.89 -0.39 0.00 0.00 -2.00 -2.49 119.26 116.87 1bxr h ALA 141 Ca 0.44 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1bxr h ALA 141 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1bxr h ALA 141 CO -0.19 0.70 -0.10 1.25 0.00 0.00 0.00 179.25 180.91 1bxr h LEU 142 N 0.20 0.76 -0.15 0.00 5.85 -1.61 -1.70 115.31 118.66 1bxr h LEU 142 Ca 0.00 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1bxr h LEU 142 Cb 1.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1bxr h LEU 142 CO 0.09 0.95 -0.12 0.00 -0.34 0.00 0.00 178.44 179.01 1bxr h ALA 143 N 0.84 -0.01 -0.47 1.25 0.00 -1.10 0.13 119.26 119.90 1bxr h ALA 143 Ca 0.10 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1bxr h ALA 143 Cb 0.62 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1bxr h ALA 143 CO 0.04 -0.57 0.12 1.25 0.00 0.00 0.00 179.25 180.09 1bxr h LEU 144 N -0.14 0.05 0.20 0.00 5.85 -1.35 0.22 115.31 120.14 1bxr h LEU 144 Ca 0.10 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1bxr h LEU 144 Cb 0.28 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1bxr h LEU 144 CO -0.23 0.06 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.42 1bxr h GLU 145 N 0.26 -0.69 0.00 1.25 4.81 -0.65 0.56 114.58 120.12 1bxr h GLU 145 Ca 0.23 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1bxr h GLU 145 Cb 0.28 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1bxr h GLU 145 CO -0.28 -0.46 -0.07 0.87 -0.73 0.00 0.00 179.01 178.34 1bxr h LYS 146 N -0.71 0.00 -0.02 1.92 1.57 -0.10 0.49 116.57 119.72 1bxr h LYS 146 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1bxr h LYS 146 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1bxr h LYS 146 CO -0.20 0.07 -0.15 0.00 -0.57 0.00 0.00 179.45 178.60 1bxr h ALA 147 N 1.93 0.05 -0.97 3.86 0.00 0.52 -2.89 119.26 121.76 1bxr h ALA 147 Ca -0.00 -0.40 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1bxr h ALA 147 Cb 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1bxr h ALA 147 CO 0.01 0.00 0.62 0.00 0.00 0.00 0.00 179.25 179.88 1bxr h ARG 148 N -0.48 0.90 0.00 0.00 3.08 0.57 0.15 114.38 118.60 1bxr h ARG 148 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1bxr h ARG 148 Cb 0.84 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1bxr h ARG 148 CO 0.03 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1bxr n ALA 149 N -2.37 1.89 -1.84 0.04 0.00 0.12 -4.81 120.51 113.54 1bxr n ALA 149 Ca 0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1bxr n ALA 149 Cb 0.36 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1bxr n ALA 149 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1bxr s PHE 150 N -2.95 2.95 0.05 0.00 5.36 0.53 -4.90 117.98 119.02 1bxr s PHE 150 Ca 0.10 1.04 -0.30 0.00 -0.96 0.00 0.00 56.93 56.81 1bxr s PHE 150 Cb 0.13 -3.86 -0.18 0.00 -0.34 0.00 0.00 43.02 38.77 1bxr s PHE 150 CO 0.34 -2.75 1.49 -1.35 -1.46 0.00 0.00 175.22 171.49 1bxr h PRO 151 N 4.68 -0.71 0.00 10.12 0.10 -1.87 -3.50 132.00 140.82 1bxr h PRO 151 Ca -0.47 0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.68 1bxr h PRO 151 Cb 1.22 0.16 0.00 0.00 0.10 0.00 0.00 31.00 32.48 1bxr h PRO 151 CO 0.76 -0.43 0.00 0.41 0.10 0.00 0.00 178.00 178.84 1bxr n GLY 152 N -1.10 3.55 0.00 -0.55 0.00 -1.26 -4.83 105.19 100.99 1bxr n GLY 152 Ca -0.12 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.58 1bxr n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxr n LEU 153 N 0.00 0.00 -4.62 0.99 4.77 -1.26 -4.36 117.00 112.52 1bxr n LEU 153 Ca 0.00 0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 56.03 1bxr n LEU 153 Cb 0.00 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1bxr n LEU 153 CO 0.00 -0.37 1.46 0.21 -1.33 0.00 0.00 177.39 177.36 1bxr s ASN 154 N -2.96 6.16 0.00 -1.43 3.04 -1.26 -0.70 114.94 117.78 1bxr s ASN 154 Ca 0.03 1.56 0.00 0.00 0.04 0.00 0.00 52.86 54.49 1bxr s ASN 154 Cb 0.04 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 1bxr s ASN 154 CO 0.12 -1.45 0.00 0.61 -3.04 0.00 0.00 177.10 173.33 1bxr n GLY 155 N 5.00 0.43 3.45 1.21 0.00 -1.26 -5.03 105.19 109.00 1bxr n GLY 155 Ca 0.21 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.89 3.31 -0.43 1.61 0.00 0.13 -4.89 119.30 117.14 1bxr s MET 156 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 55.69 54.70 1bxr s MET 156 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 34.83 31.22 1bxr s MET 156 CO 0.00 -0.46 0.84 0.34 0.00 0.00 0.00 175.02 175.75 1bxr s ASP 157 N 1.63 6.48 -0.05 1.11 2.15 -1.26 0.11 116.67 126.84 1bxr s ASP 157 Ca 0.05 0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.27 1bxr s ASP 157 Cb -0.17 -2.41 -0.23 0.00 -0.30 0.00 0.00 42.92 39.80 1bxr s ASP 157 CO 0.07 -0.93 0.27 0.18 -0.17 0.00 0.00 175.17 174.60 1bxr n LEU 158 N 6.82 0.00 -0.19 -1.34 4.77 -1.26 -4.56 117.00 121.25 1bxr n LEU 158 Ca 0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1bxr n LEU 158 Cb 0.48 0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1bxr n LEU 158 CO 0.60 0.09 0.82 0.00 -1.33 0.00 0.00 177.39 177.57 1bxr h ALA 159 N 1.27 0.53 -0.01 -1.18 0.00 -1.78 -0.21 119.26 117.89 1bxr h ALA 159 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bxr h ALA 159 Cb 1.04 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1bxr h ALA 159 CO 0.01 -0.40 0.01 1.57 0.00 0.00 0.00 179.25 180.43 1bxr h LYS 160 N 0.09 0.00 0.00 0.00 2.10 -1.88 -2.26 116.57 114.62 1bxr h LYS 160 Ca 0.30 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.84 1bxr h LYS 160 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1bxr h LYS 160 CO -0.52 0.00 -0.52 0.93 -2.00 0.00 0.00 179.45 177.35 1bxr h GLU 161 N 0.00 0.00 0.00 0.07 4.39 -1.30 -3.33 114.58 114.41 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 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1bxr h GLU 161 CO -0.00 0.52 -0.59 1.33 -1.16 0.00 0.00 179.01 179.11 1bxr n VAL 162 N -3.29 0.00 -0.80 3.13 0.24 -1.07 -5.02 118.33 111.51 1bxr n VAL 162 Ca 0.01 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 1bxr n VAL 162 Cb 0.71 0.95 0.17 0.00 -1.47 0.00 0.00 33.84 34.20 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 -2.10 2.30 0.52 3.34 -1.32 -0.87 -4.69 115.64 112.81 1bxr s THR 163 Ca 0.04 0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.41 1bxr s THR 163 Cb 0.08 -2.25 -0.07 0.00 -1.51 0.00 0.00 72.50 68.76 1bxr s THR 163 CO 0.46 -0.13 1.12 0.28 -2.21 0.00 0.00 174.62 174.14 1bxr s THR 164 N -2.68 3.28 -0.05 5.08 -1.32 -1.26 -5.00 115.64 113.69 1bxr s THR 164 Ca 0.66 0.82 -0.12 0.00 -1.21 0.00 0.00 61.69 61.84 1bxr s THR 164 Cb -0.22 -3.35 -0.07 0.00 -1.51 0.00 0.00 72.50 67.36 1bxr s THR 164 CO 0.59 -0.15 0.49 0.00 -2.21 0.00 0.00 174.62 173.34 1bxr h ALA 165 N 1.41 -0.41 -3.89 11.08 0.00 -1.99 -3.39 119.26 122.07 1bxr h ALA 165 Ca -0.50 -0.10 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 1bxr h ALA 165 Cb 1.25 0.16 -0.21 0.00 0.00 0.00 0.00 17.79 18.99 1bxr h ALA 165 CO 0.58 -0.38 -0.75 -1.21 0.00 0.00 0.00 179.25 177.49 1bxr s GLU 166 N -2.91 2.49 0.75 0.00 2.02 -1.26 -4.84 118.70 114.95 1bxr s GLU 166 Ca -0.06 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.06 1bxr s GLU 166 Cb 0.01 -2.40 0.03 0.00 0.10 0.00 0.00 34.13 31.86 1bxr s GLU 166 CO 0.19 0.61 1.04 0.00 0.02 0.00 0.00 175.26 177.12 1bxr n ALA 167 N 2.05 -0.17 -3.15 5.21 0.00 -1.26 -4.87 120.51 118.33 1bxr n ALA 167 Ca -0.17 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1bxr n ALA 167 Cb 0.52 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 1bxr n ALA 167 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1bxr s TYR 168 N -1.90 0.44 -0.11 0.00 1.13 0.32 -4.93 117.35 112.30 1bxr s TYR 168 Ca 0.73 -0.79 -0.02 0.00 -1.41 0.00 0.00 57.07 55.58 1bxr s TYR 168 Cb -0.33 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 1bxr s TYR 168 CO 0.50 -1.01 -0.03 0.45 -2.51 0.00 0.00 175.55 172.95 1bxr s SER 169 N -3.04 4.93 -0.07 -0.18 0.15 -1.26 0.37 113.70 114.61 1bxr s SER 169 Ca 0.23 0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1bxr s SER 169 Cb -0.01 -1.50 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1bxr s SER 169 CO 0.10 0.30 -0.15 0.86 1.20 0.00 0.00 173.24 175.55 1bxr s TRP 170 N -0.42 1.67 -0.02 3.44 -0.11 -0.43 -4.96 118.94 118.12 1bxr s TRP 170 Ca 0.07 -0.60 0.02 0.00 1.22 0.00 0.00 56.10 56.81 1bxr s TRP 170 Cb -0.12 -1.18 0.03 0.00 -1.50 0.00 0.00 33.47 30.71 1bxr s TRP 170 CO 0.02 -0.27 0.86 0.25 -4.62 0.00 0.00 176.95 173.19 1bxr n THR 171 N 3.62 0.29 -3.24 5.86 -2.24 -1.26 -0.32 114.28 117.00 1bxr n THR 171 Ca -0.21 -0.33 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 1bxr n THR 171 Cb 0.52 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.40 4.31 0.95 -0.78 0.74 -1.26 -1.59 119.66 121.62 1bxr s GLN 172 Ca 0.04 0.65 -0.15 0.00 0.05 0.00 0.00 55.36 55.95 1bxr s GLN 172 Cb 0.03 -3.37 0.20 0.00 1.10 0.00 0.00 33.01 30.97 1bxr s GLN 172 CO 0.00 0.30 1.30 0.20 -0.55 0.00 0.00 175.29 176.54 1bxr s GLY 173 N 0.09 1.79 0.76 2.59 0.00 -1.26 -4.02 107.32 107.26 1bxr s GLY 173 Ca 0.30 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1bxr s GLY 173 CO 0.15 -0.52 1.08 -0.56 0.00 0.00 0.00 173.10 173.25 1bxr s SER 174 N -4.90 4.80 0.43 1.64 0.01 -1.26 -4.51 113.70 109.91 1bxr s SER 174 Ca 0.74 1.53 -0.19 0.00 1.31 0.00 0.00 55.95 59.34 1bxr s SER 174 Cb -0.03 -2.32 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 1bxr s SER 174 CO 0.52 -1.80 0.92 0.86 0.41 0.00 0.00 173.24 174.16 1bxr s TRP 175 N -3.05 3.34 0.05 2.43 -0.00 -1.26 -4.09 118.94 116.37 1bxr s TRP 175 Ca 0.60 1.53 0.04 0.00 -0.00 0.00 0.00 56.10 58.26 1bxr s TRP 175 Cb -0.15 -2.79 -0.03 0.00 -0.00 0.00 0.00 33.47 30.50 1bxr s TRP 175 CO 0.55 -0.12 -0.12 0.95 -0.00 0.00 0.00 176.95 178.21 1bxr s THR 176 N -2.23 0.91 0.19 5.86 -4.23 0.22 -4.91 115.64 111.45 1bxr s THR 176 Ca 0.60 -1.15 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 1bxr s THR 176 Cb -0.09 -0.89 0.10 0.00 1.34 0.00 0.00 72.50 72.95 1bxr s THR 176 CO 0.17 -0.22 1.73 0.25 -0.54 0.00 0.00 174.62 176.00 1bxr h LEU 177 N 4.52 0.93 0.11 4.79 5.85 -1.99 1.90 115.31 131.43 1bxr h LEU 177 Ca -0.38 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1bxr h LEU 177 Cb 1.19 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1bxr h LEU 177 CO 0.41 0.87 -0.05 0.74 -0.34 0.00 0.00 178.44 180.07 1bxr h THR 178 N 0.94 1.08 0.00 1.05 2.02 -2.04 -3.37 112.91 112.59 1bxr h THR 178 Ca 0.22 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1bxr h THR 178 Cb 0.25 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1bxr h THR 178 CO -0.01 0.27 -1.06 0.61 0.37 0.00 0.00 175.52 175.69 1bxr n GLY 179 N 0.48 -1.13 7.00 2.16 0.00 -1.20 -5.07 105.19 107.44 1bxr n GLY 179 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1bxr n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 180 N 1.41 0.23 3.67 -0.02 0.00 0.64 -4.58 105.19 106.55 1bxr n GLY 180 Ca 0.02 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 4.17 1.13 0.99 1.43 -1.26 -0.61 118.68 124.53 1bxr s LEU 181 Ca 0.00 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.42 1bxr s LEU 181 Cb 0.00 -3.55 0.26 0.00 0.03 0.00 0.00 46.19 42.93 1bxr s LEU 181 CO 0.00 -0.58 1.05 -2.16 0.23 0.00 0.00 176.35 174.90 1bxr s PRO 182 N 2.69 -0.62 0.27 1.29 0.04 -1.26 -5.01 135.00 132.40 1bxr s PRO 182 Ca 0.46 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 1bxr s PRO 182 Cb -0.17 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 1bxr s PRO 182 CO 0.12 -3.44 0.72 -0.65 0.04 0.00 0.00 177.00 173.78 1bxr s GLN 183 N -4.81 4.09 0.57 4.56 -0.21 -1.26 -4.80 119.66 117.80 1bxr s GLN 183 Ca 0.67 0.73 -0.21 0.00 0.02 0.00 0.00 55.36 56.58 1bxr s GLN 183 Cb -0.20 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1bxr s GLN 183 CO 0.60 0.27 1.34 0.00 -2.12 0.00 0.00 175.29 175.38 1bxr s ALA 184 N -1.78 2.70 0.51 6.09 0.00 -1.26 -4.61 121.76 123.41 1bxr s ALA 184 Ca 0.49 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.70 1bxr s ALA 184 Cb -0.13 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1bxr s ALA 184 CO 0.19 -1.43 0.81 0.15 0.00 0.00 0.00 175.76 175.48 1bxr s LYS 185 N -3.04 3.34 -0.03 0.00 1.02 -0.62 -4.96 119.74 115.44 1bxr s LYS 185 Ca 0.75 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 56.58 1bxr s LYS 185 Cb -0.39 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1bxr s LYS 185 CO 0.45 -0.35 0.80 0.15 -0.92 0.00 0.00 175.35 175.48 1bxr s LYS 186 N -4.80 4.49 0.37 1.68 3.01 -1.26 -4.77 119.74 118.46 1bxr s LYS 186 Ca 0.49 1.08 0.21 0.00 -1.01 0.00 0.00 55.97 56.74 1bxr s LYS 186 Cb -0.10 -3.44 1.32 0.00 -1.01 0.00 0.00 37.83 34.60 1bxr s LYS 186 CO 0.45 0.05 1.59 0.93 0.51 0.00 0.00 175.35 178.88 1bxr h GLU 187 N 6.63 0.05 0.00 1.68 5.08 -1.96 0.60 114.58 126.66 1bxr h GLU 187 Ca -0.41 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1bxr h GLU 187 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1bxr h GLU 187 CO 0.75 0.03 0.00 0.38 -1.00 0.00 0.00 179.01 179.17 1bxr h ASP 188 N 0.05 0.00 0.48 1.42 3.04 -2.00 -0.44 116.42 118.98 1bxr h ASP 188 Ca 0.83 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.62 1bxr h ASP 188 Cb 2.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.49 1bxr h ASP 188 CO -0.72 0.00 -0.08 -0.62 -2.04 0.00 0.00 179.24 175.77 1bxr n GLU 189 N -2.91 0.52 -3.80 4.15 1.02 0.21 -4.69 120.64 115.13 1bxr n GLU 189 Ca -0.01 -0.12 -0.37 0.00 -0.02 0.00 0.00 57.16 56.64 1bxr n GLU 189 Cb 0.15 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 1bxr n GLU 189 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bxr s LEU 190 N -2.57 4.44 0.00 -4.62 1.43 -0.17 -5.00 118.68 112.19 1bxr s LEU 190 Ca 0.27 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1bxr s LEU 190 Cb 0.20 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1bxr s LEU 190 CO 0.49 -0.37 0.63 -2.65 0.23 0.00 0.00 176.35 174.68 1bxr n PRO 191 N 4.70 0.00 -1.12 1.29 -0.01 -1.13 -4.65 135.00 134.09 1bxr n PRO 191 Ca -0.10 0.37 -0.32 0.00 -0.01 0.00 0.00 63.50 63.43 1bxr n PRO 191 Cb 0.43 -1.13 0.12 0.00 -0.01 0.00 0.00 33.50 32.91 1bxr n PRO 191 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 175.50 175.43 1bxr s PHE 192 N -1.53 2.08 -0.26 6.00 0.08 -0.65 -4.87 117.98 118.84 1bxr s PHE 192 Ca 0.00 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.70 1bxr s PHE 192 Cb 0.00 -3.27 0.08 0.00 -0.57 0.00 0.00 43.02 39.26 1bxr s PHE 192 CO 0.00 -2.37 0.06 -1.58 -0.10 0.00 0.00 175.22 171.23 1bxr s HIS 193 N -2.55 1.49 -0.01 0.36 5.65 -1.26 -0.29 115.29 118.68 1bxr s HIS 193 Ca 0.67 -1.39 0.00 0.00 0.25 0.00 0.00 55.06 54.59 1bxr s HIS 193 Cb -0.22 -1.43 -0.04 0.00 -1.18 0.00 0.00 32.58 29.72 1bxr s HIS 193 CO 0.53 -0.77 0.04 0.08 -0.65 0.00 0.00 174.74 173.97 1bxr s VAL 194 N 1.70 4.42 -0.21 0.89 1.01 0.43 -0.66 120.40 127.98 1bxr s VAL 194 Ca 0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1bxr s VAL 194 Cb -0.17 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1bxr s VAL 194 CO -0.17 0.38 0.07 -0.69 0.00 0.00 0.00 175.10 174.68 1bxr s VAL 195 N -1.13 4.61 -0.13 2.92 1.01 -0.87 -1.18 120.40 125.63 1bxr s VAL 195 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1bxr s VAL 195 Cb -0.12 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1bxr s VAL 195 CO 0.11 0.40 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 1bxr s ALA 196 N 0.89 2.21 0.08 5.51 0.00 0.13 -0.55 121.76 130.03 1bxr s ALA 196 Ca 0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1bxr s ALA 196 Cb -0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1bxr s ALA 196 CO 0.03 0.00 0.96 0.71 0.00 0.00 0.00 175.76 177.46 1bxr s TYR 197 N 0.77 3.77 -0.66 0.00 1.51 -0.41 -0.52 117.35 121.82 1bxr s TYR 197 Ca -0.08 1.76 -0.16 0.00 -1.01 0.00 0.00 57.07 57.57 1bxr s TYR 197 Cb -0.16 -3.06 0.15 0.00 -0.11 0.00 0.00 41.96 38.78 1bxr s TYR 197 CO -0.01 0.16 0.66 0.34 -1.11 0.00 0.00 175.55 175.59 1bxr s ASP 198 N 0.24 6.37 -0.01 2.29 2.15 0.28 -3.14 116.67 124.85 1bxr s ASP 198 Ca 0.48 -1.96 0.20 0.00 0.43 0.00 0.00 52.55 51.69 1bxr s ASP 198 Cb -0.23 -2.25 0.58 0.00 -0.30 0.00 0.00 42.92 40.73 1bxr s ASP 198 CO 0.29 -0.86 1.49 0.49 -0.17 0.00 0.00 175.17 176.41 1bxr n PHE 199 N 5.26 0.92 0.00 -5.34 3.72 -1.26 -3.23 117.46 117.52 1bxr n PHE 199 Ca -0.03 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 1bxr n PHE 199 Cb 0.43 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.50 0.73 3.77 1.37 0.00 -1.15 -3.97 105.19 107.44 1bxr n GLY 200 Ca 0.22 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.56 3.35 0.27 4.61 0.00 -1.20 -4.16 121.76 124.06 1bxr s ALA 201 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1bxr s ALA 201 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1bxr s ALA 201 CO 0.00 -0.63 1.01 0.15 0.00 0.00 0.00 175.76 176.30 1bxr s LYS 202 N -1.99 4.73 0.51 0.00 1.02 -1.26 -4.88 119.74 117.86 1bxr s LYS 202 Ca 0.52 1.62 0.23 0.00 0.02 0.00 0.00 55.97 58.36 1bxr s LYS 202 Cb -0.37 -3.19 1.37 0.00 -0.52 0.00 0.00 37.83 35.12 1bxr s LYS 202 CO 0.48 0.35 2.09 0.00 -0.92 0.00 0.00 175.35 177.35 1bxr h ARG 203 N 3.90 0.00 0.00 1.68 3.08 -0.63 -2.20 114.38 120.21 1bxr h ARG 203 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 1bxr h ARG 203 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1bxr h ARG 203 CO 0.67 0.11 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.54 1bxr h ASN 204 N 0.00 0.00 0.06 7.04 -1.24 -1.93 -0.76 115.58 118.75 1bxr h ASN 204 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1bxr h ASN 204 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1bxr h ASN 204 CO 0.01 0.17 -0.03 0.40 -1.29 0.00 0.00 177.43 176.69 1bxr h ILE 205 N 0.00 0.99 -0.28 2.57 2.04 -1.73 -1.32 117.51 119.80 1bxr h ILE 205 Ca -0.00 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1bxr h ILE 205 Cb 0.34 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1bxr h ILE 205 CO 0.02 0.04 0.12 -0.07 0.00 0.00 0.00 178.15 178.27 1bxr h LEU 206 N -0.15 0.17 -0.59 1.44 3.38 -1.57 -1.14 115.31 116.84 1bxr h LEU 206 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1bxr h LEU 206 Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1bxr h LEU 206 CO 0.01 0.13 0.27 0.03 0.09 0.00 0.00 178.44 178.98 1bxr h ARG 207 N 0.27 0.86 0.00 1.13 3.08 -1.06 0.81 114.38 119.46 1bxr h ARG 207 Ca 0.12 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1bxr h ARG 207 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1bxr h ARG 207 CO -0.10 0.71 -0.35 0.52 -1.07 0.00 0.00 179.97 179.69 1bxr h MET 208 N 0.81 0.00 0.57 0.04 2.86 -0.99 0.36 114.93 118.58 1bxr h MET 208 Ca 0.20 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1bxr h MET 208 Cb 0.14 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1bxr h MET 208 CO -0.02 0.35 -0.27 -0.07 1.06 0.00 0.00 176.91 177.95 1bxr h LEU 209 N 0.00 -0.65 -1.56 1.22 3.38 -0.63 -2.58 115.31 114.50 1bxr h LEU 209 Ca -0.00 -0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.23 1bxr h LEU 209 Cb 0.62 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1bxr h LEU 209 CO 0.05 -0.26 0.71 0.58 0.09 0.00 0.00 178.44 179.60 1bxr h VAL 210 N -1.14 0.50 0.00 1.22 2.07 -0.66 1.71 116.25 119.95 1bxr h VAL 210 Ca -0.08 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1bxr h VAL 210 Cb 0.63 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1bxr h VAL 210 CO 0.13 0.05 -0.08 0.44 0.02 0.00 0.00 177.57 178.13 1bxr h ASP 211 N 0.27 0.00 -0.59 0.57 5.19 -0.02 -1.61 116.42 120.23 1bxr h ASP 211 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1bxr h ASP 211 Cb 1.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.21 1bxr h ASP 211 CO -0.21 0.08 0.00 0.54 -3.12 0.00 0.00 179.24 176.53 1bxr n ARG 212 N -4.25 4.21 -0.35 3.56 1.74 0.58 -4.92 116.66 117.23 1bxr n ARG 212 Ca -0.03 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 1bxr n ARG 212 Cb 0.16 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 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 0.86 0.80 3.86 -0.13 0.00 -0.61 -4.96 105.19 105.02 1bxr n GLY 213 Ca 0.26 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.84 3.70 0.15 0.00 1.70 0.60 -4.06 118.95 119.20 1bxr s ARG 215 Ca 0.25 -0.49 0.04 0.00 -0.47 0.00 0.00 55.73 55.06 1bxr s ARG 215 Cb -0.12 -3.04 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1bxr s ARG 215 CO 0.17 0.14 0.18 -0.51 -1.08 0.00 0.00 175.30 174.20 1bxr s LEU 216 N 0.65 3.98 -0.21 -1.89 1.43 0.57 -0.42 118.68 122.79 1bxr s LEU 216 Ca -0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1bxr s LEU 216 Cb -0.14 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.56 1bxr s LEU 216 CO 0.02 0.08 0.07 -0.89 0.23 0.00 0.00 176.35 175.86 1bxr s THR 217 N -1.70 0.31 -0.03 5.49 2.01 -0.33 -1.31 115.64 120.08 1bxr s THR 217 Ca 0.32 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1bxr s THR 217 Cb -0.11 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1bxr s THR 217 CO 0.25 -0.32 0.66 -0.63 -0.69 0.00 0.00 174.62 173.88 1bxr s ILE 218 N 1.95 4.97 0.08 1.82 -1.09 1.19 -0.69 121.20 129.42 1bxr s ILE 218 Ca 0.02 1.36 0.07 0.00 -2.23 0.00 0.00 60.65 59.87 1bxr s ILE 218 Cb -0.17 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1bxr s ILE 218 CO -0.13 0.33 -0.18 0.68 -1.23 0.00 0.00 174.94 174.42 1bxr s VAL 219 N 0.33 1.41 0.62 2.92 -7.23 0.32 0.12 120.40 118.89 1bxr s VAL 219 Ca 0.35 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 1bxr s VAL 219 Cb -0.18 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1bxr s VAL 219 CO 0.18 -0.09 1.12 -2.65 -0.31 0.00 0.00 175.10 173.35 1bxr n PRO 220 N 1.33 1.03 -0.35 4.82 -0.02 -1.26 0.99 135.00 141.54 1bxr n PRO 220 Ca -0.20 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1bxr n PRO 220 Cb 0.54 -2.34 0.26 0.00 -0.02 0.00 0.00 33.50 31.94 1bxr n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxr h ALA 221 N 0.56 1.57 0.00 3.55 0.00 -1.83 -2.08 119.26 121.03 1bxr h ALA 221 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1bxr h ALA 221 Cb 1.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bxr h ALA 221 CO 0.52 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.97 1bxr n GLN 222 N -4.64 1.00 -1.76 0.00 3.00 -1.26 -4.50 117.38 109.22 1bxr n GLN 222 Ca 0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 1bxr n GLN 222 Cb 0.40 -1.45 -0.00 0.00 0.00 0.00 0.00 30.24 29.18 1bxr n GLN 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1bxr n THR 223 N -0.95 1.75 -2.48 5.09 -1.04 -0.78 -4.92 114.28 110.94 1bxr n THR 223 Ca 0.22 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 1bxr n THR 223 Cb 0.10 -1.93 -0.04 0.00 -1.82 0.00 0.00 70.33 66.64 1bxr n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bxr s SER 224 N 0.01 7.23 0.23 8.00 1.04 -1.26 -4.92 113.70 124.04 1bxr s SER 224 Ca 0.56 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 59.09 1bxr s SER 224 Cb -0.49 -2.61 0.40 0.00 0.10 0.00 0.00 66.02 63.42 1bxr s SER 224 CO 0.60 -0.23 1.72 0.00 0.98 0.00 0.00 173.24 176.31 1bxr h ALA 225 N 4.80 0.93 -0.13 5.32 0.00 -1.92 0.21 119.26 128.46 1bxr h ALA 225 Ca -0.45 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1bxr h ALA 225 Cb 1.21 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 1bxr h ALA 225 CO 0.71 -0.25 -0.40 0.93 0.00 0.00 0.00 179.25 180.24 1bxr h GLU 226 N 0.36 -0.45 -1.00 0.00 3.07 -1.93 0.67 114.58 115.30 1bxr h GLU 226 Ca 0.38 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.40 1bxr h GLU 226 Cb 0.58 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.50 1bxr h GLU 226 CO -0.41 -0.30 0.63 -0.44 -1.40 0.00 0.00 179.01 177.08 1bxr h ASP 227 N -0.47 0.90 0.00 1.42 3.32 -1.47 -2.67 116.42 117.45 1bxr h ASP 227 Ca 0.08 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1bxr h ASP 227 Cb 0.61 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1bxr h ASP 227 CO -0.39 0.45 0.00 0.52 -1.72 0.00 0.00 179.24 178.10 1bxr n VAL 228 N -4.65 0.00 -0.61 -1.35 0.31 0.15 -3.22 118.33 108.96 1bxr n VAL 228 Ca 0.20 1.39 0.46 0.00 -0.01 0.00 0.00 64.34 66.38 1bxr n VAL 228 Cb 0.40 -2.37 0.71 0.00 -0.91 0.00 0.00 33.84 31.67 1bxr n VAL 228 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bxr n LEU 229 N -1.70 0.01 0.00 7.52 4.77 0.18 0.34 117.00 128.12 1bxr n LEU 229 Ca 0.00 0.89 0.06 0.00 -0.03 0.00 0.00 56.01 56.93 1bxr n LEU 229 Cb 0.00 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 40.95 1bxr n LEU 229 CO 0.00 -0.90 0.61 0.29 -1.33 0.00 0.00 177.39 176.05 1bxr n LYS 230 N -3.73 0.23 -0.00 3.23 5.02 -1.02 -1.81 118.16 120.07 1bxr n LYS 230 Ca 0.39 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1bxr n LYS 230 Cb 1.75 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 35.19 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 -1.19 2.64 -2.82 1.97 0.00 0.15 -5.01 117.12 112.86 1bxr n MET 231 Ca 0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.71 1bxr n MET 231 Cb 0.07 -1.12 0.01 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.33 -7.58 -4.83 7.83 5.03 -0.75 -4.98 115.26 108.66 1bxr n ASN 232 Ca 0.02 0.37 -0.36 0.00 0.87 0.00 0.00 54.58 55.48 1bxr n ASN 232 Cb 0.21 -5.13 -0.06 0.00 -1.02 0.00 0.00 39.78 33.78 1bxr n ASN 232 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1bxr s PRO 233 N -2.63 4.12 0.25 3.52 0.04 -1.26 -4.96 135.00 134.06 1bxr s PRO 233 Ca 0.18 0.68 0.25 0.00 0.04 0.00 0.00 61.00 62.15 1bxr s PRO 233 Cb -0.05 -2.92 0.85 0.00 0.04 0.00 0.00 34.50 32.42 1bxr s PRO 233 CO 0.72 0.44 1.76 -0.44 0.04 0.00 0.00 177.00 179.52 1bxr h ASP 234 N 3.52 0.00 -3.80 6.66 3.32 -1.27 -3.46 116.42 121.39 1bxr h ASP 234 Ca -0.48 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.73 1bxr h ASP 234 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.51 1bxr h ASP 234 CO 0.65 0.00 0.73 -0.83 -1.72 0.00 0.00 179.24 178.08 1bxr s GLY 235 N -3.62 -0.15 0.17 2.75 0.00 -1.22 -4.58 107.32 100.66 1bxr s GLY 235 Ca 0.08 2.21 0.08 0.00 0.00 0.00 0.00 44.72 47.09 1bxr s GLY 235 CO 0.54 0.95 -0.07 -0.42 0.00 0.00 0.00 173.10 174.10 1bxr s ILE 236 N -1.37 3.34 0.01 0.90 1.01 -0.36 -2.06 121.20 122.68 1bxr s ILE 236 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.16 1bxr s ILE 236 Cb -0.01 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1bxr s ILE 236 CO -0.03 -0.08 -0.05 0.12 0.00 0.00 0.00 174.94 174.90 1bxr s PHE 237 N -1.64 0.43 -0.27 3.97 5.36 0.29 -2.52 117.98 123.60 1bxr s PHE 237 Ca 0.25 -0.21 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 1bxr s PHE 237 Cb -0.09 -0.27 0.06 0.00 -0.34 0.00 0.00 43.02 42.38 1bxr s PHE 237 CO 0.16 -0.04 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.28 1bxr s LEU 238 N -0.58 3.60 0.00 6.12 1.43 0.21 -1.29 118.68 128.16 1bxr s LEU 238 Ca -0.03 -1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 51.42 1bxr s LEU 238 Cb -0.04 -1.57 0.30 0.00 0.03 0.00 0.00 46.19 44.91 1bxr s LEU 238 CO -0.00 -0.21 0.74 -1.54 0.23 0.00 0.00 176.35 175.57 1bxr n SER 239 N 4.42 -3.36 -4.96 2.29 3.41 -1.19 -1.08 113.62 113.15 1bxr n SER 239 Ca -0.12 -0.78 -0.22 0.00 -0.26 0.00 0.00 58.87 57.48 1bxr n SER 239 Cb 0.42 -0.80 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 1bxr n SER 239 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bxr s ASN 240 N -3.11 5.29 0.00 4.04 4.22 -1.21 -1.64 114.94 122.54 1bxr s ASN 240 Ca 0.55 0.11 0.00 0.00 -2.14 0.00 0.00 52.86 51.37 1bxr s ASN 240 Cb -0.09 -1.00 0.00 0.00 1.28 0.00 0.00 41.25 41.44 1bxr s ASN 240 CO 0.45 -1.15 0.00 0.61 -2.04 0.00 0.00 177.10 174.97 1bxr n GLY 241 N -2.40 0.77 3.91 0.45 0.00 -1.25 -2.93 105.19 103.74 1bxr n GLY 241 Ca 0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 1.60 1.99 1.61 0.04 -1.26 -4.69 135.00 132.30 1bxr s PRO 242 Ca 0.00 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1bxr s PRO 242 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1bxr s PRO 242 CO 0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 1bxr n GLY 243 N -3.41 -0.90 3.75 0.56 0.00 -1.26 -3.46 105.19 100.47 1bxr n GLY 243 Ca 0.10 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 7.62 0.03 1.61 -1.08 0.30 -4.89 116.67 116.26 1bxr s ASP 244 Ca 0.00 1.93 0.11 0.00 -0.52 0.00 0.00 52.55 54.07 1bxr s ASP 244 Cb 0.00 -2.61 -0.21 0.00 -1.46 0.00 0.00 42.92 38.64 1bxr s ASP 244 CO 0.00 0.12 0.90 1.55 0.52 0.00 0.00 175.17 178.26 1bxr h PRO 245 N 4.39 0.00 0.00 4.34 0.13 -1.87 -3.39 132.00 135.60 1bxr h PRO 245 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bxr h PRO 245 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bxr h PRO 245 CO 0.69 0.66 0.00 0.00 -0.23 0.00 0.00 178.00 179.12 1bxr n ALA 246 N -2.47 -0.06 0.28 -0.56 0.00 -1.26 -1.63 120.51 114.81 1bxr n ALA 246 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1bxr n ALA 246 Cb 1.00 0.43 0.48 0.00 0.00 0.00 0.00 19.45 21.36 1bxr n ALA 246 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bxr h PRO 247 N 0.00 0.00 -3.22 0.00 0.13 -1.90 -3.34 132.00 123.67 1bxr h PRO 247 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1bxr h PRO 247 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1bxr h PRO 247 CO 0.00 0.00 2.78 0.00 -0.23 0.00 0.00 178.00 180.55 1bxr h ASP 249 N 5.74 0.25 -0.04 0.00 3.04 -1.84 -1.53 116.42 122.03 1bxr h ASP 249 Ca 0.58 0.15 0.03 0.00 -3.24 0.00 0.00 57.03 54.56 1bxr h ASP 249 Cb 0.26 0.15 -0.04 0.00 -1.04 0.00 0.00 39.33 38.66 1bxr h ASP 249 CO 1.46 -0.01 -0.20 0.10 -2.04 0.00 0.00 179.24 178.54 1bxr h TYR 250 N 0.37 -0.54 -0.32 4.15 -0.00 -1.96 0.40 116.97 119.07 1bxr h TYR 250 Ca 0.53 0.02 -0.10 0.00 -0.00 0.00 0.00 58.73 59.18 1bxr h TYR 250 Cb 0.98 0.25 -0.01 0.00 -0.00 0.00 0.00 36.73 37.94 1bxr h TYR 250 CO -0.17 -0.29 -0.22 0.00 -0.00 0.00 0.00 178.16 177.48 1bxr h ALA 251 N 0.62 1.02 0.93 0.10 0.00 -1.67 -1.76 119.26 118.50 1bxr h ALA 251 Ca 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1bxr h ALA 251 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bxr h ALA 251 CO -0.22 0.59 -0.49 0.82 0.00 0.00 0.00 179.25 179.95 1bxr h ILE 252 N 0.54 0.01 -0.97 0.00 2.04 -0.46 -1.25 117.51 117.42 1bxr h ILE 252 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1bxr h ILE 252 Cb 0.68 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.63 1bxr h ILE 252 CO 0.05 0.00 -0.49 0.74 0.00 0.00 0.00 178.15 178.45 1bxr h THR 253 N -1.30 0.00 -0.95 -0.27 2.02 -0.17 -0.40 112.91 111.84 1bxr h THR 253 Ca -0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1bxr h THR 253 Cb 1.01 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1bxr h THR 253 CO 0.18 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.70 1bxr h ALA 254 N 0.89 1.22 -0.44 6.16 0.00 -1.24 -1.73 119.26 124.13 1bxr h ALA 254 Ca 0.24 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1bxr h ALA 254 Cb 0.50 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1bxr h ALA 254 CO -0.95 0.58 -0.13 0.82 0.00 0.00 0.00 179.25 179.58 1bxr h ILE 255 N 1.28 1.26 -0.62 0.00 2.04 0.01 -1.23 117.51 120.25 1bxr h ILE 255 Ca 0.36 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1bxr h ILE 255 Cb -0.12 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1bxr h ILE 255 CO -0.09 0.41 0.36 1.56 0.00 0.00 0.00 178.15 180.40 1bxr h GLN 256 N 0.72 0.67 0.00 2.37 4.20 -0.51 -0.82 115.11 121.74 1bxr h GLN 256 Ca 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1bxr h GLN 256 Cb 0.62 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1bxr h GLN 256 CO 0.04 0.44 -0.08 0.87 -0.67 0.00 0.00 178.83 179.44 1bxr h LYS 257 N 0.69 0.00 0.00 1.46 1.57 -0.39 -2.65 116.57 117.25 1bxr h LYS 257 Ca 0.26 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.79 1bxr h LYS 257 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1bxr h LYS 257 CO -0.14 0.08 -1.38 0.74 -0.57 0.00 0.00 179.45 178.18 1bxr h PHE 258 N 0.00 0.00 0.00 -1.35 0.04 -0.23 -3.27 116.94 112.13 1bxr h PHE 258 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxr h PHE 258 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1bxr h PHE 258 CO 0.00 0.97 0.00 1.28 -0.60 0.00 0.00 178.31 179.96 1bxr n LEU 259 N -3.17 0.00 0.03 1.54 4.77 -0.44 -1.91 117.00 117.83 1bxr n LEU 259 Ca -0.09 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1bxr n LEU 259 Cb 0.99 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.99 1bxr n LEU 259 CO 0.46 0.00 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.49 1bxr n GLU 260 N -0.78 0.63 -3.41 3.23 1.02 -1.22 -4.88 120.64 115.24 1bxr n GLU 260 Ca 0.11 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.08 1bxr n GLU 260 Cb 0.05 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1bxr n GLU 260 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bxr s THR 261 N -3.26 4.01 -1.94 2.62 -4.23 -0.80 -5.01 115.64 107.03 1bxr s THR 261 Ca -0.04 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.56 1bxr s THR 261 Cb 0.11 -3.39 0.15 0.00 1.34 0.00 0.00 72.50 70.70 1bxr s THR 261 CO 0.84 -0.16 1.10 0.47 -0.54 0.00 0.00 174.62 176.33 1bxr n ASP 262 N -1.69 0.94 -4.77 3.99 8.00 -1.26 -4.93 116.55 116.84 1bxr n ASP 262 Ca 0.00 -2.01 -0.40 0.00 0.71 0.00 0.00 54.79 53.10 1bxr n ASP 262 Cb 0.58 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.76 3.07 0.33 0.53 1.01 -1.26 -4.83 121.20 118.29 1bxr s ILE 263 Ca 0.11 1.01 -0.27 0.00 0.00 0.00 0.00 60.65 61.50 1bxr s ILE 263 Cb 0.06 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 1bxr s ILE 263 CO 0.07 0.19 1.09 -2.84 0.00 0.00 0.00 174.94 173.46 1bxr s PRO 264 N -1.89 4.43 0.02 2.79 0.02 -1.26 -4.66 135.00 134.45 1bxr s PRO 264 Ca 0.51 1.73 0.02 0.00 0.02 0.00 0.00 61.00 63.28 1bxr s PRO 264 Cb -0.34 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 1bxr s PRO 264 CO 0.45 0.04 -0.07 0.08 -0.33 0.00 0.00 177.00 177.16 1bxr s VAL 265 N -1.34 0.55 -0.02 3.83 1.01 -0.30 -1.22 120.40 122.92 1bxr s VAL 265 Ca 0.50 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1bxr s VAL 265 Cb -0.29 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1bxr s VAL 265 CO 0.37 -0.10 0.02 0.12 0.00 0.00 0.00 175.10 175.51 1bxr s PHE 266 N -0.72 0.10 -0.06 5.22 5.36 -1.05 -2.22 117.98 124.61 1bxr s PHE 266 Ca -0.03 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1bxr s PHE 266 Cb -0.06 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.39 1bxr s PHE 266 CO 0.00 -0.08 -0.16 0.20 -1.46 0.00 0.00 175.22 173.72 1bxr s GLY 267 N 0.84 0.91 -0.23 13.12 0.00 -0.99 0.65 107.32 121.62 1bxr s GLY 267 Ca -0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 1bxr s GLY 267 CO -0.02 -0.14 -0.05 -0.42 0.00 0.00 0.00 173.10 172.47 1bxr s ILE 268 N 0.34 3.19 0.00 0.90 1.01 -0.24 -0.82 121.20 125.59 1bxr s ILE 268 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1bxr s ILE 268 Cb -0.14 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1bxr s ILE 268 CO 0.04 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.31 1bxr h LEU 270 N 0.00 0.28 -1.40 0.00 5.85 -1.85 -1.17 115.31 117.02 1bxr h LEU 270 Ca 0.00 -0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.74 1bxr h LEU 270 Cb 0.00 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 1bxr h LEU 270 CO 0.00 0.36 0.58 1.23 -0.34 0.00 0.00 178.44 180.27 1bxr h GLY 271 N 0.18 1.04 0.92 3.75 0.00 -1.09 0.59 103.07 108.46 1bxr h GLY 271 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1bxr h GLY 271 CO -0.01 0.03 -0.01 0.84 0.00 0.00 0.00 176.54 177.39 1bxr h HIS 272 N 0.53 -0.02 -0.73 5.60 -0.00 -1.36 -1.90 115.15 117.26 1bxr h HIS 272 Ca 0.46 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.79 1bxr h HIS 272 Cb 0.97 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.35 1bxr h HIS 272 CO -0.00 0.07 0.28 1.96 -0.00 0.00 0.00 177.93 180.23 1bxr h GLN 273 N -0.10 1.09 -0.01 5.26 4.20 0.73 -1.79 115.11 124.49 1bxr h GLN 273 Ca -0.00 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1bxr h GLN 273 Cb 0.10 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1bxr h GLN 273 CO 0.00 0.89 0.00 -0.07 -0.67 0.00 0.00 178.83 178.99 1bxr h LEU 274 N 1.06 0.01 -1.14 1.46 3.38 0.05 0.53 115.31 120.66 1bxr h LEU 274 Ca 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1bxr h LEU 274 Cb 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1bxr h LEU 274 CO -0.02 0.25 0.44 0.25 0.09 0.00 0.00 178.44 179.45 1bxr h LEU 275 N -0.23 0.91 -0.61 1.67 5.85 -1.27 0.56 115.31 122.20 1bxr h LEU 275 Ca 0.00 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1bxr h LEU 275 Cb 0.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1bxr h LEU 275 CO 0.00 0.72 -0.43 0.00 -0.34 0.00 0.00 178.44 178.39 1bxr h ALA 276 N 1.44 0.79 0.25 1.25 0.00 -1.27 -1.18 119.26 120.55 1bxr h ALA 276 Ca 0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1bxr h ALA 276 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bxr h ALA 276 CO -0.05 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.67 1bxr h LEU 277 N 0.49 -0.29 -0.46 0.00 3.38 0.20 0.61 115.31 119.24 1bxr h LEU 277 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1bxr h LEU 277 Cb 0.95 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1bxr h LEU 277 CO 0.09 -0.05 0.05 0.00 0.09 0.00 0.00 178.44 178.62 1bxr n ALA 278 N -2.34 0.93 -0.17 1.53 0.00 0.19 0.10 120.51 120.75 1bxr n ALA 278 Ca -0.09 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1bxr n ALA 278 Cb 0.21 -1.02 0.23 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.72 3.40 -0.09 0.00 7.64 -0.47 -4.71 113.62 117.66 1bxr n SER 279 Ca -0.00 -1.97 -0.01 0.00 1.01 0.00 0.00 58.87 57.89 1bxr n SER 279 Cb 0.06 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.14 0.47 3.98 0.23 0.00 0.29 -4.69 105.19 106.61 1bxr n GLY 280 Ca 0.18 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.05 3.65 0.08 4.61 0.00 0.21 -4.69 121.76 123.58 1bxr s ALA 281 Ca 0.00 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.48 1bxr s ALA 281 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1bxr s ALA 281 CO 0.00 -1.32 -0.10 0.15 0.00 0.00 0.00 175.76 174.49 1bxr s LYS 282 N -5.09 2.20 -0.04 0.00 -0.14 -1.26 -4.38 119.74 111.02 1bxr s LYS 282 Ca 0.64 -0.97 0.06 0.00 -1.36 0.00 0.00 55.97 54.34 1bxr s LYS 282 Cb -0.07 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.73 1bxr s LYS 282 CO 0.43 0.53 -0.21 0.95 -0.76 0.00 0.00 175.35 176.29 1bxr s THR 283 N -1.16 2.49 0.31 2.17 -4.23 -1.26 0.14 115.64 114.11 1bxr s THR 283 Ca 0.20 -0.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.88 1bxr s THR 283 Cb -0.11 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1bxr s THR 283 CO 0.12 0.58 -0.07 0.68 -0.54 0.00 0.00 174.62 175.39 1bxr s VAL 284 N -0.56 2.65 -0.25 2.29 -7.23 0.24 -4.90 120.40 112.65 1bxr s VAL 284 Ca 0.08 -2.14 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 1bxr s VAL 284 Cb -0.11 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1bxr s VAL 284 CO 0.00 -0.29 0.11 -0.75 -0.31 0.00 0.00 175.10 173.87 1bxr s LYS 285 N -3.63 3.82 0.74 4.82 2.20 -1.26 0.73 119.74 127.16 1bxr s LYS 285 Ca 0.32 -0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.43 1bxr s LYS 285 Cb -0.02 -3.44 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1bxr s LYS 285 CO 0.18 -0.11 1.08 -1.64 -0.36 0.00 0.00 175.35 174.49 1bxr s MET 286 N 1.48 2.54 0.12 4.03 -1.94 0.12 -4.94 119.30 120.71 1bxr s MET 286 Ca 0.06 1.08 -0.32 0.00 -1.71 0.00 0.00 55.69 54.81 1bxr s MET 286 Cb -0.15 -1.93 -0.09 0.00 2.01 0.00 0.00 34.83 34.66 1bxr s MET 286 CO 0.06 -1.42 1.57 -0.22 -0.01 0.00 0.00 175.02 174.99 1bxr h LYS 287 N -0.96 -0.53 0.00 2.03 3.64 -1.98 -3.38 116.57 115.38 1bxr h LYS 287 Ca -0.44 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1bxr h LYS 287 Cb 1.22 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1bxr h LYS 287 CO 0.54 -0.35 -0.15 1.97 -2.27 0.00 0.00 179.45 179.18 1bxr n PHE 288 N -5.44 0.00 -3.59 1.91 1.16 -1.26 -0.74 117.46 109.49 1bxr n PHE 288 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.53 1bxr n PHE 288 Cb 0.38 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.25 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 0.64 -1.93 3.04 4.97 0.00 -1.26 -4.84 105.19 105.80 1bxr n GLY 289 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 2.65 -0.28 1.61 0.09 0.41 -4.98 115.29 114.80 1bxr s HIS 290 Ca 0.00 -1.73 -0.03 0.00 -0.00 0.00 0.00 55.06 53.30 1bxr s HIS 290 Cb 0.00 -1.76 0.10 0.00 -0.00 0.00 0.00 32.58 30.93 1bxr s HIS 290 CO 0.00 -0.78 0.17 -1.01 -0.00 0.00 0.00 174.74 173.12 1bxr s HIS 291 N 1.32 0.10 0.00 1.40 3.76 -1.26 -1.14 115.29 119.47 1bxr s HIS 291 Ca -0.01 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1bxr s HIS 291 Cb -0.16 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.77 1bxr s HIS 291 CO -0.09 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 1bxr n GLY 292 N 5.27 0.55 1.37 -2.22 0.00 -1.11 -1.60 105.19 107.45 1bxr n GLY 292 Ca -0.05 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.17 0.20 -0.02 0.00 -1.26 -1.75 105.19 103.52 1bxr n GLY 293 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 0.38 1.08 -4.63 1.61 6.94 -1.19 -4.51 115.26 114.94 1bxr n ASN 294 Ca 0.06 -2.19 -0.43 0.00 -0.02 0.00 0.00 54.58 52.00 1bxr n ASN 294 Cb 1.09 -0.21 -0.02 0.00 -2.36 0.00 0.00 39.78 38.28 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 -1.10 2.75 0.07 -2.53 2.46 -1.08 -4.74 115.29 111.12 1bxr s HIS 295 Ca 0.11 0.90 -0.30 0.00 0.47 0.00 0.00 55.06 56.23 1bxr s HIS 295 Cb 0.09 -3.94 -0.05 0.00 -0.13 0.00 0.00 32.58 28.55 1bxr s HIS 295 CO 0.01 -1.54 1.09 -1.25 -2.47 0.00 0.00 174.74 170.58 1bxr s PRO 296 N 4.15 4.53 -0.04 2.88 0.04 -1.26 -0.70 135.00 144.60 1bxr s PRO 296 Ca 0.54 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1bxr s PRO 296 Cb -0.15 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1bxr s PRO 296 CO 0.23 -0.09 -0.13 0.08 0.04 0.00 0.00 177.00 177.13 1bxr s VAL 297 N 0.73 1.12 -0.18 -0.36 1.01 0.16 -0.84 120.40 122.03 1bxr s VAL 297 Ca 0.54 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1bxr s VAL 297 Cb -0.26 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1bxr s VAL 297 CO 0.30 0.33 0.10 -0.75 0.00 0.00 0.00 175.10 175.08 1bxr s LYS 298 N 0.18 3.98 -1.01 2.72 2.20 0.77 -0.97 119.74 127.61 1bxr s LYS 298 Ca -0.05 -0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 1bxr s LYS 298 Cb -0.11 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 33.01 1bxr s LYS 298 CO 0.02 0.36 1.33 0.34 -0.36 0.00 0.00 175.35 177.03 1bxr s ASP 299 N 0.16 6.62 0.43 1.43 -1.08 0.16 -2.14 116.67 122.25 1bxr s ASP 299 Ca 0.07 -1.89 0.27 0.00 -0.52 0.00 0.00 52.55 50.49 1bxr s ASP 299 Cb -0.12 -2.49 1.36 0.00 -1.46 0.00 0.00 42.92 40.22 1bxr s ASP 299 CO -0.00 -1.24 1.65 -0.37 0.52 0.00 0.00 175.17 175.72 1bxr h VAL 300 N 6.15 0.19 0.13 1.11 -1.51 -1.59 0.49 116.25 121.21 1bxr h VAL 300 Ca 0.21 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.62 1bxr h VAL 300 Cb 1.00 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1bxr h VAL 300 CO 1.28 0.03 -0.06 -0.33 -1.23 0.00 0.00 177.57 177.25 1bxr h GLU 301 N 0.14 -0.17 -0.01 5.19 5.08 -1.89 -3.18 114.58 119.74 1bxr h GLU 301 Ca 0.78 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1bxr h GLU 301 Cb 2.36 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.65 1bxr h GLU 301 CO -0.41 0.06 -0.26 1.63 -1.00 0.00 0.00 179.01 179.02 1bxr n LYS 302 N -5.07 1.21 -3.68 2.33 5.02 -0.32 -4.94 118.16 112.71 1bxr n LYS 302 Ca -0.09 -0.85 -0.24 0.00 -2.02 0.00 0.00 58.31 55.12 1bxr n LYS 302 Cb 0.17 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.15 -2.61 -4.13 4.39 5.15 0.16 -4.99 115.26 113.07 1bxr n ASN 303 Ca 0.12 -0.88 -0.24 0.00 -0.60 0.00 0.00 54.58 52.98 1bxr n ASN 303 Cb 0.41 -3.88 -0.15 0.00 -0.53 0.00 0.00 39.78 35.62 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 -3.63 1.28 -0.04 3.44 -7.23 -1.19 -4.97 120.40 108.06 1bxr s VAL 304 Ca 0.16 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1bxr s VAL 304 Cb -0.05 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1bxr s VAL 304 CO 0.83 0.36 0.12 -0.69 -0.31 0.00 0.00 175.10 175.41 1bxr s VAL 305 N -0.28 5.08 -0.00 1.32 1.01 -1.26 -0.66 120.40 125.60 1bxr s VAL 305 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1bxr s VAL 305 Cb -0.07 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1bxr s VAL 305 CO -0.00 0.43 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1bxr s MET 306 N -1.55 0.11 -0.08 2.72 0.23 -0.14 -4.94 119.30 115.65 1bxr s MET 306 Ca 0.21 -0.03 -0.26 0.00 -1.03 0.00 0.00 55.69 54.58 1bxr s MET 306 Cb -0.12 -0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.02 1bxr s MET 306 CO 0.12 0.01 0.81 0.42 -2.03 0.00 0.00 175.02 174.35 1bxr s ILE 307 N 0.06 4.95 0.25 3.16 -1.09 -1.26 -0.67 121.20 126.61 1bxr s ILE 307 Ca -0.00 1.66 0.04 0.00 -2.23 0.00 0.00 60.65 60.12 1bxr s ILE 307 Cb -0.02 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1bxr s ILE 307 CO -0.00 0.16 -0.01 0.42 -1.23 0.00 0.00 174.94 174.28 1bxr s THR 308 N 1.27 1.14 -0.27 2.92 -4.23 0.12 -4.24 115.64 112.35 1bxr s THR 308 Ca 0.41 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 1bxr s THR 308 Cb -0.18 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1bxr s THR 308 CO 0.19 -0.29 0.34 0.00 -0.54 0.00 0.00 174.62 174.32 1bxr s ALA 309 N -3.35 3.56 0.17 3.99 0.00 -1.26 -2.62 121.76 122.26 1bxr s ALA 309 Ca 0.29 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.49 1bxr s ALA 309 Cb 0.06 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1bxr s ALA 309 CO 0.10 -0.63 -0.18 -0.65 0.00 0.00 0.00 175.76 174.40 1bxr s GLN 310 N 1.99 1.74 -0.32 0.00 -1.52 -0.72 -0.27 119.66 120.56 1bxr s GLN 310 Ca 0.13 -1.37 -0.09 0.00 -1.95 0.00 0.00 55.36 52.09 1bxr s GLN 310 Cb -0.16 -2.00 0.19 0.00 -0.22 0.00 0.00 33.01 30.82 1bxr s GLN 310 CO 0.10 0.43 1.03 1.21 -0.25 0.00 0.00 175.29 177.81 1bxr s ASN 311 N -2.60 -0.40 -0.28 5.90 2.47 -0.76 -2.77 114.94 116.50 1bxr s ASN 311 Ca 0.21 -0.16 -0.19 0.00 0.42 0.00 0.00 52.86 53.14 1bxr s ASN 311 Cb -0.09 0.62 0.09 0.00 -1.45 0.00 0.00 41.25 40.41 1bxr s ASN 311 CO 0.11 -0.05 0.75 -1.38 -3.72 0.00 0.00 177.10 172.81 1bxr s HIS 312 N 2.11 -0.90 -0.31 0.43 -3.43 -0.29 -4.98 115.29 107.91 1bxr s HIS 312 Ca 0.16 1.93 0.22 0.00 -0.80 0.00 0.00 55.06 56.57 1bxr s HIS 312 Cb 0.02 0.48 -0.25 0.00 -1.43 0.00 0.00 32.58 31.40 1bxr s HIS 312 CO -0.16 -0.44 0.67 0.41 -2.00 0.00 0.00 174.74 173.22 1bxr n GLY 313 N 3.63 -1.06 3.55 -1.38 0.00 -1.26 -0.44 105.19 108.23 1bxr n GLY 313 Ca -0.18 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.36 2.43 0.20 1.61 0.08 -1.26 0.11 117.98 117.79 1bxr s PHE 314 Ca -0.03 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 1bxr s PHE 314 Cb 0.14 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1bxr s PHE 314 CO 0.88 0.61 0.33 0.00 -0.10 0.00 0.00 175.22 176.94 1bxr s ALA 315 N -2.53 0.11 -0.18 5.36 0.00 0.22 -4.82 121.76 119.93 1bxr s ALA 315 Ca 0.32 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1bxr s ALA 315 Cb -0.01 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1bxr s ALA 315 CO 0.17 -0.72 0.25 0.08 0.00 0.00 0.00 175.76 175.54 1bxr s VAL 316 N -4.02 5.33 -0.03 0.00 1.01 -1.26 0.80 120.40 122.23 1bxr s VAL 316 Ca 0.23 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1bxr s VAL 316 Cb 0.02 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1bxr s VAL 316 CO 0.06 0.39 1.56 -0.62 0.00 0.00 0.00 175.10 176.49 1bxr s ASP 317 N 0.51 6.72 0.07 3.32 -1.08 0.38 -4.56 116.67 122.03 1bxr s ASP 317 Ca 0.14 2.20 -0.16 0.00 -0.52 0.00 0.00 52.55 54.21 1bxr s ASP 317 Cb -0.13 -2.55 -0.15 0.00 -1.46 0.00 0.00 42.92 38.64 1bxr s ASP 317 CO 0.03 -0.86 1.29 -0.08 0.52 0.00 0.00 175.17 176.07 1bxr h GLU 318 N 8.83 0.63 -1.26 4.34 4.81 -1.96 -3.26 114.58 126.70 1bxr h GLU 318 Ca -0.38 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.38 1bxr h GLU 318 Cb 1.18 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1bxr h GLU 318 CO 0.94 1.09 0.00 0.00 -0.73 0.00 0.00 179.01 180.31 1bxr n ALA 319 N -2.55 2.45 -1.82 2.92 0.00 -1.26 -2.47 120.51 117.78 1bxr n ALA 319 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1bxr n ALA 319 Cb 0.61 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1bxr n ALA 319 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bxr n THR 320 N 0.69 0.00 -2.39 0.00 -2.24 -1.23 -5.10 114.28 104.01 1bxr n THR 320 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1bxr n THR 320 Cb 0.41 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1bxr n THR 320 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1bxr s LEU 321 N 0.00 4.39 0.41 3.22 2.96 -1.03 -4.33 118.68 124.29 1bxr s LEU 321 Ca 0.00 2.08 -0.25 0.00 -0.22 0.00 0.00 54.13 55.74 1bxr s LEU 321 Cb 0.00 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1bxr s LEU 321 CO 0.00 -0.46 1.15 -2.16 -1.32 0.00 0.00 176.35 173.55 1bxr s PRO 322 N 0.82 4.04 0.51 0.98 0.04 -1.26 -4.89 135.00 135.23 1bxr s PRO 322 Ca 0.58 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.63 1bxr s PRO 322 Cb -0.31 -2.62 1.33 0.00 0.04 0.00 0.00 34.50 32.94 1bxr s PRO 322 CO 0.31 -0.32 1.99 0.00 0.04 0.00 0.00 177.00 179.02 1bxr h ALA 323 N 2.54 2.41 0.00 8.56 0.00 -1.94 0.40 119.26 131.24 1bxr h ALA 323 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bxr h ALA 323 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bxr h ALA 323 CO 0.62 -0.57 0.00 -2.95 0.00 0.00 0.00 179.25 176.35 1bxr h ASN 324 N 0.08 0.00 -3.75 0.00 -0.00 -1.94 -3.39 115.58 106.57 1bxr h ASN 324 Ca 0.26 0.00 -0.64 0.00 -0.00 0.00 0.00 56.30 55.92 1bxr h ASN 324 Cb 0.94 0.00 -0.19 0.00 -0.00 0.00 0.00 38.32 39.07 1bxr h ASN 324 CO -0.02 0.00 -0.56 -0.76 -0.00 0.00 0.00 177.43 176.08 1bxr s LEU 325 N -4.60 3.78 -0.08 6.14 1.43 0.14 0.11 118.68 125.59 1bxr s LEU 325 Ca 0.01 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1bxr s LEU 325 Cb 0.08 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1bxr s LEU 325 CO 0.33 -0.03 -0.23 0.00 0.23 0.00 0.00 176.35 176.65 1bxr s ARG 326 N 1.61 2.84 -0.14 1.70 1.70 -0.81 -4.65 118.95 121.20 1bxr s ARG 326 Ca 0.07 -0.86 -0.29 0.00 -0.47 0.00 0.00 55.73 54.17 1bxr s ARG 326 Cb -0.15 -2.29 -0.02 0.00 -0.57 0.00 0.00 34.95 31.92 1bxr s ARG 326 CO 0.07 0.30 1.24 0.08 -1.08 0.00 0.00 175.30 175.91 1bxr s VAL 327 N 0.06 4.29 -0.13 4.99 1.01 -1.26 -1.09 120.40 128.27 1bxr s VAL 327 Ca -0.10 1.58 0.16 0.00 0.00 0.00 0.00 61.98 63.62 1bxr s VAL 327 Cb -0.15 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 1bxr s VAL 327 CO 0.06 -0.10 0.33 0.35 0.00 0.00 0.00 175.10 175.74 1bxr n THR 328 N 5.17 1.42 -3.82 3.92 -2.24 0.76 -4.84 114.28 114.63 1bxr n THR 328 Ca 0.13 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 1bxr n THR 328 Cb 0.45 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.09 0.08 4.78 3.76 -0.97 -1.61 115.29 118.67 1bxr s HIS 329 Ca -0.08 0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 1bxr s HIS 329 Cb 0.07 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.75 1bxr s HIS 329 CO 0.83 -0.28 -0.08 0.15 -0.85 0.00 0.00 174.74 174.51 1bxr s LYS 330 N -1.04 0.76 0.04 1.40 1.02 -0.91 -0.05 119.74 120.96 1bxr s LYS 330 Ca -0.11 -1.13 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 1bxr s LYS 330 Cb -0.06 -0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 1bxr s LYS 330 CO 0.02 0.03 0.83 0.45 -0.92 0.00 0.00 175.35 175.76 1bxr s SER 331 N -2.49 7.28 0.00 2.83 0.15 0.98 -0.16 113.70 122.28 1bxr s SER 331 Ca 0.04 1.53 0.28 0.00 0.70 0.00 0.00 55.95 58.50 1bxr s SER 331 Cb -0.01 -2.50 1.34 0.00 -1.71 0.00 0.00 66.02 63.14 1bxr s SER 331 CO -0.02 -0.06 1.90 0.18 1.20 0.00 0.00 173.24 176.44 1bxr n LEU 332 N 3.06 0.80 -0.06 3.45 4.32 -0.02 -0.16 117.00 128.39 1bxr n LEU 332 Ca -0.00 -0.28 -0.17 0.00 -0.02 0.00 0.00 56.01 55.54 1bxr n LEU 332 Cb 0.50 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.15 1bxr n LEU 332 CO 0.49 0.14 -0.97 0.49 -1.22 0.00 0.00 177.39 176.31 1bxr n PHE 333 N -0.35 0.66 -0.92 -1.77 3.72 -1.26 -4.67 117.46 112.87 1bxr n PHE 333 Ca 0.20 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 1bxr n PHE 333 Cb 0.23 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 1bxr n PHE 333 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1bxr n ASP 334 N -3.24 0.16 -0.61 4.37 5.68 -1.24 -5.01 116.55 116.66 1bxr n ASP 334 Ca -0.34 -1.08 -0.08 0.00 -0.50 0.00 0.00 54.79 52.79 1bxr n ASP 334 Cb 1.05 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.99 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 -0.04 0.88 3.77 6.12 0.00 0.77 -4.98 105.19 111.71 1bxr n GLY 335 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.96 3.22 0.08 2.61 -4.23 -1.25 -4.49 115.64 109.63 1bxr s THR 336 Ca 0.00 0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 60.69 1bxr s THR 336 Cb 0.00 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 1bxr s THR 336 CO 0.00 -0.43 1.43 -0.22 -0.54 0.00 0.00 174.62 174.86 1bxr s LEU 337 N -5.40 4.36 -0.00 4.79 2.96 -1.26 -0.02 118.68 124.11 1bxr s LEU 337 Ca 0.65 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.87 1bxr s LEU 337 Cb -0.19 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1bxr s LEU 337 CO 0.49 -0.70 0.01 0.00 -1.32 0.00 0.00 176.35 174.82 1bxr n GLN 338 N 4.48 2.23 -3.76 1.98 1.13 0.92 -4.74 117.38 119.62 1bxr n GLN 338 Ca 0.12 -0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 1bxr n GLN 338 Cb 0.42 -1.02 -0.10 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.65 -0.21 0.05 1.08 0.00 -0.64 0.26 107.32 105.21 1bxr s GLY 339 Ca -0.00 0.69 -0.02 0.00 0.00 0.00 0.00 44.72 45.39 1bxr s GLY 339 CO 0.03 0.53 -0.00 -0.26 0.00 0.00 0.00 173.10 173.40 1bxr s ILE 340 N -0.40 0.19 0.00 0.90 -4.36 -0.87 -0.17 121.20 116.49 1bxr s ILE 340 Ca -0.05 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1bxr s ILE 340 Cb -0.03 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.39 1bxr s ILE 340 CO 0.02 -0.87 0.02 -2.28 0.24 0.00 0.00 174.94 172.07 1bxr s HIS 341 N -3.46 0.11 0.07 1.37 2.46 -0.25 0.04 115.29 115.63 1bxr s HIS 341 Ca 0.03 -0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.02 1bxr s HIS 341 Cb 0.04 -0.09 -0.05 0.00 -0.13 0.00 0.00 32.58 32.35 1bxr s HIS 341 CO -0.08 -0.14 0.98 1.03 -2.47 0.00 0.00 174.74 174.06 1bxr s ARG 342 N -0.88 4.63 0.04 2.88 1.81 0.34 -1.93 118.95 125.84 1bxr s ARG 342 Ca -0.10 1.47 -0.23 0.00 -1.72 0.00 0.00 55.73 55.15 1bxr s ARG 342 Cb -0.06 -3.40 -0.16 0.00 -0.45 0.00 0.00 34.95 30.88 1bxr s ARG 342 CO -0.00 0.10 1.48 1.79 -0.68 0.00 0.00 175.30 177.99 1bxr h THR 343 N 4.31 1.23 0.03 0.02 1.35 0.40 -3.36 112.91 116.89 1bxr h THR 343 Ca -0.42 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1bxr h THR 343 Cb 1.21 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1bxr h THR 343 CO 0.73 0.19 -0.02 -2.24 -0.25 0.00 0.00 175.52 173.94 1bxr h ASP 344 N -0.18 -0.04 -3.62 5.36 2.03 -1.92 -3.48 116.42 114.58 1bxr h ASP 344 Ca 0.01 -0.63 -0.28 0.00 -0.73 0.00 0.00 57.03 55.41 1bxr h ASP 344 Cb 0.30 0.01 0.09 0.00 -0.83 0.00 0.00 39.33 38.90 1bxr h ASP 344 CO 0.00 0.74 0.21 0.29 -1.03 0.00 0.00 179.24 179.45 1bxr n LYS 345 N -4.72 -0.54 -2.20 4.15 4.76 -1.26 -4.99 118.16 113.36 1bxr n LYS 345 Ca -0.07 -1.43 -0.35 0.00 -2.87 0.00 0.00 58.31 53.59 1bxr n LYS 345 Cb 0.32 -0.74 0.02 0.00 -1.84 0.00 0.00 35.03 32.79 1bxr n LYS 345 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bxr n PRO 346 N -2.61 3.15 -4.24 1.97 -0.04 -1.26 -4.58 135.00 127.39 1bxr n PRO 346 Ca 0.11 -4.00 -0.22 0.00 -0.04 0.00 0.00 63.50 59.35 1bxr n PRO 346 Cb 0.37 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.39 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 -3.87 0.88 0.18 0.55 0.00 -1.26 -1.15 121.76 117.09 1bxr s ALA 347 Ca 0.50 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1bxr s ALA 347 Cb 0.41 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1bxr s ALA 347 CO -0.31 -0.03 0.25 -0.59 0.00 0.00 0.00 175.76 175.09 1bxr s PHE 348 N 0.95 0.59 0.22 0.00 -0.71 -0.94 0.13 117.98 118.21 1bxr s PHE 348 Ca -0.10 -0.93 -0.15 0.00 -1.04 0.00 0.00 56.93 54.71 1bxr s PHE 348 Cb -0.15 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1bxr s PHE 348 CO 0.00 -0.72 0.48 -1.54 -1.34 0.00 0.00 175.22 172.11 1bxr s SER 349 N -3.02 -0.15 -0.05 1.98 1.04 0.11 -2.34 113.70 111.26 1bxr s SER 349 Ca 0.23 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1bxr s SER 349 Cb 0.04 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1bxr s SER 349 CO 0.04 -1.08 -0.11 0.12 0.98 0.00 0.00 173.24 173.19 1bxr s PHE 350 N -3.94 1.26 0.24 5.02 5.36 0.00 -2.06 117.98 123.86 1bxr s PHE 350 Ca 0.15 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.77 1bxr s PHE 350 Cb -0.01 -0.93 0.25 0.00 -0.34 0.00 0.00 43.02 41.99 1bxr s PHE 350 CO 0.03 -0.21 1.55 0.37 -1.46 0.00 0.00 175.22 175.50 1bxr h GLN 351 N 6.81 0.18 0.00 10.12 5.75 0.33 0.76 115.11 139.06 1bxr h GLN 351 Ca -0.33 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1bxr h GLN 351 Cb 1.18 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1bxr h GLN 351 CO 0.48 0.75 0.00 0.41 -2.65 0.00 0.00 178.83 177.82 1bxr n GLY 352 N 0.32 0.62 3.05 2.39 0.00 -1.26 -3.74 105.19 106.57 1bxr n GLY 352 Ca -0.02 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 0.82 3.56 0.59 1.61 3.76 0.63 -3.94 115.29 122.32 1bxr s HIS 353 Ca 0.00 -2.83 0.29 0.00 -0.15 0.00 0.00 55.06 52.37 1bxr s HIS 353 Cb 0.00 -3.03 1.77 0.00 1.11 0.00 0.00 32.58 32.42 1bxr s HIS 353 CO 0.00 -0.90 2.21 -1.35 -0.85 0.00 0.00 174.74 173.85 1bxr h PRO 354 N 7.46 0.00 0.00 8.40 0.11 -1.86 -1.25 132.00 144.86 1bxr h PRO 354 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1bxr h PRO 354 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1bxr h PRO 354 CO 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 1bxr n GLU 355 N -3.85 0.07 0.00 1.05 0.00 -1.26 -3.44 120.64 113.21 1bxr n GLU 355 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1bxr n GLU 355 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 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 -1.46 0.00 -3.11 -1.84 0.00 -0.47 -4.86 120.51 108.76 1bxr n ALA 356 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1bxr n ALA 356 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 3.15 -7.58 -4.99 0.00 2.88 -1.26 -4.79 113.62 101.03 1bxr n SER 357 Ca 0.00 -0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.24 1bxr n SER 357 Cb 0.00 -5.03 0.02 0.00 -0.75 0.00 0.00 64.21 58.45 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 -3.13 2.71 0.00 -1.46 0.04 -1.26 -4.76 135.00 127.12 1bxr s PRO 358 Ca 0.01 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1bxr s PRO 358 Cb -0.00 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1bxr s PRO 358 CO 0.76 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1bxr n GLY 359 N -2.05 2.80 3.69 0.56 0.00 -1.26 -4.81 105.19 104.13 1bxr n GLY 359 Ca 0.08 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1bxr n GLY 359 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bxr n PRO 360 N -1.49 1.66 0.00 1.61 -0.05 -1.26 -4.83 135.00 130.63 1bxr n PRO 360 Ca 0.00 0.60 0.14 0.00 -0.05 0.00 0.00 63.50 64.19 1bxr n PRO 360 Cb 0.00 -2.38 0.62 0.00 -0.05 0.00 0.00 33.50 31.70 1bxr n PRO 360 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bxr n HIS 361 N -0.70 0.00 -0.33 0.54 8.25 -1.26 -4.58 115.22 117.14 1bxr n HIS 361 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.58 1bxr n HIS 361 Cb 0.42 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.57 1bxr n HIS 361 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1bxr n ASP 362 N -0.46 -0.40 -0.65 0.41 9.92 -1.26 -1.49 116.55 122.62 1bxr n ASP 362 Ca 0.18 1.54 0.05 0.00 -0.53 0.00 0.00 54.79 56.03 1bxr n ASP 362 Cb 0.28 -0.43 0.14 0.00 -0.64 0.00 0.00 41.12 40.47 1bxr n ASP 362 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bxr n ALA 363 N -3.63 2.55 0.27 2.24 0.00 -1.26 -4.33 120.51 116.35 1bxr n ALA 363 Ca 0.13 -0.58 0.14 0.00 0.00 0.00 0.00 53.44 53.12 1bxr n ALA 363 Cb 0.42 -0.99 0.75 0.00 0.00 0.00 0.00 19.45 19.64 1bxr n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h ALA 364 N 3.46 1.19 0.00 0.00 0.00 -1.29 -2.24 119.26 120.38 1bxr h ALA 364 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bxr h ALA 364 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1bxr h ALA 364 CO 0.03 0.12 0.00 -1.00 0.00 0.00 0.00 179.25 178.41 1bxr h PRO 365 N 0.00 0.00 -0.28 0.00 0.13 -1.82 -2.45 132.00 127.58 1bxr h PRO 365 Ca -0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1bxr h PRO 365 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1bxr h PRO 365 CO 0.01 0.00 0.48 -0.07 -0.23 0.00 0.00 178.00 178.20 1bxr h LEU 366 N 0.00 0.00 -0.17 1.56 4.07 -1.76 0.26 115.31 119.28 1bxr h LEU 366 Ca 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 1bxr h LEU 366 Cb 0.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.89 1bxr h LEU 366 CO 0.00 0.00 -0.61 -0.26 -1.08 0.00 0.00 178.44 176.49 1bxr h PHE 367 N 0.00 0.95 -0.96 1.13 0.04 -1.67 -3.23 116.94 113.19 1bxr h PHE 367 Ca 0.13 -0.39 0.09 0.00 2.80 0.00 0.00 57.97 60.60 1bxr h PHE 367 Cb 1.10 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 39.02 1bxr h PHE 367 CO 0.00 1.20 0.60 -0.44 -0.60 0.00 0.00 178.31 179.07 1bxr h ASP 368 N 0.42 0.92 -0.64 2.17 3.32 -0.64 -0.35 116.42 121.62 1bxr h ASP 368 Ca -0.03 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1bxr h ASP 368 Cb 1.24 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 1bxr h ASP 368 CO 0.13 0.54 0.32 -0.74 -1.72 0.00 0.00 179.24 177.77 1bxr h HIS 369 N 1.03 0.58 -0.42 4.55 2.76 -1.56 0.11 115.15 122.20 1bxr h HIS 369 Ca 0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.62 1bxr h HIS 369 Cb 0.32 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1bxr h HIS 369 CO -0.02 0.24 0.18 0.35 -1.30 0.00 0.00 177.93 177.39 1bxr h PHE 370 N 0.58 0.59 0.00 5.26 3.57 -1.17 -0.71 116.94 125.05 1bxr h PHE 370 Ca 0.30 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1bxr h PHE 370 Cb 0.25 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1bxr h PHE 370 CO -0.10 0.46 -0.41 0.82 -2.23 0.00 0.00 178.31 176.84 1bxr h ILE 371 N 0.59 0.81 -0.18 1.41 1.08 0.18 -2.47 117.51 118.93 1bxr h ILE 371 Ca 0.15 -1.78 -0.07 0.00 -0.39 0.00 0.00 64.86 62.76 1bxr h ILE 371 Cb 0.10 2.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1bxr h ILE 371 CO -0.02 0.40 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.35 1bxr h GLU 372 N 0.00 0.43 0.00 2.37 5.08 0.43 -2.38 114.58 120.52 1bxr h GLU 372 Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1bxr h GLU 372 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1bxr h GLU 372 CO 0.05 0.78 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.74 1bxr h LEU 373 N 0.09 0.00 0.10 1.33 3.38 -1.12 -2.16 115.31 116.93 1bxr h LEU 373 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1bxr h LEU 373 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1bxr h LEU 373 CO 0.04 0.04 -1.18 0.40 0.09 0.00 0.00 178.44 177.83 1bxr h ILE 374 N 0.00 1.18 0.00 1.22 2.04 -1.32 -2.94 117.51 117.68 1bxr h ILE 374 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1bxr h ILE 374 Cb 0.07 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1bxr h ILE 374 CO 0.00 0.67 0.00 -0.33 0.00 0.00 0.00 178.15 178.50 1bxr h GLU 375 N -0.42 0.00 0.16 2.37 5.08 -1.26 -2.14 114.58 118.37 1bxr h GLU 375 Ca -0.25 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.84 1bxr h GLU 375 Cb 1.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.92 1bxr h GLU 375 CO 0.05 0.00 -1.26 0.37 -1.00 0.00 0.00 179.01 177.18 1bxr h GLN 376 N 0.00 0.34 0.00 2.33 4.15 -1.48 -2.88 115.11 117.56 1bxr h GLN 376 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.84 1bxr h GLN 376 Cb 0.37 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1bxr h GLN 376 CO 0.00 1.28 0.00 -0.92 -1.93 0.00 0.00 178.83 177.26 1bxr h TYR 377 N -0.19 0.00 0.00 3.99 3.20 -1.27 -2.27 116.97 120.43 1bxr h TYR 377 Ca -0.24 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.38 1bxr h TYR 377 Cb 1.84 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 40.07 1bxr h TYR 377 CO 0.15 0.00 -1.41 0.00 -1.64 0.00 0.00 178.16 175.26 1bxr h ARG 378 N 0.00 0.00 0.00 1.82 3.08 -1.43 -3.13 114.38 114.72 1bxr h ARG 378 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1bxr h ARG 378 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1bxr h ARG 378 CO 0.00 0.60 -0.22 0.87 -1.07 0.00 0.00 179.97 180.15 1bxr h LYS 379 N 0.00 0.00 -0.03 0.04 1.57 -1.19 -3.51 116.57 113.46 1bxr h LYS 379 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1bxr h LYS 379 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1bxr h LYS 379 CO 0.09 0.22 0.00 2.41 -0.57 0.00 0.00 179.45 181.59