#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgr h ALA 2 N 0.00 0.11 -0.92 7.33 0.00 -1.99 -2.29 119.26 121.50 1lgr h ALA 2 Ca 0.00 0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.26 1lgr h ALA 2 Cb 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 1lgr h ALA 2 CO 0.00 -0.56 -0.16 1.49 0.00 0.00 0.00 179.25 180.03 1lgr h GLU 3 N -0.12 0.01 -0.41 0.00 4.57 -1.99 0.66 114.58 117.30 1lgr h GLU 3 Ca 0.20 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1lgr h GLU 3 Cb 0.43 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1lgr h GLU 3 CO -0.49 0.01 0.11 1.25 -1.18 0.00 0.00 179.01 178.70 1lgr h HIS 4 N 0.01 0.68 -0.26 0.92 2.76 -1.84 -1.78 115.15 115.65 1lgr h HIS 4 Ca 0.47 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1lgr h HIS 4 Cb 0.79 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1lgr h HIS 4 CO -0.65 0.65 0.14 0.28 -1.30 0.00 0.00 177.93 177.05 1lgr h VAL 5 N 0.52 1.12 -0.58 5.26 2.07 -0.56 -2.18 116.25 121.91 1lgr h VAL 5 Ca 0.13 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1lgr h VAL 5 Cb 0.30 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1lgr h VAL 5 CO 0.00 0.12 0.39 -0.07 0.02 0.00 0.00 177.57 178.03 1lgr h LEU 6 N 0.31 0.34 -0.03 2.57 3.38 -0.81 -1.59 115.31 119.47 1lgr h LEU 6 Ca 0.09 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1lgr h LEU 6 Cb 0.07 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1lgr h LEU 6 CO -0.01 0.20 -0.33 0.71 0.09 0.00 0.00 178.44 179.10 1lgr h THR 7 N 0.38 1.47 -1.02 0.22 1.35 -1.04 -3.27 112.91 111.00 1lgr h THR 7 Ca 0.27 -1.85 0.25 0.00 -0.55 0.00 0.00 66.41 64.52 1lgr h THR 7 Cb 0.55 2.54 -0.11 0.00 -1.73 0.00 0.00 68.15 69.40 1lgr h THR 7 CO -0.07 0.52 0.63 0.24 -0.25 0.00 0.00 175.52 176.59 1lgr h MET 8 N -0.29 0.52 -0.48 4.72 2.86 -0.69 0.15 114.93 121.72 1lgr h MET 8 Ca -0.03 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1lgr h MET 8 Cb 1.03 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.49 1lgr h MET 8 CO 0.07 0.34 -0.01 -0.07 1.06 0.00 0.00 176.91 178.30 1lgr h LEU 9 N 0.53 -0.22 0.03 1.22 4.07 -1.39 0.18 115.31 119.73 1lgr h LEU 9 Ca 0.62 0.12 -0.22 0.00 0.08 0.00 0.00 57.88 58.47 1lgr h LEU 9 Cb 1.29 0.21 0.02 0.00 1.08 0.00 0.00 40.66 43.26 1lgr h LEU 9 CO -0.40 -0.08 -0.89 0.78 -1.08 0.00 0.00 178.44 176.78 1lgr h ASN 10 N 0.11 0.74 0.10 -0.43 4.21 -1.05 -1.45 115.58 117.79 1lgr h ASN 10 Ca 0.24 -0.77 0.00 0.00 1.21 0.00 0.00 56.30 56.98 1lgr h ASN 10 Cb 0.36 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1lgr h ASN 10 CO -0.41 1.42 0.00 -0.08 -1.29 0.00 0.00 177.43 177.07 1lgr h GLU 11 N 0.14 0.00 0.00 0.81 4.81 -0.54 -2.56 114.58 117.24 1lgr h GLU 11 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1lgr h GLU 11 Cb 1.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1lgr h GLU 11 CO 0.17 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.17 1lgr n HIS 12 N -2.56 0.00 -4.29 0.92 8.25 0.62 -5.00 115.22 113.16 1lgr n HIS 12 Ca -0.02 -0.21 -0.35 0.00 -0.26 0.00 0.00 57.72 56.88 1lgr n HIS 12 Cb 0.07 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 1lgr n HIS 12 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1lgr n GLU 13 N -0.21 -1.99 -1.64 -0.41 1.02 -0.86 -4.83 120.64 111.71 1lgr n GLU 13 Ca 0.00 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 1lgr n GLU 13 Cb 0.29 -4.53 -0.03 0.00 -0.02 0.00 0.00 31.44 27.15 1lgr n GLU 13 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lgr s VAL 14 N -3.66 3.01 -0.01 2.62 1.01 -0.60 -4.66 120.40 118.10 1lgr s VAL 14 Ca 0.46 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.56 1lgr s VAL 14 Cb -0.26 -3.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.96 1lgr s VAL 14 CO 0.97 -0.00 1.09 0.11 0.00 0.00 0.00 175.10 177.27 1lgr h LYS 15 N 12.31 0.00 -3.96 2.72 1.57 -0.54 -3.42 116.57 125.25 1lgr h LYS 15 Ca -0.47 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1lgr h LYS 15 Cb 1.24 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.36 1lgr h LYS 15 CO 0.95 0.68 -0.64 -0.06 -0.57 0.00 0.00 179.45 179.81 1lgr s PHE 16 N -2.76 0.29 -0.12 -1.35 0.08 -0.71 -1.38 117.98 112.03 1lgr s PHE 16 Ca -0.00 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.45 1lgr s PHE 16 Cb 0.09 -0.21 -0.00 0.00 -0.57 0.00 0.00 43.02 42.33 1lgr s PHE 16 CO 0.81 -0.28 -0.21 0.08 -0.10 0.00 0.00 175.22 175.52 1lgr s VAL 17 N -2.30 2.31 -0.48 -0.44 1.01 0.78 -0.83 120.40 120.44 1lgr s VAL 17 Ca -0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1lgr s VAL 17 Cb -0.04 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.51 1lgr s VAL 17 CO -0.04 0.55 0.41 -0.62 0.00 0.00 0.00 175.10 175.39 1lgr s ASP 18 N 0.52 6.12 -0.20 3.32 2.15 0.61 -0.49 116.67 128.70 1lgr s ASP 18 Ca -0.13 -1.42 -0.29 0.00 0.43 0.00 0.00 52.55 51.14 1lgr s ASP 18 Cb -0.17 -2.18 -0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1lgr s ASP 18 CO 0.05 -0.68 1.24 -0.76 -0.17 0.00 0.00 175.17 174.85 1lgr s LEU 19 N 1.62 4.12 0.06 -1.34 1.02 0.10 -1.43 118.68 122.83 1lgr s LEU 19 Ca 0.04 1.56 0.09 0.00 0.02 0.00 0.00 54.13 55.83 1lgr s LEU 19 Cb -0.25 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.39 1lgr s LEU 19 CO 0.06 -0.80 -0.24 -0.13 0.02 0.00 0.00 176.35 175.25 1lgr s ARG 20 N 3.57 1.83 0.14 1.70 0.52 -0.81 -0.73 118.95 125.18 1lgr s ARG 20 Ca 0.53 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 1lgr s ARG 20 Cb -0.20 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1lgr s ARG 20 CO 0.15 0.51 0.30 -0.59 0.02 0.00 0.00 175.30 175.69 1lgr s PHE 21 N -0.88 0.20 -0.03 -0.53 -0.71 -0.54 -0.45 117.98 115.04 1lgr s PHE 21 Ca 0.13 -0.58 -0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1lgr s PHE 21 Cb -0.10 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1lgr s PHE 21 CO 0.04 -0.69 0.03 0.99 -1.34 0.00 0.00 175.22 174.25 1lgr s THR 22 N -3.91 4.44 0.33 -4.49 2.01 -1.26 0.26 115.64 113.02 1lgr s THR 22 Ca 0.11 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1lgr s THR 22 Cb 0.03 -2.96 0.06 0.00 0.01 0.00 0.00 72.50 69.64 1lgr s THR 22 CO -0.05 0.45 0.45 -0.90 -0.69 0.00 0.00 174.62 173.88 1lgr n ASP 23 N 1.58 0.66 -0.24 3.53 5.75 -0.73 -4.62 116.55 122.48 1lgr n ASP 23 Ca -0.16 -1.55 -0.06 0.00 -0.01 0.00 0.00 54.79 53.02 1lgr n ASP 23 Cb 0.53 -0.29 0.04 0.00 -1.03 0.00 0.00 41.12 40.37 1lgr n ASP 23 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1lgr h THR 24 N -0.43 1.22 0.00 2.12 2.02 -1.85 -0.57 112.91 115.42 1lgr h THR 24 Ca -0.15 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1lgr h THR 24 Cb 0.57 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1lgr h THR 24 CO 0.17 0.24 -0.02 0.11 0.37 0.00 0.00 175.52 176.39 1lgr h LYS 25 N 0.90 0.00 0.00 6.66 1.57 -1.95 -3.46 116.57 120.29 1lgr h LYS 25 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1lgr h LYS 25 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1lgr h LYS 25 CO -0.03 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 1lgr n GLY 26 N -0.64 0.71 3.69 3.86 0.00 -0.22 -4.37 105.19 108.22 1lgr n GLY 26 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1lgr n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lgr s LYS 27 N -0.55 4.45 -0.04 1.61 2.47 -1.26 -4.70 119.74 121.72 1lgr s LYS 27 Ca 0.00 1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 55.54 1lgr s LYS 27 Cb 0.00 -3.52 -0.05 0.00 -1.46 0.00 0.00 37.83 32.80 1lgr s LYS 27 CO 0.00 -0.26 1.55 -2.00 0.16 0.00 0.00 175.35 174.80 1lgr s GLU 28 N 1.78 4.21 0.29 4.03 2.12 -1.26 -1.77 118.70 128.10 1lgr s GLU 28 Ca 0.50 2.10 0.03 0.00 0.36 0.00 0.00 54.97 57.96 1lgr s GLU 28 Cb -0.20 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 1lgr s GLU 28 CO 0.21 -0.76 0.45 -0.65 -0.54 0.00 0.00 175.26 173.96 1lgr s GLN 29 N 3.47 3.43 -0.01 4.30 -1.52 0.14 -4.97 119.66 124.50 1lgr s GLN 29 Ca 0.69 -0.61 -0.27 0.00 -1.95 0.00 0.00 55.36 53.23 1lgr s GLN 29 Cb -0.32 -2.79 0.06 0.00 -0.22 0.00 0.00 33.01 29.74 1lgr s GLN 29 CO 0.27 0.28 0.59 -3.38 -0.25 0.00 0.00 175.29 172.81 1lgr s HIS 30 N -2.13 -0.54 0.01 0.91 -3.43 -1.26 -1.47 115.29 107.37 1lgr s HIS 30 Ca 0.37 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.46 1lgr s HIS 30 Cb -0.09 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.41 1lgr s HIS 30 CO 0.32 -0.61 -0.03 0.54 -2.00 0.00 0.00 174.74 172.96 1lgr s VAL 31 N -1.68 0.16 -0.11 -5.38 0.11 0.09 -4.99 120.40 108.60 1lgr s VAL 31 Ca -0.09 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1lgr s VAL 31 Cb -0.01 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1lgr s VAL 31 CO 0.05 -0.24 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.53 1lgr s THR 32 N -0.79 2.77 -0.03 5.04 2.01 -1.26 0.01 115.64 123.39 1lgr s THR 32 Ca -0.08 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1lgr s THR 32 Cb -0.06 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1lgr s THR 32 CO -0.00 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.76 1lgr s ILE 33 N 0.21 3.60 0.31 1.82 1.09 0.36 -4.98 121.20 123.61 1lgr s ILE 33 Ca -0.10 -0.65 -0.29 0.00 -1.10 0.00 0.00 60.65 58.51 1lgr s ILE 33 Cb -0.16 -2.51 -0.10 0.00 -1.06 0.00 0.00 42.46 38.63 1lgr s ILE 33 CO 0.06 0.50 1.40 -2.84 -0.10 0.00 0.00 174.94 173.96 1lgr s PRO 34 N -1.10 4.26 0.38 2.79 0.02 -1.26 -0.16 135.00 139.94 1lgr s PRO 34 Ca 0.14 2.34 0.16 0.00 0.02 0.00 0.00 61.00 63.66 1lgr s PRO 34 Cb -0.11 -3.06 1.03 0.00 0.02 0.00 0.00 34.50 32.38 1lgr s PRO 34 CO 0.04 -0.36 1.78 0.00 -0.33 0.00 0.00 177.00 178.13 1lgr h ALA 35 N 3.94 2.11 0.00 -1.55 0.00 -1.47 0.16 119.26 122.45 1lgr h ALA 35 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1lgr h ALA 35 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lgr h ALA 35 CO 0.70 -0.50 0.00 -2.39 0.00 0.00 0.00 179.25 177.06 1lgr n HIS 36 N -4.65 0.00 0.29 0.00 1.44 -1.26 -0.82 115.22 110.21 1lgr n HIS 36 Ca 0.24 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.99 1lgr n HIS 36 Cb 0.80 -0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.92 1lgr n HIS 36 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1lgr n GLN 37 N -0.39 1.19 -3.13 -1.40 1.13 0.04 -4.94 117.38 109.88 1lgr n GLN 37 Ca 0.00 -0.69 -0.42 0.00 -1.94 0.00 0.00 57.00 53.95 1lgr n GLN 37 Cb 0.00 -1.05 -0.07 0.00 0.11 0.00 0.00 30.24 29.23 1lgr n GLN 37 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1lgr s VAL 38 N -0.83 4.91 0.17 5.09 1.01 -0.00 -4.74 120.40 126.01 1lgr s VAL 38 Ca 0.07 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 1lgr s VAL 38 Cb 0.06 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1lgr s VAL 38 CO 0.13 -0.27 0.62 0.54 0.00 0.00 0.00 175.10 176.11 1lgr s ASN 39 N 1.76 -0.53 0.00 3.32 6.03 -1.26 -5.05 114.94 119.21 1lgr s ASN 39 Ca 0.24 -0.07 0.00 0.00 -1.03 0.00 0.00 52.86 52.00 1lgr s ASN 39 Cb -0.15 0.61 0.00 0.00 -3.03 0.00 0.00 41.25 38.69 1lgr s ASN 39 CO 0.14 -1.01 0.00 0.00 -2.03 0.00 0.00 177.10 174.20 1lgr n ALA 40 N -0.39 0.00 -0.34 3.54 0.00 -1.26 -0.52 120.51 121.54 1lgr n ALA 40 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1lgr n ALA 40 Cb 0.64 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.39 1lgr n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lgr n GLU 41 N -2.02 -0.08 0.22 0.00 1.02 -1.26 -1.84 120.64 116.68 1lgr n GLU 41 Ca 0.00 1.47 -0.10 0.00 -0.02 0.00 0.00 57.16 58.51 1lgr n GLU 41 Cb 0.00 -2.35 -0.05 0.00 -0.02 0.00 0.00 31.44 29.02 1lgr n GLU 41 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1lgr h PHE 42 N 0.00 -0.69 0.00 -0.32 3.57 -1.09 0.18 116.94 118.59 1lgr h PHE 42 Ca 0.61 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1lgr h PHE 42 Cb 1.27 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1lgr h PHE 42 CO -0.49 -0.38 0.00 1.19 -2.23 0.00 0.00 178.31 176.41 1lgr n PHE 43 N -3.91 0.48 -0.05 0.41 3.72 -0.83 -0.86 117.46 116.42 1lgr n PHE 43 Ca -0.07 0.23 -0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1lgr n PHE 43 Cb 0.26 -0.87 -0.01 0.00 -0.94 0.00 0.00 39.48 37.92 1lgr n PHE 43 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1lgr h GLU 44 N 0.00 0.00 -0.50 -1.08 4.81 -1.02 -3.43 114.58 113.36 1lgr h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lgr h GLU 44 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1lgr h GLU 44 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1lgr n GLU 45 N -3.97 3.12 0.00 1.92 4.71 0.62 -5.09 120.64 121.95 1lgr n GLU 45 Ca -0.03 -2.54 0.00 0.00 -0.01 0.00 0.00 57.16 54.58 1lgr n GLU 45 Cb 0.13 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1lgr n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lgr n GLY 46 N 0.78 -0.25 3.07 0.62 0.00 -0.04 -4.85 105.19 104.52 1lgr n GLY 46 Ca 0.20 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1lgr n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lgr s LYS 47 N 0.00 1.99 0.29 1.61 -0.14 -0.22 -4.72 119.74 118.56 1lgr s LYS 47 Ca 0.00 -0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 53.80 1lgr s LYS 47 Cb 0.00 -1.60 -0.10 0.00 -1.68 0.00 0.00 37.83 34.45 1lgr s LYS 47 CO 0.00 0.07 1.12 -1.64 -0.76 0.00 0.00 175.35 174.14 1lgr s MET 48 N 0.56 4.58 0.12 1.68 -1.94 -1.26 -0.23 119.30 122.80 1lgr s MET 48 Ca -0.15 1.83 -0.04 0.00 -1.71 0.00 0.00 55.69 55.61 1lgr s MET 48 Cb -0.16 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 1lgr s MET 48 CO 0.05 0.15 0.12 -0.59 -0.01 0.00 0.00 175.02 174.73 1lgr s PHE 49 N -1.19 0.56 -0.82 -0.03 -0.71 0.24 -4.91 117.98 111.12 1lgr s PHE 49 Ca 0.46 -0.97 -0.23 0.00 -1.04 0.00 0.00 56.93 55.14 1lgr s PHE 49 Cb -0.32 -0.28 0.06 0.00 -1.21 0.00 0.00 43.02 41.27 1lgr s PHE 49 CO 0.41 -0.55 1.21 0.34 -1.34 0.00 0.00 175.22 175.29 1lgr s ASP 50 N -2.97 6.33 0.56 1.98 2.15 -1.26 -0.95 116.67 122.50 1lgr s ASP 50 Ca 0.16 -1.13 0.29 0.00 0.43 0.00 0.00 52.55 52.30 1lgr s ASP 50 Cb 0.06 -2.50 1.64 0.00 -0.30 0.00 0.00 42.92 41.83 1lgr s ASP 50 CO -0.03 -1.51 2.15 1.23 -0.17 0.00 0.00 175.17 176.84 1lgr h GLY 51 N 12.05 0.00 -0.34 2.66 0.00 -1.88 -3.32 103.07 112.24 1lgr h GLY 51 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.44 1lgr h GLY 51 CO 1.26 0.00 0.13 0.23 0.00 0.00 0.00 176.54 178.16 1lgr h SER 52 N 0.00 -0.13 -0.12 0.19 0.87 -1.87 -1.13 113.55 111.35 1lgr h SER 52 Ca -0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1lgr h SER 52 Cb 0.20 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1lgr h SER 52 CO 0.01 -0.14 0.00 -1.54 -0.53 0.00 0.00 176.83 174.63 1lgr n SER 53 N -5.26 0.80 -4.70 6.23 3.41 -1.25 -4.71 113.62 108.14 1lgr n SER 53 Ca 0.17 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.54 1lgr n SER 53 Cb 0.56 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1lgr n SER 53 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lgr s ILE 54 N -1.84 4.92 -0.25 -1.33 -1.09 -0.43 -4.98 121.20 116.21 1lgr s ILE 54 Ca 0.18 1.72 -0.34 0.00 -2.23 0.00 0.00 60.65 59.98 1lgr s ILE 54 Cb 0.09 -4.17 -0.11 0.00 -1.58 0.00 0.00 42.46 36.69 1lgr s ILE 54 CO 0.14 0.13 2.07 0.61 -1.23 0.00 0.00 174.94 176.66 1lgr n GLY 55 N 3.16 0.89 1.02 6.18 0.00 -1.26 -2.31 105.19 112.86 1lgr n GLY 55 Ca 0.03 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1lgr n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgr n GLY 56 N 5.60 0.70 0.00 -0.02 0.00 -1.26 -4.43 105.19 105.77 1lgr n GLY 56 Ca 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1lgr n GLY 56 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lgr n TRP 57 N -2.51 0.00 -1.57 1.61 7.02 -0.98 -4.93 117.44 116.09 1lgr n TRP 57 Ca 0.00 0.00 -0.48 0.00 -1.02 0.00 0.00 57.50 56.00 1lgr n TRP 57 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1lgr n TRP 57 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1lgr n ASP 64 N 0.00 1.14 -4.19 -0.99 9.92 -1.26 -4.74 116.55 116.43 1lgr n ASP 64 Ca 0.00 1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 55.30 1lgr n ASP 64 Cb 0.00 -1.21 -0.10 0.00 -0.64 0.00 0.00 41.12 39.17 1lgr n ASP 64 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1lgr s MET 65 N -0.69 1.13 -0.13 -1.24 -1.94 -0.13 -4.74 119.30 111.55 1lgr s MET 65 Ca 0.69 -1.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 1lgr s MET 65 Cb -0.83 0.23 -0.01 0.00 2.01 0.00 0.00 34.83 36.23 1lgr s MET 65 CO 0.54 -0.34 -0.15 0.54 -0.01 0.00 0.00 175.02 175.60 1lgr s VAL 66 N -4.10 2.81 -0.42 -6.03 0.11 -0.74 -0.59 120.40 111.43 1lgr s VAL 66 Ca 0.34 -0.74 -0.27 0.00 -2.93 0.00 0.00 61.98 58.38 1lgr s VAL 66 Cb 0.07 -2.17 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1lgr s VAL 66 CO 0.09 0.53 1.03 -0.76 -3.33 0.00 0.00 175.10 172.66 1lgr s LEU 67 N 0.49 3.84 -0.47 2.54 1.43 0.68 -0.31 118.68 126.88 1lgr s LEU 67 Ca -0.10 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1lgr s LEU 67 Cb -0.16 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.74 1lgr s LEU 67 CO 0.05 -1.06 0.38 -0.32 0.23 0.00 0.00 176.35 175.63 1lgr s MET 68 N 3.96 2.90 0.05 1.70 1.75 0.31 -1.05 119.30 128.91 1lgr s MET 68 Ca 0.43 -1.43 -0.33 0.00 -1.25 0.00 0.00 55.69 53.11 1lgr s MET 68 Cb -0.10 -4.08 -0.12 0.00 2.84 0.00 0.00 34.83 33.37 1lgr s MET 68 CO 0.25 -1.06 1.79 -0.35 -0.65 0.00 0.00 175.02 175.00 1lgr n PRO 69 N 5.15 2.39 -3.12 4.11 -0.04 -1.26 -1.25 135.00 140.97 1lgr n PRO 69 Ca -0.12 0.87 -0.45 0.00 -0.04 0.00 0.00 63.50 63.76 1lgr n PRO 69 Cb 0.43 -2.72 -0.04 0.00 -0.04 0.00 0.00 33.50 31.13 1lgr n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1lgr s ASP 70 N 2.81 6.28 0.15 3.54 2.15 0.13 -4.92 116.67 126.82 1lgr s ASP 70 Ca 0.85 -1.63 0.10 0.00 0.43 0.00 0.00 52.55 52.30 1lgr s ASP 70 Cb -0.61 -2.30 0.53 0.00 -0.30 0.00 0.00 42.92 40.24 1lgr s ASP 70 CO 0.43 -1.05 1.28 0.00 -0.17 0.00 0.00 175.17 175.66 1lgr n ALA 71 N 6.09 0.96 0.19 3.66 0.00 -1.26 -0.78 120.51 129.36 1lgr n ALA 71 Ca -0.04 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1lgr n ALA 71 Cb 0.43 -1.09 0.35 0.00 0.00 0.00 0.00 19.45 19.15 1lgr n ALA 71 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lgr h SER 72 N 0.00 0.00 -0.04 0.00 4.64 -1.91 -3.28 113.55 112.96 1lgr h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lgr h SER 72 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1lgr h SER 72 CO 0.00 0.39 0.00 0.35 -0.87 0.00 0.00 176.83 176.70 1lgr n THR 73 N -3.70 0.05 -1.93 2.95 -2.24 0.04 -4.96 114.28 104.49 1lgr n THR 73 Ca -0.01 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1lgr n THR 73 Cb 0.48 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1lgr n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lgr s ALA 74 N -1.95 3.65 0.02 6.98 0.00 -1.24 -4.43 121.76 124.79 1lgr s ALA 74 Ca 0.29 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1lgr s ALA 74 Cb 0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1lgr s ALA 74 CO 0.23 -1.26 -0.11 0.08 0.00 0.00 0.00 175.76 174.70 1lgr s VAL 75 N 3.34 0.84 0.09 0.00 1.01 -0.45 -4.98 120.40 120.26 1lgr s VAL 75 Ca 0.75 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1lgr s VAL 75 Cb -0.38 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 1lgr s VAL 75 CO 0.32 -0.01 0.93 -0.51 0.00 0.00 0.00 175.10 175.83 1lgr s ILE 76 N -0.73 4.56 -0.19 2.22 1.10 -1.26 0.41 121.20 127.31 1lgr s ILE 76 Ca -0.00 1.99 -0.29 0.00 -0.51 0.00 0.00 60.65 61.84 1lgr s ILE 76 Cb -0.07 -4.29 -0.02 0.00 0.15 0.00 0.00 42.46 38.23 1lgr s ILE 76 CO 0.01 0.32 1.45 -0.62 -2.11 0.00 0.00 174.94 173.98 1lgr s ASP 77 N 0.03 6.67 0.00 4.50 -1.08 0.13 -4.88 116.67 122.04 1lgr s ASP 77 Ca 0.46 1.66 0.19 0.00 -0.52 0.00 0.00 52.55 54.34 1lgr s ASP 77 Cb -0.23 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.74 1lgr s ASP 77 CO 0.29 -1.01 1.59 -0.81 0.52 0.00 0.00 175.17 175.75 1lgr n PRO 78 N 7.17 0.39 -0.01 4.34 -0.04 -1.26 -3.95 135.00 141.64 1lgr n PRO 78 Ca 0.16 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 1lgr n PRO 78 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1lgr n PRO 78 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1lgr n PHE 79 N -1.19 0.00 -1.76 0.54 3.72 -1.26 -5.06 117.46 112.45 1lgr n PHE 79 Ca 0.11 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.12 1lgr n PHE 79 Cb 0.13 -0.05 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1lgr n PHE 79 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1lgr n PHE 80 N -2.42 2.54 0.03 1.38 3.72 -1.25 -4.91 117.46 116.54 1lgr n PHE 80 Ca -0.02 0.43 0.01 0.00 -0.05 0.00 0.00 57.45 57.82 1lgr n PHE 80 Cb 0.53 -2.42 0.35 0.00 -0.94 0.00 0.00 39.48 37.00 1lgr n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lgr h ALA 81 N 1.89 1.47 -2.82 4.37 0.00 -1.97 -3.43 119.26 118.77 1lgr h ALA 81 Ca -0.51 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 1lgr h ALA 81 Cb 1.28 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1lgr h ALA 81 CO 0.59 0.38 -0.50 -0.51 0.00 0.00 0.00 179.25 179.22 1lgr s ASP 82 N -6.77 6.33 -0.20 0.00 1.01 -1.26 -5.01 116.67 110.77 1lgr s ASP 82 Ca -0.07 0.34 -0.30 0.00 0.71 0.00 0.00 52.55 53.23 1lgr s ASP 82 Cb 0.16 -1.98 -0.07 0.00 1.01 0.00 0.00 42.92 42.04 1lgr s ASP 82 CO 0.75 0.27 2.17 -0.24 0.21 0.00 0.00 175.17 178.33 1lgr n SER 83 N 1.02 3.21 -4.14 0.27 2.88 -1.26 -4.85 113.62 110.74 1lgr n SER 83 Ca -0.11 0.36 -0.27 0.00 -1.33 0.00 0.00 58.87 57.51 1lgr n SER 83 Cb 0.53 -1.50 -0.16 0.00 -0.75 0.00 0.00 64.21 62.33 1lgr n SER 83 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1lgr s THR 84 N 7.47 1.55 -0.26 2.46 2.01 -1.26 0.23 115.64 127.83 1lgr s THR 84 Ca 1.00 -0.76 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 1lgr s THR 84 Cb -0.45 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1lgr s THR 84 CO 0.39 0.44 0.13 -0.22 -0.69 0.00 0.00 174.62 174.68 1lgr s LEU 85 N 0.18 3.77 0.01 4.42 1.98 -0.01 -0.69 118.68 128.35 1lgr s LEU 85 Ca -0.08 -0.08 -0.29 0.00 -2.89 0.00 0.00 54.13 50.78 1lgr s LEU 85 Cb -0.14 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.65 1lgr s LEU 85 CO 0.04 -0.03 0.95 -0.63 -1.89 0.00 0.00 176.35 174.78 1lgr s ILE 86 N 1.61 4.83 -0.15 6.68 1.01 0.17 -0.29 121.20 135.07 1lgr s ILE 86 Ca 0.07 2.00 -0.00 0.00 0.00 0.00 0.00 60.65 62.71 1lgr s ILE 86 Cb -0.15 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 38.06 1lgr s ILE 86 CO 0.07 0.19 -0.06 -0.63 0.00 0.00 0.00 174.94 174.51 1lgr s ILE 87 N 0.83 1.10 0.47 2.92 1.01 -0.51 -1.34 121.20 125.67 1lgr s ILE 87 Ca 0.50 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1lgr s ILE 87 Cb -0.21 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.97 1lgr s ILE 87 CO 0.27 0.22 1.20 -0.60 0.00 0.00 0.00 174.94 176.03 1lgr s ARG 88 N 1.65 3.69 0.25 2.79 3.52 -1.26 -1.92 118.95 127.68 1lgr s ARG 88 Ca 0.02 1.87 0.09 0.00 -0.13 0.00 0.00 55.73 57.58 1lgr s ARG 88 Cb -0.14 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.77 1lgr s ARG 88 CO -0.08 -0.63 -0.14 0.00 -0.81 0.00 0.00 175.30 173.64 1lgr s ASP 90 N -3.42 4.66 -0.42 0.00 1.01 -0.38 -4.77 116.67 113.36 1lgr s ASP 90 Ca 0.27 -0.20 -0.23 0.00 0.71 0.00 0.00 52.55 53.09 1lgr s ASP 90 Cb -0.01 -1.05 0.02 0.00 1.01 0.00 0.00 42.92 42.89 1lgr s ASP 90 CO 0.11 0.24 0.78 -0.63 0.21 0.00 0.00 175.17 175.88 1lgr s ILE 91 N -1.11 4.68 0.14 0.77 -1.09 -1.26 -0.53 121.20 122.79 1lgr s ILE 91 Ca 0.20 0.59 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1lgr s ILE 91 Cb -0.11 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1lgr s ILE 91 CO 0.11 -0.61 0.09 -0.76 -1.23 0.00 0.00 174.94 172.54 1lgr s LEU 92 N 3.21 3.69 -0.07 2.97 1.43 0.58 -0.60 118.68 129.89 1lgr s LEU 92 Ca 0.30 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1lgr s LEU 92 Cb -0.12 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1lgr s LEU 92 CO 0.21 0.11 1.37 -0.70 0.23 0.00 0.00 176.35 177.57 1lgr s GLU 93 N -2.82 4.26 0.42 1.70 2.56 -1.26 -1.79 118.70 121.77 1lgr s GLU 93 Ca 0.29 1.87 -0.25 0.00 0.00 0.00 0.00 54.97 56.88 1lgr s GLU 93 Cb -0.11 -3.70 -0.08 0.00 2.00 0.00 0.00 34.13 32.24 1lgr s GLU 93 CO 0.22 -0.64 1.20 -1.25 -0.56 0.00 0.00 175.26 174.22 1lgr s PRO 94 N 2.99 3.96 0.00 4.30 0.04 -1.26 -0.04 135.00 144.99 1lgr s PRO 94 Ca 0.61 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1lgr s PRO 94 Cb -0.28 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1lgr s PRO 94 CO 0.23 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1lgr n GLY 95 N 0.61 1.36 0.32 0.56 0.00 -1.26 -4.22 105.19 102.55 1lgr n GLY 95 Ca 0.05 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1lgr n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1lgr h THR 96 N 0.00 0.37 -6.72 2.61 1.35 -2.00 -3.47 112.91 105.05 1lgr h THR 96 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.31 1lgr h THR 96 Cb 0.00 0.92 -0.16 0.00 -1.73 0.00 0.00 68.15 67.18 1lgr h THR 96 CO 0.00 0.00 -0.87 0.18 -0.25 0.00 0.00 175.52 174.58 1lgr n LEU 97 N -3.61 -1.76 -0.10 3.87 4.32 0.95 -4.92 117.00 115.74 1lgr n LEU 97 Ca -0.01 -1.05 -0.10 0.00 -0.02 0.00 0.00 56.01 54.82 1lgr n LEU 97 Cb 0.18 -2.06 -0.16 0.00 -1.62 0.00 0.00 43.42 39.77 1lgr n LEU 97 CO 0.25 0.35 -1.14 0.00 -1.22 0.00 0.00 177.39 175.63 1lgr n GLN 98 N -4.40 0.69 0.00 3.23 3.00 -1.24 -4.83 117.38 113.83 1lgr n GLN 98 Ca -0.11 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1lgr n GLN 98 Cb 0.58 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1lgr n GLN 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1lgr n GLY 99 N 1.76 1.66 3.74 1.08 0.00 -1.26 -4.84 105.19 107.33 1lgr n GLY 99 Ca -0.33 -0.96 -0.65 0.00 0.00 0.00 0.00 46.02 44.08 1lgr n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1lgr n TYR 100 N 1.49 1.84 1.37 1.61 9.36 0.23 -4.70 117.16 128.36 1lgr n TYR 100 Ca 0.00 0.96 0.00 0.00 3.32 0.00 0.00 57.90 62.18 1lgr n TYR 100 Cb 0.00 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.41 1lgr n TYR 100 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1lgr n ASP 101 N 4.39 0.15 -0.00 2.98 5.68 -1.26 -0.67 116.55 127.81 1lgr n ASP 101 Ca 0.29 -1.52 0.02 0.00 -0.50 0.00 0.00 54.79 53.08 1lgr n ASP 101 Cb -0.00 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1lgr n ASP 101 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1lgr n ARG 102 N -0.38 4.67 -2.45 0.11 0.63 -1.26 -4.30 116.66 113.68 1lgr n ARG 102 Ca 0.00 -0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.49 1lgr n ARG 102 Cb 0.04 -0.74 -0.02 0.00 0.45 0.00 0.00 32.46 32.18 1lgr n ARG 102 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1lgr s ASP 103 N -1.53 6.64 0.42 6.15 2.15 0.16 -4.73 116.67 125.93 1lgr s ASP 103 Ca 0.01 1.04 0.14 0.00 0.43 0.00 0.00 52.55 54.16 1lgr s ASP 103 Cb 0.02 -2.54 1.01 0.00 -0.30 0.00 0.00 42.92 41.11 1lgr s ASP 103 CO 0.13 -1.14 1.96 1.55 -0.17 0.00 0.00 175.17 177.50 1lgr h PRO 104 N 9.39 0.43 -0.07 4.34 0.13 -1.87 -2.06 132.00 142.29 1lgr h PRO 104 Ca -0.25 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1lgr h PRO 104 Cb 1.09 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1lgr h PRO 104 CO 1.05 0.28 0.01 -0.09 -0.23 0.00 0.00 178.00 179.03 1lgr h ARG 105 N 0.44 0.12 -0.34 0.86 2.43 -1.92 -1.63 114.38 114.35 1lgr h ARG 105 Ca 0.31 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 1lgr h ARG 105 Cb 0.62 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 1lgr h ARG 105 CO -0.09 0.33 -0.25 0.77 -1.51 0.00 0.00 179.97 179.21 1lgr h SER 106 N -0.11 -0.83 -0.80 -3.80 0.02 -1.73 -0.27 113.55 106.02 1lgr h SER 106 Ca 0.02 0.16 0.15 0.00 -0.84 0.00 0.00 61.79 61.28 1lgr h SER 106 Cb 0.26 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 1lgr h SER 106 CO 0.00 -0.28 0.37 0.40 -1.14 0.00 0.00 176.83 176.18 1lgr h ILE 107 N -0.21 0.68 -0.35 3.27 2.04 -1.26 0.62 117.51 122.30 1lgr h ILE 107 Ca 0.17 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1lgr h ILE 107 Cb 0.48 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1lgr h ILE 107 CO -0.46 0.10 0.19 0.00 0.00 0.00 0.00 178.15 177.97 1lgr h ALA 108 N 1.56 0.44 -0.66 1.87 0.00 -0.10 -0.93 119.26 121.44 1lgr h ALA 108 Ca 0.44 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1lgr h ALA 108 Cb 0.66 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1lgr h ALA 108 CO -0.39 -0.02 0.44 0.87 0.00 0.00 0.00 179.25 180.14 1lgr h LYS 109 N 0.43 0.86 -0.56 0.00 1.57 0.13 -1.74 116.57 117.26 1lgr h LYS 109 Ca 0.12 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1lgr h LYS 109 Cb 0.07 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1lgr h LYS 109 CO -0.02 0.57 0.35 0.00 -0.57 0.00 0.00 179.45 179.78 1lgr h ARG 110 N 0.88 0.68 -0.77 3.15 3.08 -0.66 -1.23 114.38 119.51 1lgr h ARG 110 Ca 0.25 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.28 1lgr h ARG 110 Cb -0.09 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 1lgr h ARG 110 CO -0.06 0.45 0.51 0.00 -1.07 0.00 0.00 179.97 179.79 1lgr h ALA 111 N 1.24 1.51 -0.13 0.04 0.00 -0.58 0.53 119.26 121.88 1lgr h ALA 111 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1lgr h ALA 111 Cb -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1lgr h ALA 111 CO -0.09 0.43 -0.00 0.93 0.00 0.00 0.00 179.25 180.52 1lgr h GLU 112 N 0.98 0.23 -0.59 0.00 5.08 -0.58 -2.07 114.58 117.63 1lgr h GLU 112 Ca 0.30 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1lgr h GLU 112 Cb -0.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1lgr h GLU 112 CO -0.08 0.47 0.35 -0.44 -1.00 0.00 0.00 179.01 178.32 1lgr h ASP 113 N -0.05 0.72 -1.00 1.42 3.32 -0.94 -1.82 116.42 118.07 1lgr h ASP 113 Ca 0.04 -0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.12 1lgr h ASP 113 Cb 0.37 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1lgr h ASP 113 CO 0.01 0.57 0.64 0.22 -1.72 0.00 0.00 179.24 178.95 1lgr h TYR 114 N 0.80 1.15 -0.54 4.55 3.20 -0.88 0.99 116.97 126.25 1lgr h TYR 114 Ca 0.21 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1lgr h TYR 114 Cb -0.01 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 37.84 1lgr h TYR 114 CO -0.02 0.51 0.30 1.25 -1.64 0.00 0.00 178.16 178.56 1lgr h LEU 115 N 1.05 0.45 -0.11 2.82 6.46 -0.60 -0.74 115.31 124.63 1lgr h LEU 115 Ca 0.47 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.25 1lgr h LEU 115 Cb 0.38 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1lgr h LEU 115 CO -0.23 0.31 0.06 0.03 -0.62 0.00 0.00 178.44 177.99 1lgr h ARG 116 N 0.58 0.15 -0.02 1.25 3.08 -0.76 -2.77 114.38 115.89 1lgr h ARG 116 Ca 0.23 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1lgr h ARG 116 Cb 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1lgr h ARG 116 CO -0.14 0.16 -0.01 0.00 -1.07 0.00 0.00 179.97 178.91 1lgr h ALA 117 N 0.99 1.96 0.00 0.04 0.00 -0.52 0.65 119.26 122.37 1lgr h ALA 117 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lgr h ALA 117 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1lgr h ALA 117 CO -0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1lgr n THR 118 N -4.52 0.31 -1.02 0.00 -2.24 -0.31 -4.91 114.28 101.59 1lgr n THR 118 Ca -0.03 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1lgr n THR 118 Cb 0.10 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1lgr n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lgr n GLY 119 N 1.21 0.11 0.22 3.38 0.00 0.22 -4.81 105.19 105.51 1lgr n GLY 119 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1lgr n GLY 119 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1lgr h ILE 120 N 0.00 1.28 -2.54 -0.61 2.04 -1.83 -3.46 117.51 112.39 1lgr h ILE 120 Ca -0.01 -1.34 0.14 0.00 1.00 0.00 0.00 64.86 64.65 1lgr h ILE 120 Cb 0.90 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 1lgr h ILE 120 CO 0.02 0.41 0.41 0.00 0.00 0.00 0.00 178.15 178.99 1lgr s ALA 121 N -4.36 -1.51 -0.09 1.87 0.00 -1.26 -4.77 121.76 111.64 1lgr s ALA 121 Ca -0.06 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 51.95 1lgr s ALA 121 Cb 0.14 0.70 -0.24 0.00 0.00 0.00 0.00 23.12 23.72 1lgr s ALA 121 CO 0.78 -1.04 0.47 -0.40 0.00 0.00 0.00 175.76 175.56 1lgr n ASP 122 N -0.51 1.11 -4.02 0.00 5.75 0.58 -3.98 116.55 115.48 1lgr n ASP 122 Ca -0.05 0.28 -0.15 0.00 -0.01 0.00 0.00 54.79 54.86 1lgr n ASP 122 Cb 0.60 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 40.44 1lgr n ASP 122 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1lgr s THR 123 N -2.57 0.54 -0.21 2.12 -4.23 -0.48 -4.74 115.64 106.07 1lgr s THR 123 Ca -0.11 -0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 1lgr s THR 123 Cb 0.07 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 1lgr s THR 123 CO 0.80 -0.11 0.08 -0.69 -0.54 0.00 0.00 174.62 174.16 1lgr s VAL 124 N -0.75 4.74 -0.21 2.29 1.01 -1.26 -1.23 120.40 125.00 1lgr s VAL 124 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1lgr s VAL 124 Cb -0.06 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1lgr s VAL 124 CO 0.00 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 174.76 1lgr s LEU 125 N 0.77 3.25 -0.05 3.92 1.02 0.53 -1.96 118.68 126.15 1lgr s LEU 125 Ca 0.04 -0.22 0.04 0.00 0.02 0.00 0.00 54.13 54.00 1lgr s LEU 125 Cb -0.13 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 1lgr s LEU 125 CO 0.02 0.04 -0.15 -0.36 0.02 0.00 0.00 176.35 175.92 1lgr s PHE 126 N 1.16 2.69 -0.40 0.29 0.40 0.77 -1.20 117.98 121.69 1lgr s PHE 126 Ca 0.03 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1lgr s PHE 126 Cb -0.14 -1.64 0.14 0.00 0.51 0.00 0.00 43.02 41.89 1lgr s PHE 126 CO 0.01 0.13 0.25 0.20 0.70 0.00 0.00 175.22 176.52 1lgr s GLY 127 N -0.62 1.22 0.20 4.36 0.00 0.07 -1.67 107.32 110.87 1lgr s GLY 127 Ca 0.09 -2.24 -0.30 0.00 0.00 0.00 0.00 44.72 42.27 1lgr s GLY 127 CO 0.01 1.91 1.03 -4.14 0.00 0.00 0.00 173.10 171.91 1lgr s PRO 128 N 0.60 4.69 -0.88 2.90 0.02 -1.26 -0.73 135.00 140.35 1lgr s PRO 128 Ca 0.21 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1lgr s PRO 128 Cb -0.18 -3.28 0.27 0.00 0.02 0.00 0.00 34.50 31.32 1lgr s PRO 128 CO -0.03 0.24 1.05 0.39 -0.33 0.00 0.00 177.00 178.31 1lgr n GLU 129 N 2.02 3.33 -2.15 5.54 1.02 0.84 -4.71 120.64 126.54 1lgr n GLU 129 Ca 0.01 -4.58 -0.42 0.00 -0.02 0.00 0.00 57.16 52.14 1lgr n GLU 129 Cb 0.47 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 1lgr n GLU 129 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1lgr s PRO 130 N -2.34 4.30 0.15 3.49 0.02 -1.26 -3.35 135.00 136.01 1lgr s PRO 130 Ca 0.34 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.51 1lgr s PRO 130 Cb 0.06 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1lgr s PRO 130 CO 0.01 -0.47 0.11 -1.21 -0.33 0.00 0.00 177.00 175.11 1lgr s GLU 131 N 1.24 2.83 0.16 5.54 2.02 -1.00 -4.46 118.70 125.04 1lgr s GLU 131 Ca 0.65 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 1lgr s GLU 131 Cb -0.37 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1lgr s GLU 131 CO 0.30 0.49 0.05 -0.59 0.02 0.00 0.00 175.26 175.54 1lgr s PHE 132 N -1.69 1.04 0.01 1.61 -0.71 -0.74 -4.74 117.98 112.77 1lgr s PHE 132 Ca 0.30 -1.19 0.05 0.00 -1.04 0.00 0.00 56.93 55.05 1lgr s PHE 132 Cb -0.10 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 1lgr s PHE 132 CO 0.22 -0.43 -0.12 -0.06 -1.34 0.00 0.00 175.22 173.49 1lgr s PHE 133 N -3.93 2.73 -0.51 3.49 0.08 -0.68 -0.85 117.98 118.32 1lgr s PHE 133 Ca 0.27 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.21 1lgr s PHE 133 Cb 0.07 -1.55 0.13 0.00 -0.57 0.00 0.00 43.02 41.10 1lgr s PHE 133 CO 0.04 0.30 0.25 -1.17 -0.10 0.00 0.00 175.22 174.54 1lgr s LEU 134 N -1.34 4.40 0.36 -0.37 2.96 0.08 -0.76 118.68 124.01 1lgr s LEU 134 Ca 0.15 -2.92 0.04 0.00 -0.22 0.00 0.00 54.13 51.18 1lgr s LEU 134 Cb -0.11 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1lgr s LEU 134 CO 0.06 -0.25 0.52 -0.36 -1.32 0.00 0.00 176.35 175.00 1lgr s PHE 135 N -0.16 3.22 -0.11 5.38 0.08 0.39 -4.42 117.98 122.36 1lgr s PHE 135 Ca 0.16 -0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.29 1lgr s PHE 135 Cb -0.25 -2.02 -0.24 0.00 -0.57 0.00 0.00 43.02 39.94 1lgr s PHE 135 CO -0.01 -0.04 0.41 -0.25 -0.10 0.00 0.00 175.22 175.23 1lgr n ASP 136 N -1.75 1.01 -3.71 1.36 8.00 0.13 -0.40 116.55 121.17 1lgr n ASP 136 Ca -0.01 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.62 1lgr n ASP 136 Cb 0.58 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.54 1lgr n ASP 136 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lgr s ASP 137 N -6.17 -0.30 -0.09 -2.24 2.15 0.27 -4.72 116.67 105.56 1lgr s ASP 137 Ca -0.11 0.64 -0.01 0.00 0.43 0.00 0.00 52.55 53.49 1lgr s ASP 137 Cb 0.07 0.54 0.03 0.00 -0.30 0.00 0.00 42.92 43.26 1lgr s ASP 137 CO 0.80 -0.18 -0.02 -0.51 -0.17 0.00 0.00 175.17 175.09 1lgr s ILE 138 N 1.38 0.61 -0.02 4.11 1.10 -1.26 -0.29 121.20 126.83 1lgr s ILE 138 Ca -0.09 -0.07 0.07 0.00 -0.51 0.00 0.00 60.65 60.05 1lgr s ILE 138 Cb -0.10 -0.75 -0.02 0.00 0.15 0.00 0.00 42.46 41.75 1lgr s ILE 138 CO -0.10 0.26 -0.21 -0.13 -2.11 0.00 0.00 174.94 172.65 1lgr s ARG 139 N 1.87 1.75 0.20 3.50 0.52 -0.30 -5.00 118.95 121.50 1lgr s ARG 139 Ca 0.05 -0.76 -0.22 0.00 -0.52 0.00 0.00 55.73 54.27 1lgr s ARG 139 Cb -0.13 -1.69 0.05 0.00 0.52 0.00 0.00 34.95 33.71 1lgr s ARG 139 CO -0.06 0.45 0.65 -0.59 0.02 0.00 0.00 175.30 175.77 1lgr s PHE 140 N -0.48 -0.41 -0.28 -0.53 -0.12 -1.26 0.49 117.98 115.39 1lgr s PHE 140 Ca 0.08 0.11 -0.33 0.00 -0.05 0.00 0.00 56.93 56.74 1lgr s PHE 140 Cb -0.08 0.61 0.18 0.00 -0.63 0.00 0.00 43.02 43.10 1lgr s PHE 140 CO -0.01 -0.99 1.36 0.20 -0.05 0.00 0.00 175.22 175.73 1lgr s GLY 141 N -2.81 -0.04 -0.01 1.99 0.00 0.43 -4.96 107.32 101.91 1lgr s GLY 141 Ca 0.05 2.42 0.01 0.00 0.00 0.00 0.00 44.72 47.20 1lgr s GLY 141 CO -0.06 0.90 -0.02 0.00 0.00 0.00 0.00 173.10 173.93 1lgr s ALA 142 N -1.47 0.21 0.19 3.20 0.00 -1.26 0.08 121.76 122.70 1lgr s ALA 142 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 1lgr s ALA 142 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1lgr s ALA 142 CO -0.06 0.02 0.35 0.45 0.00 0.00 0.00 175.76 176.52 1lgr s SER 143 N 0.22 -0.02 0.26 0.00 0.15 0.70 -4.99 113.70 110.01 1lgr s SER 143 Ca -0.02 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.76 1lgr s SER 143 Cb -0.04 0.48 0.52 0.00 -1.71 0.00 0.00 66.02 65.27 1lgr s SER 143 CO -0.01 -0.96 1.72 -0.29 1.20 0.00 0.00 173.24 174.90 1lgr h ILE 144 N 2.44 0.61 -0.01 6.45 2.10 -2.05 -2.33 117.51 124.72 1lgr h ILE 144 Ca -0.30 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1lgr h ILE 144 Cb 1.24 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1lgr h ILE 144 CO 0.44 0.08 0.00 -1.54 -1.08 0.00 0.00 178.15 176.05 1lgr n SER 145 N -5.02 0.15 0.00 2.19 3.41 -1.26 -4.96 113.62 108.14 1lgr n SER 145 Ca 0.16 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1lgr n SER 145 Cb 0.47 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1lgr n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lgr n GLY 146 N 0.88 -1.94 3.42 5.00 0.00 -0.88 -5.16 105.19 106.52 1lgr n GLY 146 Ca 0.17 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1lgr n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lgr s SER 147 N -1.56 -0.53 0.06 1.61 1.04 -1.26 -0.22 113.70 112.84 1lgr s SER 147 Ca 0.00 0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.29 1lgr s SER 147 Cb 0.00 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.77 1lgr s SER 147 CO 0.00 -0.86 0.74 -1.38 0.98 0.00 0.00 173.24 172.73 1lgr s HIS 148 N -3.11 -0.46 -0.06 5.02 -3.43 0.11 -4.91 115.29 108.45 1lgr s HIS 148 Ca -0.02 0.36 -0.06 0.00 -0.80 0.00 0.00 55.06 54.54 1lgr s HIS 148 Cb -0.01 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.69 1lgr s HIS 148 CO -0.07 -0.68 0.17 0.54 -2.00 0.00 0.00 174.74 172.70 1lgr s VAL 149 N -3.15 0.00 -0.16 -5.38 0.11 -1.26 -0.43 120.40 110.13 1lgr s VAL 149 Ca 0.01 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1lgr s VAL 149 Cb -0.01 -0.25 0.05 0.00 -1.53 0.00 0.00 36.38 34.65 1lgr s VAL 149 CO -0.09 -0.01 0.03 0.00 -3.33 0.00 0.00 175.10 171.70 1lgr s ALA 150 N 0.06 0.87 -0.16 1.54 0.00 0.18 -4.97 121.76 119.28 1lgr s ALA 150 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1lgr s ALA 150 Cb -0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1lgr s ALA 150 CO 0.00 -0.97 0.09 0.42 0.00 0.00 0.00 175.76 175.31 1lgr s ILE 151 N 1.91 5.07 -0.08 0.00 1.01 -1.26 -1.15 121.20 126.69 1lgr s ILE 151 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1lgr s ILE 151 Cb -0.16 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1lgr s ILE 151 CO -0.07 0.52 0.21 -0.62 0.00 0.00 0.00 174.94 174.97 1lgr s ASP 152 N -0.16 -0.21 -0.09 3.58 2.15 0.60 -5.01 116.67 117.52 1lgr s ASP 152 Ca 0.09 0.42 -0.17 0.00 0.43 0.00 0.00 52.55 53.33 1lgr s ASP 152 Cb -0.12 0.39 0.04 0.00 -0.30 0.00 0.00 42.92 42.93 1lgr s ASP 152 CO 0.01 -0.10 0.41 -0.62 -0.17 0.00 0.00 175.17 174.70 1lgr s ASP 153 N 0.46 -0.37 0.48 -0.34 2.15 -1.26 0.19 116.67 117.99 1lgr s ASP 153 Ca -0.03 0.54 0.23 0.00 0.43 0.00 0.00 52.55 53.72 1lgr s ASP 153 Cb -0.04 0.61 1.27 0.00 -0.30 0.00 0.00 42.92 44.46 1lgr s ASP 153 CO -0.02 -0.31 1.91 -0.29 -0.17 0.00 0.00 175.17 176.28 1lgr h ILE 154 N 4.08 0.68 -0.01 4.11 6.09 -1.97 0.22 117.51 130.71 1lgr h ILE 154 Ca -0.28 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1lgr h ILE 154 Cb 1.17 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1lgr h ILE 154 CO 0.32 0.04 -0.03 -0.62 -3.07 0.00 0.00 178.15 174.79 1lgr n GLU 155 N -4.40 1.13 -2.04 2.19 1.02 -1.26 -4.88 120.64 112.39 1lgr n GLU 155 Ca 0.16 -0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 1lgr n GLU 155 Cb 0.72 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 1lgr n GLU 155 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1lgr s GLY 156 N -2.12 1.52 0.50 0.62 0.00 0.76 -2.34 107.32 106.26 1lgr s GLY 156 Ca 0.40 0.87 0.33 0.00 0.00 0.00 0.00 44.72 46.32 1lgr s GLY 156 CO 0.39 3.00 1.76 0.00 0.00 0.00 0.00 173.10 178.25 1lgr h ALA 157 N 9.53 2.92 0.00 3.20 0.00 -1.89 0.34 119.26 133.37 1lgr h ALA 157 Ca -0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1lgr h ALA 157 Cb 1.17 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1lgr h ALA 157 CO 0.96 -1.32 -0.02 0.11 0.00 0.00 0.00 179.25 178.97 1lgr h TRP 158 N 0.11 0.00 0.00 0.00 0.09 -1.93 -2.63 115.95 111.59 1lgr h TRP 158 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.61 1lgr h TRP 158 Cb 2.22 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.46 1lgr h TRP 158 CO -0.00 0.02 0.00 0.09 0.09 0.00 0.00 178.44 178.64 1lgr n ASN 159 N -3.57 0.00 0.01 0.11 5.03 0.12 -3.88 115.26 113.09 1lgr n ASN 159 Ca -0.03 -1.44 0.20 0.00 0.87 0.00 0.00 54.58 54.18 1lgr n ASN 159 Cb 0.12 0.00 0.69 0.00 -1.02 0.00 0.00 39.78 39.57 1lgr n ASN 159 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1lgr h SER 160 N 0.00 0.00 0.48 6.41 4.64 -1.65 -1.25 113.55 122.19 1lgr h SER 160 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lgr h SER 160 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lgr h SER 160 CO 0.00 0.00 -0.73 -1.54 -0.87 0.00 0.00 176.83 173.69 1lgr n SER 161 N -4.38 0.62 -4.74 4.97 3.41 -1.25 -4.98 113.62 107.27 1lgr n SER 161 Ca 0.09 -0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 58.03 1lgr n SER 161 Cb 0.58 0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1lgr n SER 161 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1lgr s THR 162 N -3.09 2.80 -0.08 6.66 2.01 -0.47 -5.03 115.64 118.45 1lgr s THR 162 Ca 0.08 0.65 -0.26 0.00 0.31 0.00 0.00 61.69 62.46 1lgr s THR 162 Cb 0.16 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1lgr s THR 162 CO 0.75 0.09 0.85 -0.54 -0.69 0.00 0.00 174.62 175.08 1lgr s LYS 163 N -0.04 4.43 0.00 4.92 1.02 -1.26 -4.75 119.74 124.06 1lgr s LYS 163 Ca 0.60 1.12 0.07 0.00 0.02 0.00 0.00 55.97 57.79 1lgr s LYS 163 Cb -0.41 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1lgr s LYS 163 CO 0.40 -0.12 0.48 0.66 -0.92 0.00 0.00 175.35 175.85 1lgr n TYR 164 N 4.35 0.00 0.00 3.18 4.01 -1.26 -5.03 117.16 122.41 1lgr n TYR 164 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1lgr n TYR 164 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1lgr n TYR 164 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1lgr n GLU 165 N -0.49 0.00 0.10 -0.72 0.28 -1.26 -4.29 120.64 114.26 1lgr n GLU 165 Ca 0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.00 1lgr n GLU 165 Cb 0.14 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1lgr n GLU 165 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1lgr h GLY 166 N 0.00 0.00 0.00 -1.84 0.00 -2.02 -3.51 103.07 95.70 1lgr h GLY 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lgr h GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1lgr n GLY 167 N 1.18 3.39 0.09 4.60 0.00 -1.26 -5.00 105.19 108.18 1lgr n GLY 167 Ca 0.01 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1lgr n GLY 167 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lgr n ASN 168 N 0.00 0.61 0.00 1.61 2.85 -1.26 -4.53 115.26 114.54 1lgr n ASN 168 Ca 0.00 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1lgr n ASN 168 Cb 0.00 0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1lgr n ASN 168 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1lgr n LYS 169 N -2.86 0.00 -0.32 1.20 4.76 -1.26 -4.75 118.16 114.93 1lgr n LYS 169 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1lgr n LYS 169 Cb 0.95 -3.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.82 1lgr n LYS 169 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lgr n GLY 170 N -1.13 0.00 3.59 0.72 0.00 -1.26 -4.91 105.19 102.20 1lgr n GLY 170 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1lgr n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lgr s HIS 171 N -0.46 3.13 -0.18 1.61 3.76 -1.26 -5.01 115.29 116.88 1lgr s HIS 171 Ca 0.00 0.61 -0.19 0.00 -0.15 0.00 0.00 55.06 55.34 1lgr s HIS 171 Cb 0.00 -3.36 0.05 0.00 1.11 0.00 0.00 32.58 30.38 1lgr s HIS 171 CO 0.00 -0.69 0.52 0.50 -0.85 0.00 0.00 174.74 174.22 1lgr s ARG 172 N 3.06 0.64 0.04 1.40 3.52 -1.26 -4.52 118.95 121.83 1lgr s ARG 172 Ca 0.31 0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.27 1lgr s ARG 172 Cb -0.13 0.31 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 1lgr s ARG 172 CO 0.16 -0.09 1.57 -1.25 -0.81 0.00 0.00 175.30 174.88 1lgr s PRO 173 N 0.12 4.22 1.42 5.12 0.04 -1.26 -4.97 135.00 139.70 1lgr s PRO 173 Ca -0.01 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 1lgr s PRO 173 Cb -0.04 -3.62 0.37 0.00 0.04 0.00 0.00 34.50 31.26 1lgr s PRO 173 CO 0.01 -0.69 0.90 0.41 0.04 0.00 0.00 177.00 177.67 1lgr n GLY 174 N 3.89 -3.77 0.22 0.56 0.00 -1.26 -3.95 105.19 100.88 1lgr n GLY 174 Ca 0.15 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1lgr n GLY 174 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lgr h VAL 175 N -3.48 0.63 -0.83 1.61 -1.51 -1.95 -2.45 116.25 108.26 1lgr h VAL 175 Ca -0.39 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 64.76 1lgr h VAL 175 Cb 1.30 0.63 -0.19 0.00 -2.13 0.00 0.00 31.29 30.90 1lgr h VAL 175 CO 0.24 0.00 0.40 0.29 -1.23 0.00 0.00 177.57 177.27 1lgr n LYS 176 N -5.30 3.26 -0.58 5.19 5.02 -1.26 -2.09 118.16 122.39 1lgr n LYS 176 Ca -0.10 -3.07 0.08 0.00 -2.02 0.00 0.00 58.31 53.19 1lgr n LYS 176 Cb 0.22 -2.21 0.31 0.00 -0.02 0.00 0.00 35.03 33.32 1lgr n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lgr n GLY 177 N -0.48 3.50 0.10 0.72 0.00 -0.92 -4.39 105.19 103.72 1lgr n GLY 177 Ca 0.47 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1lgr n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgr n GLY 178 N 0.08 -1.44 3.51 -0.02 0.00 0.11 -4.42 105.19 103.02 1lgr n GLY 178 Ca 0.23 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1lgr n GLY 178 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lgr s TYR 179 N -3.18 2.59 0.00 1.61 5.04 -1.02 -4.26 117.35 118.13 1lgr s TYR 179 Ca 0.08 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1lgr s TYR 179 Cb 0.11 -4.51 0.00 0.00 0.35 0.00 0.00 41.96 37.91 1lgr s TYR 179 CO 0.47 -1.84 0.00 1.19 -1.34 0.00 0.00 175.55 174.03 1lgr n PHE 180 N 8.36 0.00 -2.00 4.97 3.01 -1.26 -5.03 117.46 125.51 1lgr n PHE 180 Ca 0.14 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.21 1lgr n PHE 180 Cb 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1lgr n PHE 180 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1lgr s PRO 181 N -0.29 3.74 0.88 -1.08 0.02 -1.26 -4.96 135.00 132.05 1lgr s PRO 181 Ca 0.00 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 1lgr s PRO 181 Cb 0.00 -2.60 0.12 0.00 0.02 0.00 0.00 34.50 32.05 1lgr s PRO 181 CO 0.00 -0.68 1.10 0.14 -0.33 0.00 0.00 177.00 177.24 1lgr s VAL 182 N -1.30 2.64 0.48 3.83 -7.23 -1.26 -3.94 120.40 113.62 1lgr s VAL 182 Ca 0.61 0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 60.78 1lgr s VAL 182 Cb -0.38 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 33.95 1lgr s VAL 182 CO 0.48 -0.27 0.51 -2.65 -0.31 0.00 0.00 175.10 172.86 1lgr n PRO 183 N -3.97 0.55 0.00 4.82 -0.02 -1.26 -2.07 135.00 133.05 1lgr n PRO 183 Ca 0.09 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1lgr n PRO 183 Cb 0.53 -1.57 0.73 0.00 -0.02 0.00 0.00 33.50 33.18 1lgr n PRO 183 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1lgr n PRO 184 N 0.41 0.67 -0.23 0.52 -0.04 -1.26 -4.84 135.00 130.22 1lgr n PRO 184 Ca 0.11 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1lgr n PRO 184 Cb 0.43 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1lgr n PRO 184 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1lgr h VAL 185 N 0.00 1.24 -3.38 0.52 2.07 -1.65 -3.34 116.25 111.71 1lgr h VAL 185 Ca 0.00 -0.80 -0.63 0.00 0.82 0.00 0.00 66.70 66.09 1lgr h VAL 185 Cb 0.08 0.54 -0.14 0.00 -1.52 0.00 0.00 31.29 30.25 1lgr h VAL 185 CO 0.00 0.31 0.38 -0.62 0.02 0.00 0.00 177.57 177.67 1lgr s ASP 186 N -6.22 6.35 0.24 0.57 2.15 -1.17 -4.09 116.67 114.49 1lgr s ASP 186 Ca -0.13 -0.36 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1lgr s ASP 186 Cb 0.14 -2.39 0.88 0.00 -0.30 0.00 0.00 42.92 41.25 1lgr s ASP 186 CO 0.81 -1.04 1.75 -1.54 -0.17 0.00 0.00 175.17 174.99 1lgr n SER 187 N 6.92 0.80 -1.54 -0.34 3.41 -1.25 -4.16 113.62 117.47 1lgr n SER 187 Ca 0.00 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1lgr n SER 187 Cb 0.47 -0.82 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 1lgr n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lgr n ALA 188 N -1.80 3.18 -0.02 7.33 0.00 -1.26 -4.63 120.51 123.31 1lgr n ALA 188 Ca 0.04 -1.71 -0.10 0.00 0.00 0.00 0.00 53.44 51.67 1lgr n ALA 188 Cb 0.35 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1lgr n ALA 188 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1lgr h GLN 189 N 3.77 -0.38 -0.26 0.00 5.75 -2.00 0.17 115.11 122.17 1lgr h GLN 189 Ca 0.00 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1lgr h GLN 189 Cb 1.52 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.14 1lgr h GLN 189 CO 0.27 -0.25 -0.03 -0.44 -2.65 0.00 0.00 178.83 175.73 1lgr h ASP 190 N -0.39 0.37 -0.18 -0.69 3.32 -1.95 -0.20 116.42 116.69 1lgr h ASP 190 Ca 0.10 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1lgr h ASP 190 Cb 0.57 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1lgr h ASP 190 CO -0.40 0.46 -0.38 0.40 -1.72 0.00 0.00 179.24 177.60 1lgr h ILE 191 N 0.39 1.34 -0.30 0.35 2.04 -1.56 -2.17 117.51 117.59 1lgr h ILE 191 Ca 0.08 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 1lgr h ILE 191 Cb 0.31 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1lgr h ILE 191 CO 0.01 0.50 0.01 0.03 0.00 0.00 0.00 178.15 178.70 1lgr h ARG 192 N 0.25 0.52 -0.70 2.37 3.08 -0.52 -1.89 114.38 117.49 1lgr h ARG 192 Ca 0.00 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 59.96 1lgr h ARG 192 Cb 0.98 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1lgr h ARG 192 CO 0.08 0.65 0.40 0.77 -1.07 0.00 0.00 179.97 180.81 1lgr h SER 193 N 0.32 0.60 -0.81 7.04 0.02 -1.02 -0.15 113.55 119.55 1lgr h SER 193 Ca 0.09 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1lgr h SER 193 Cb 0.41 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1lgr h SER 193 CO 0.01 0.38 0.53 -0.33 -1.14 0.00 0.00 176.83 176.28 1lgr h GLU 194 N 0.73 1.04 -0.67 3.45 4.39 -1.36 0.45 114.58 122.61 1lgr h GLU 194 Ca 0.32 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1lgr h GLU 194 Cb 0.20 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1lgr h GLU 194 CO -0.19 0.69 0.31 0.52 -1.16 0.00 0.00 179.01 179.18 1lgr h MET 195 N 1.07 0.96 0.04 2.33 2.86 -0.54 0.07 114.93 121.72 1lgr h MET 195 Ca 0.30 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1lgr h MET 195 Cb -0.09 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.40 1lgr h MET 195 CO -0.08 0.75 -0.02 0.00 1.06 0.00 0.00 176.91 178.62 1lgr h LEU 197 N -0.27 0.06 -1.17 0.00 3.38 -0.71 -1.47 115.31 115.12 1lgr h LEU 197 Ca -0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1lgr h LEU 197 Cb 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1lgr h LEU 197 CO 0.01 0.06 -0.17 0.58 0.09 0.00 0.00 178.44 179.02 1lgr h VAL 198 N 0.16 1.22 -0.53 1.22 2.07 -0.95 -1.97 116.25 117.47 1lgr h VAL 198 Ca 0.10 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1lgr h VAL 198 Cb 0.08 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1lgr h VAL 198 CO -0.11 0.32 0.31 0.24 0.02 0.00 0.00 177.57 178.35 1lgr h MET 199 N 0.34 0.73 -0.59 1.57 2.86 -0.26 -2.10 114.93 117.49 1lgr h MET 199 Ca 0.06 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1lgr h MET 199 Cb 0.50 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1lgr h MET 199 CO 0.03 0.54 0.04 0.93 1.06 0.00 0.00 176.91 179.52 1lgr h GLU 200 N 0.72 0.99 -0.01 1.72 5.08 -1.01 -0.58 114.58 121.49 1lgr h GLU 200 Ca 0.19 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1lgr h GLU 200 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1lgr h GLU 200 CO -0.03 0.95 0.05 0.37 -1.00 0.00 0.00 179.01 179.35 1lgr h GLN 201 N 0.92 0.00 -0.68 2.33 4.15 -1.00 0.14 115.11 120.98 1lgr h GLN 201 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1lgr h GLN 201 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1lgr h GLN 201 CO 0.02 0.00 0.00 -1.33 -1.93 0.00 0.00 178.83 175.59 1lgr n MET 202 N -3.15 2.79 -0.26 1.69 2.81 -0.44 -4.84 117.12 115.71 1lgr n MET 202 Ca -0.03 -2.59 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 1lgr n MET 202 Cb 0.12 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1lgr n MET 202 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lgr n GLY 203 N 1.46 0.86 3.95 3.03 0.00 0.50 -5.02 105.19 109.97 1lgr n GLY 203 Ca 0.23 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1lgr n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lgr s LEU 204 N 0.00 4.04 -0.32 0.99 1.02 -0.36 -4.96 118.68 119.09 1lgr s LEU 204 Ca 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1lgr s LEU 204 Cb 0.00 -3.23 0.06 0.00 0.02 0.00 0.00 46.19 43.05 1lgr s LEU 204 CO 0.00 -0.28 0.03 -0.69 0.02 0.00 0.00 176.35 175.43 1lgr s VAL 205 N -2.28 2.95 0.30 -1.59 1.01 -1.26 -3.97 120.40 115.57 1lgr s VAL 205 Ca 0.40 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1lgr s VAL 205 Cb -0.09 -2.79 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 1lgr s VAL 205 CO 0.35 -0.24 1.19 -0.69 0.00 0.00 0.00 175.10 175.70 1lgr s VAL 206 N 1.20 3.16 -0.11 2.92 1.01 -1.26 0.39 120.40 127.69 1lgr s VAL 206 Ca -0.02 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.17 1lgr s VAL 206 Cb -0.20 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1lgr s VAL 206 CO -0.02 0.27 -0.05 -0.62 0.00 0.00 0.00 175.10 174.68 1lgr n GLU 207 N 1.00 1.23 -3.50 2.72 1.02 0.54 -4.80 120.64 118.85 1lgr n GLU 207 Ca -0.01 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 1lgr n GLU 207 Cb 0.44 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1lgr n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lgr s ALA 208 N -2.25 -1.78 0.00 0.62 0.00 -1.14 -5.01 121.76 112.20 1lgr s ALA 208 Ca -0.12 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1lgr s ALA 208 Cb 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1lgr s ALA 208 CO 0.34 -0.58 -0.02 -3.38 0.00 0.00 0.00 175.76 172.13 1lgr s HIS 209 N -2.54 0.14 0.20 0.00 -3.43 -1.26 0.52 115.29 108.93 1lgr s HIS 209 Ca -0.00 -0.05 -0.20 0.00 -0.80 0.00 0.00 55.06 54.01 1lgr s HIS 209 Cb -0.01 -0.09 0.04 0.00 -1.43 0.00 0.00 32.58 31.10 1lgr s HIS 209 CO -0.04 -0.01 0.60 -3.38 -2.00 0.00 0.00 174.74 169.91 1lgr s HIS 210 N -0.10 -0.30 0.35 0.38 -3.43 0.05 -5.00 115.29 107.24 1lgr s HIS 210 Ca -0.00 -0.02 -0.27 0.00 -0.80 0.00 0.00 55.06 53.97 1lgr s HIS 210 Cb -0.01 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.59 1lgr s HIS 210 CO -0.00 -0.97 1.12 -1.58 -2.00 0.00 0.00 174.74 171.30 1lgr s HIS 211 N -3.84 3.32 0.08 0.38 2.46 -1.26 -0.66 115.29 115.76 1lgr s HIS 211 Ca 0.06 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.22 1lgr s HIS 211 Cb -0.02 -3.29 0.02 0.00 -0.13 0.00 0.00 32.58 29.15 1lgr s HIS 211 CO -0.04 -0.86 0.11 0.39 -2.47 0.00 0.00 174.74 171.86 1lgr n GLU 212 N 0.50 0.56 -0.13 2.88 -0.58 0.73 -4.41 120.64 120.19 1lgr n GLU 212 Ca 0.02 -0.30 -0.08 0.00 -0.42 0.00 0.00 57.16 56.39 1lgr n GLU 212 Cb 0.46 -0.07 0.08 0.00 -0.57 0.00 0.00 31.44 31.34 1lgr n GLU 212 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1lgr h VAL 213 N -0.39 1.27 -3.90 2.62 2.07 -1.83 -2.71 116.25 113.36 1lgr h VAL 213 Ca -0.04 -1.25 -0.52 0.00 0.82 0.00 0.00 66.70 65.72 1lgr h VAL 213 Cb 0.13 1.06 0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1lgr h VAL 213 CO 0.04 0.43 0.57 0.00 0.02 0.00 0.00 177.57 178.63 1lgr s ALA 214 N -4.76 3.33 1.39 1.67 0.00 -1.26 0.09 121.76 122.21 1lgr s ALA 214 Ca -0.10 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1lgr s ALA 214 Cb 0.13 -3.43 0.36 0.00 0.00 0.00 0.00 23.12 20.18 1lgr s ALA 214 CO 0.84 -0.58 0.94 -0.08 0.00 0.00 0.00 175.76 176.88 1lgr s THR 215 N -1.25 1.36 -1.50 0.00 -1.32 -0.89 -3.59 115.64 108.45 1lgr s THR 215 Ca 0.52 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.88 1lgr s THR 215 Cb -0.36 -2.03 0.07 0.00 -1.51 0.00 0.00 72.50 68.67 1lgr s THR 215 CO 0.46 0.00 0.97 0.00 -2.21 0.00 0.00 174.62 173.84 1lgr n ALA 216 N -5.56 -1.36 -1.74 11.08 0.00 -0.99 -4.06 120.51 117.88 1lgr n ALA 216 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1lgr n ALA 216 Cb 0.59 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 15.75 1lgr n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lgr n GLY 217 N -1.70 0.77 3.71 0.00 0.00 -1.26 -4.43 105.19 102.27 1lgr n GLY 217 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1lgr n GLY 217 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lgr s GLN 218 N -3.61 4.53 0.12 1.61 0.74 -1.24 -0.74 119.66 121.08 1lgr s GLN 218 Ca 0.00 1.53 0.01 0.00 0.05 0.00 0.00 55.36 56.95 1lgr s GLN 218 Cb 0.00 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1lgr s GLN 218 CO 0.00 -0.09 -0.02 -0.80 -0.55 0.00 0.00 175.29 173.84 1lgr s ASN 219 N 0.92 0.96 -0.11 6.67 -0.87 -0.03 -0.19 114.94 122.29 1lgr s ASN 219 Ca 0.53 -1.10 -0.05 0.00 -1.57 0.00 0.00 52.86 50.67 1lgr s ASN 219 Cb -0.24 0.15 0.05 0.00 -0.02 0.00 0.00 41.25 41.19 1lgr s ASN 219 CO 0.29 -0.56 0.25 -0.70 -2.57 0.00 0.00 177.10 173.81 1lgr s GLU 220 N -3.91 0.21 -0.30 -0.60 2.12 0.16 -1.79 118.70 114.59 1lgr s GLU 220 Ca 0.18 0.56 -0.05 0.00 0.36 0.00 0.00 54.97 56.01 1lgr s GLU 220 Cb 0.06 -0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.36 1lgr s GLU 220 CO -0.01 -0.18 0.06 0.08 -0.54 0.00 0.00 175.26 174.67 1lgr s VAL 221 N 1.38 3.65 -0.04 3.70 1.01 -1.26 -0.77 120.40 128.07 1lgr s VAL 221 Ca -0.08 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 1lgr s VAL 221 Cb -0.10 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1lgr s VAL 221 CO -0.09 0.01 0.90 0.00 0.00 0.00 0.00 175.10 175.92 1lgr s ALA 222 N 1.42 3.25 -0.03 5.51 0.00 0.19 -4.77 121.76 127.33 1lgr s ALA 222 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1lgr s ALA 222 Cb -0.18 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1lgr s ALA 222 CO 0.01 -0.27 -0.16 -0.08 0.00 0.00 0.00 175.76 175.26 1lgr s THR 223 N 1.14 1.32 0.35 0.00 -1.32 -1.26 -0.34 115.64 115.52 1lgr s THR 223 Ca 0.47 -0.68 -0.29 0.00 -1.21 0.00 0.00 61.69 59.98 1lgr s THR 223 Cb -0.20 -1.12 -0.11 0.00 -1.51 0.00 0.00 72.50 69.56 1lgr s THR 223 CO 0.23 0.38 1.53 -1.14 -2.21 0.00 0.00 174.62 173.41 1lgr n ARG 224 N 2.98 2.70 -0.60 7.08 0.63 0.16 -4.86 116.66 124.75 1lgr n ARG 224 Ca -0.17 0.95 -0.31 0.00 -0.92 0.00 0.00 57.85 57.40 1lgr n ARG 224 Cb 0.54 -2.70 0.21 0.00 0.45 0.00 0.00 32.46 30.95 1lgr n ARG 224 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1lgr n PHE 225 N 1.06 -1.36 -3.83 -0.14 1.16 -1.26 -4.66 117.46 108.42 1lgr n PHE 225 Ca 0.04 0.02 -0.09 0.00 -1.87 0.00 0.00 57.45 55.56 1lgr n PHE 225 Cb 0.38 -1.63 0.01 0.00 -1.61 0.00 0.00 39.48 36.64 1lgr n PHE 225 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1lgr s ASN 226 N -2.07 -0.01 0.45 5.98 3.84 -0.67 -5.00 114.94 117.47 1lgr s ASN 226 Ca 0.61 -1.06 -0.23 0.00 0.21 0.00 0.00 52.86 52.40 1lgr s ASN 226 Cb -0.18 0.82 -0.08 0.00 -0.55 0.00 0.00 41.25 41.27 1lgr s ASN 226 CO 0.66 -1.60 1.15 0.42 -2.79 0.00 0.00 177.10 174.94 1lgr s THR 227 N -2.68 3.18 0.00 -5.21 -4.23 -1.26 -0.16 115.64 105.28 1lgr s THR 227 Ca 0.15 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1lgr s THR 227 Cb -0.05 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1lgr s THR 227 CO 0.11 -0.01 0.74 0.80 -0.54 0.00 0.00 174.62 175.72 1lgr n MET 228 N -0.45 0.00 0.26 3.99 0.00 -0.83 -0.47 117.12 119.62 1lgr n MET 228 Ca 0.07 0.74 0.09 0.00 -0.00 0.00 0.00 57.70 58.60 1lgr n MET 228 Cb 0.48 -1.17 0.67 0.00 0.00 0.00 0.00 33.22 33.20 1lgr n MET 228 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1lgr h THR 229 N 0.00 0.93 -0.35 1.12 2.02 -1.92 -0.13 112.91 114.58 1lgr h THR 229 Ca 0.00 -0.12 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 1lgr h THR 229 Cb 0.00 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1lgr h THR 229 CO 0.00 0.03 -0.44 0.50 0.37 0.00 0.00 175.52 175.99 1lgr h LYS 230 N 0.00 0.92 -0.59 6.66 3.11 -1.75 -2.13 116.57 122.79 1lgr h LYS 230 Ca -0.00 -0.51 -0.10 0.00 -2.81 0.00 0.00 60.65 57.23 1lgr h LYS 230 Cb 0.07 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1lgr h LYS 230 CO 0.00 1.16 -0.02 -0.22 -2.81 0.00 0.00 179.45 177.57 1lgr h LYS 231 N 0.73 1.05 -0.62 1.90 1.63 0.20 -0.17 116.57 121.29 1lgr h LYS 231 Ca 0.05 -0.34 0.05 0.00 -0.85 0.00 0.00 60.65 59.56 1lgr h LYS 231 Cb 1.04 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 1lgr h LYS 231 CO 0.10 1.04 0.34 0.00 -3.45 0.00 0.00 179.45 177.48 1lgr h ALA 232 N 0.97 0.82 -0.68 5.00 0.00 -0.92 0.10 119.26 124.55 1lgr h ALA 232 Ca 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1lgr h ALA 232 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1lgr h ALA 232 CO 0.03 0.02 0.21 -0.44 0.00 0.00 0.00 179.25 179.07 1lgr h ASP 233 N 0.64 0.97 0.17 0.00 3.32 -1.00 -2.12 116.42 118.40 1lgr h ASP 233 Ca 0.27 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1lgr h ASP 233 Cb 0.16 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1lgr h ASP 233 CO -0.17 0.90 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.78 1lgr h GLU 234 N 1.00 0.00 -0.35 3.56 5.08 0.21 -0.21 114.58 123.87 1lgr h GLU 234 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1lgr h GLU 234 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1lgr h GLU 234 CO -0.01 0.15 -0.18 0.82 -1.00 0.00 0.00 179.01 178.78 1lgr h ILE 235 N 0.00 1.29 -0.50 3.13 1.08 -0.29 0.21 117.51 122.42 1lgr h ILE 235 Ca -0.00 -1.31 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 1lgr h ILE 235 Cb 0.27 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1lgr h ILE 235 CO 0.02 0.43 0.26 1.56 -0.69 0.00 0.00 178.15 179.73 1lgr h GLN 236 N 0.54 0.69 -0.23 2.37 1.08 -0.63 -0.38 115.11 118.54 1lgr h GLN 236 Ca 0.08 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 1lgr h GLN 236 Cb 0.73 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1lgr h GLN 236 CO 0.05 0.52 -0.48 0.82 -0.95 0.00 0.00 178.83 178.79 1lgr h ILE 237 N 0.70 1.30 -0.11 2.54 2.04 -0.90 -2.65 117.51 120.43 1lgr h ILE 237 Ca 0.18 -1.69 0.04 0.00 1.00 0.00 0.00 64.86 64.39 1lgr h ILE 237 Cb 0.04 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1lgr h ILE 237 CO -0.03 0.54 -0.39 0.22 0.00 0.00 0.00 178.15 178.49 1lgr h TYR 238 N 0.46 -1.09 -0.99 1.37 5.03 -0.08 -0.33 116.97 121.34 1lgr h TYR 238 Ca 0.01 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.40 1lgr h TYR 238 Cb 1.09 0.49 -0.06 0.00 1.55 0.00 0.00 36.73 39.80 1lgr h TYR 238 CO 0.08 -0.45 0.65 0.87 -1.32 0.00 0.00 178.16 177.99 1lgr h LYS 239 N -0.47 1.19 -0.49 1.82 1.57 -1.16 -1.25 116.57 117.77 1lgr h LYS 239 Ca 0.08 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1lgr h LYS 239 Cb 0.60 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1lgr h LYS 239 CO -0.37 0.79 0.18 -0.92 -0.57 0.00 0.00 179.45 178.56 1lgr h TYR 240 N 1.23 0.76 -0.29 -1.35 3.20 -0.84 -0.47 116.97 119.20 1lgr h TYR 240 Ca 0.41 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1lgr h TYR 240 Cb 0.06 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1lgr h TYR 240 CO -0.00 0.65 0.01 0.28 -1.64 0.00 0.00 178.16 177.46 1lgr h VAL 241 N 0.66 1.25 0.03 1.81 2.07 -0.96 -0.23 116.25 120.88 1lgr h VAL 241 Ca 0.16 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1lgr h VAL 241 Cb 0.22 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1lgr h VAL 241 CO -0.01 0.29 -0.05 0.58 0.02 0.00 0.00 177.57 178.40 1lgr h VAL 242 N 0.30 0.87 -0.67 2.57 2.07 -1.04 0.14 116.25 120.50 1lgr h VAL 242 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1lgr h VAL 242 Cb 0.41 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1lgr h VAL 242 CO 0.01 0.00 0.40 0.45 0.02 0.00 0.00 177.57 178.45 1lgr h HIS 243 N -0.11 0.75 0.06 1.57 -0.00 -1.00 -2.19 115.15 114.23 1lgr h HIS 243 Ca 0.01 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.14 1lgr h HIS 243 Cb 0.12 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1lgr h HIS 243 CO -0.11 0.41 -1.28 -0.91 -0.00 0.00 0.00 177.93 176.03 1lgr h ASN 244 N 0.77 0.21 -0.33 2.45 4.21 -0.68 -2.59 115.58 119.61 1lgr h ASN 244 Ca 0.28 -0.26 -0.07 0.00 1.21 0.00 0.00 56.30 57.47 1lgr h ASN 244 Cb 0.07 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1lgr h ASN 244 CO -0.13 1.21 -0.05 0.58 -1.29 0.00 0.00 177.43 177.75 1lgr h VAL 245 N 0.04 1.27 -0.60 2.81 2.07 -0.73 -1.46 116.25 119.65 1lgr h VAL 245 Ca -0.13 -1.07 0.11 0.00 0.82 0.00 0.00 66.70 66.42 1lgr h VAL 245 Cb 1.91 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 1lgr h VAL 245 CO 0.15 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.25 1lgr h ALA 246 N 0.82 0.73 -0.58 1.67 0.00 -1.49 -0.78 119.26 119.63 1lgr h ALA 246 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1lgr h ALA 246 Cb 0.53 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1lgr h ALA 246 CO 0.03 -0.27 0.34 1.25 0.00 0.00 0.00 179.25 180.59 1lgr h HIS 247 N 0.30 0.62 -0.35 0.00 6.17 -1.18 -0.39 115.15 120.32 1lgr h HIS 247 Ca 0.31 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.40 1lgr h HIS 247 Cb 0.44 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 1lgr h HIS 247 CO -0.22 0.33 0.18 0.00 0.71 0.00 0.00 177.93 178.94 1lgr h ARG 248 N 0.65 0.48 -0.01 5.26 3.08 -0.12 -1.81 114.38 121.91 1lgr h ARG 248 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1lgr h ARG 248 Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1lgr h ARG 248 CO -0.13 0.36 0.00 1.19 -1.07 0.00 0.00 179.97 180.33 1lgr n PHE 249 N -4.44 0.01 -0.99 3.04 3.01 -0.43 -4.90 117.46 112.77 1lgr n PHE 249 Ca 0.02 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1lgr n PHE 249 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1lgr n PHE 249 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lgr n GLY 250 N 0.90 0.57 4.03 1.37 0.00 -0.68 -5.03 105.19 106.35 1lgr n GLY 250 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1lgr n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lgr s LYS 251 N -0.01 2.34 -0.05 1.61 -0.14 -0.26 -4.83 119.74 118.40 1lgr s LYS 251 Ca 0.00 -1.59 -0.01 0.00 -1.36 0.00 0.00 55.97 53.02 1lgr s LYS 251 Cb 0.00 -2.65 0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1lgr s LYS 251 CO 0.00 -0.82 0.01 -0.08 -0.76 0.00 0.00 175.35 173.70 1lgr s THR 252 N -2.65 0.21 0.04 2.17 -1.32 0.46 -3.45 115.64 111.09 1lgr s THR 252 Ca 0.61 0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 61.24 1lgr s THR 252 Cb -0.06 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1lgr s THR 252 CO 0.39 0.19 0.20 0.00 -2.21 0.00 0.00 174.62 173.19 1lgr s ALA 253 N 1.55 3.99 -0.02 11.08 0.00 -1.26 -0.46 121.76 136.64 1lgr s ALA 253 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1lgr s ALA 253 Cb -0.13 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1lgr s ALA 253 CO -0.03 0.80 0.04 -0.08 0.00 0.00 0.00 175.76 176.49 1lgr s THR 254 N -1.44 -0.02 -1.20 0.00 -1.32 0.06 -4.91 115.64 106.81 1lgr s THR 254 Ca 0.32 0.06 0.15 0.00 -1.21 0.00 0.00 61.69 61.02 1lgr s THR 254 Cb -0.13 -0.08 0.62 0.00 -1.51 0.00 0.00 72.50 71.40 1lgr s THR 254 CO 0.25 0.03 1.50 0.49 -2.21 0.00 0.00 174.62 174.67 1lgr n PHE 255 N 3.40 1.28 -2.44 9.09 3.72 -1.26 -1.69 117.46 129.55 1lgr n PHE 255 Ca -0.17 -0.51 -0.36 0.00 -0.05 0.00 0.00 57.45 56.36 1lgr n PHE 255 Cb 0.57 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1lgr n PHE 255 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lgr s MET 256 N -1.81 3.99 0.16 -1.08 0.23 -1.26 -3.63 119.30 115.89 1lgr s MET 256 Ca 0.43 1.59 -0.13 0.00 -1.03 0.00 0.00 55.69 56.56 1lgr s MET 256 Cb 0.28 -2.46 0.04 0.00 -1.53 0.00 0.00 34.83 31.16 1lgr s MET 256 CO 0.21 -0.31 1.68 -1.35 -2.03 0.00 0.00 175.02 173.21 1lgr h PRO 257 N 2.27 0.84 -2.42 3.16 0.11 -1.87 -3.39 132.00 130.68 1lgr h PRO 257 Ca -0.49 -0.19 -0.59 0.00 0.11 0.00 0.00 66.00 64.84 1lgr h PRO 257 Cb 1.23 -0.12 -0.39 0.00 0.11 0.00 0.00 31.00 31.83 1lgr h PRO 257 CO 0.61 0.78 -0.93 1.17 -0.21 0.00 0.00 178.00 179.42 1lgr n LYS 258 N -4.45 0.52 0.09 1.05 3.00 -1.26 0.16 118.16 117.26 1lgr n LYS 258 Ca 0.02 -3.40 -0.08 0.00 -0.00 0.00 0.00 58.31 54.85 1lgr n LYS 258 Cb 0.21 -1.72 -0.02 0.00 0.00 0.00 0.00 35.03 33.49 1lgr n LYS 258 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1lgr h PRO 259 N 5.40 0.14 -5.73 1.64 0.13 -1.89 -3.45 132.00 128.25 1lgr h PRO 259 Ca 0.23 -0.17 -0.68 0.00 -0.87 0.00 0.00 66.00 64.51 1lgr h PRO 259 Cb 0.88 0.05 -0.32 0.00 0.13 0.00 0.00 31.00 31.74 1lgr h PRO 259 CO 0.44 0.95 -0.88 -1.64 -0.23 0.00 0.00 178.00 176.64 1lgr s MET 260 N -3.11 2.69 0.22 0.86 -1.94 -1.26 -5.06 119.30 111.70 1lgr s MET 260 Ca -0.02 -0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 52.78 1lgr s MET 260 Cb 0.10 -2.18 -0.08 0.00 2.01 0.00 0.00 34.83 34.68 1lgr s MET 260 CO 0.82 0.30 1.00 0.12 -0.01 0.00 0.00 175.02 177.26 1lgr s PHE 261 N 0.03 3.81 0.00 -0.03 5.36 -1.26 -4.04 117.98 121.85 1lgr s PHE 261 Ca -0.09 1.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 1lgr s PHE 261 Cb -0.15 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1lgr s PHE 261 CO 0.06 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.25 1lgr n GLY 262 N 1.61 0.75 3.57 13.12 0.00 -1.26 -5.04 105.19 117.95 1lgr n GLY 262 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1lgr n GLY 262 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lgr s ASP 263 N -2.49 -0.06 0.36 1.61 2.15 -1.26 -4.89 116.67 112.10 1lgr s ASP 263 Ca 0.00 -0.96 -0.24 0.00 0.43 0.00 0.00 52.55 51.78 1lgr s ASP 263 Cb 0.00 0.58 -0.14 0.00 -0.30 0.00 0.00 42.92 43.07 1lgr s ASP 263 CO 0.00 -1.14 0.61 -3.20 -0.17 0.00 0.00 175.17 171.27 1lgr n ASN 264 N -0.41 -0.61 -4.93 -0.34 4.05 -1.26 -4.87 115.26 106.90 1lgr n ASN 264 Ca -0.01 0.99 -0.23 0.00 0.45 0.00 0.00 54.58 55.78 1lgr n ASN 264 Cb 0.62 -1.11 -0.03 0.00 1.23 0.00 0.00 39.78 40.49 1lgr n ASN 264 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1lgr s GLY 265 N -0.88 1.41 -0.43 8.20 0.00 -1.26 -4.80 107.32 109.55 1lgr s GLY 265 Ca 0.62 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.92 1lgr s GLY 265 CO 0.58 -1.22 0.70 -0.56 0.00 0.00 0.00 173.10 172.61 1lgr s SER 266 N -3.70 6.38 0.28 1.64 0.01 0.12 -5.01 113.70 113.41 1lgr s SER 266 Ca 0.34 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.49 1lgr s SER 266 Cb -0.09 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1lgr s SER 266 CO 0.28 -0.82 0.23 -0.83 0.41 0.00 0.00 173.24 172.52 1lgr s GLY 267 N 2.03 1.51 -0.49 3.44 0.00 -1.26 -4.32 107.32 108.22 1lgr s GLY 267 Ca 0.26 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1lgr s GLY 267 CO 0.20 -1.48 0.25 -0.29 0.00 0.00 0.00 173.10 171.78 1lgr s MET 268 N -3.89 1.75 0.07 2.90 1.75 -0.00 -2.37 119.30 119.50 1lgr s MET 268 Ca 0.35 -2.42 -0.30 0.00 -1.25 0.00 0.00 55.69 52.07 1lgr s MET 268 Cb -0.07 -2.98 -0.05 0.00 2.84 0.00 0.00 34.83 34.56 1lgr s MET 268 CO 0.26 -1.13 1.13 -1.01 -0.65 0.00 0.00 175.02 173.62 1lgr s HIS 269 N -0.09 3.51 -0.38 4.11 3.76 -1.21 -4.21 115.29 120.78 1lgr s HIS 269 Ca 0.17 1.44 -0.16 0.00 -0.15 0.00 0.00 55.06 56.36 1lgr s HIS 269 Cb -0.25 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.11 1lgr s HIS 269 CO -0.00 -0.89 0.40 0.00 -0.85 0.00 0.00 174.74 173.40 1lgr s HIS 271 N 2.07 3.66 0.09 0.00 3.76 0.10 -0.35 115.29 124.62 1lgr s HIS 271 Ca 0.12 1.59 0.08 0.00 -0.15 0.00 0.00 55.06 56.70 1lgr s HIS 271 Cb -0.17 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.46 1lgr s HIS 271 CO 0.13 0.05 -0.20 -1.64 -0.85 0.00 0.00 174.74 172.23 1lgr s MET 272 N 0.80 1.07 -0.09 1.40 -1.94 0.65 -0.75 119.30 120.43 1lgr s MET 272 Ca 0.47 -1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 53.16 1lgr s MET 272 Cb -0.20 -1.28 0.04 0.00 2.01 0.00 0.00 34.83 35.40 1lgr s MET 272 CO 0.26 0.30 0.43 0.45 -0.01 0.00 0.00 175.02 176.44 1lgr s SER 273 N -1.86 -0.39 0.02 3.03 0.15 -0.34 -1.27 113.70 113.05 1lgr s SER 273 Ca 0.05 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1lgr s SER 273 Cb -0.10 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1lgr s SER 273 CO 0.04 -0.35 -0.07 -0.76 1.20 0.00 0.00 173.24 173.30 1lgr s LEU 274 N -0.62 3.15 -0.03 3.45 1.43 -1.26 -0.35 118.68 124.45 1lgr s LEU 274 Ca -0.07 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1lgr s LEU 274 Cb -0.03 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1lgr s LEU 274 CO 0.04 0.27 0.07 0.00 0.23 0.00 0.00 176.35 176.96 1lgr s ALA 275 N -1.02 -0.07 -0.01 4.21 0.00 -0.36 -1.68 121.76 122.83 1lgr s ALA 275 Ca 0.18 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1lgr s ALA 275 Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1lgr s ALA 275 CO 0.08 -0.11 -0.10 0.21 0.00 0.00 0.00 175.76 175.84 1lgr s LYS 276 N 0.92 2.50 -0.29 0.00 2.47 -0.68 -0.30 119.74 124.35 1lgr s LYS 276 Ca -0.07 -0.73 -0.07 0.00 -1.56 0.00 0.00 55.97 53.54 1lgr s LYS 276 Cb -0.10 -2.44 0.01 0.00 -1.46 0.00 0.00 37.83 33.84 1lgr s LYS 276 CO -0.03 0.61 0.13 0.09 0.16 0.00 0.00 175.35 176.30 1lgr n ASN 277 N 1.81 -0.74 0.00 1.43 3.02 -1.26 -0.18 115.26 119.34 1lgr n ASN 277 Ca -0.16 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1lgr n ASN 277 Cb 0.52 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1lgr n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lgr n GLY 278 N -1.22 0.30 3.21 7.41 0.00 -1.26 -4.99 105.19 108.63 1lgr n GLY 278 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1lgr n GLY 278 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lgr s THR 279 N -1.62 1.59 -0.80 2.61 -4.23 0.74 -5.08 115.64 108.85 1lgr s THR 279 Ca 0.00 -0.86 -0.26 0.00 -1.18 0.00 0.00 61.69 59.39 1lgr s THR 279 Cb 0.00 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.55 1lgr s THR 279 CO 0.00 0.45 1.31 0.21 -0.54 0.00 0.00 174.62 176.05 1lgr s ASN 280 N -0.45 6.24 0.60 3.99 2.47 -1.26 -1.69 114.94 124.84 1lgr s ASN 280 Ca 0.07 -0.69 0.28 0.00 0.42 0.00 0.00 52.86 52.94 1lgr s ASN 280 Cb -0.08 -2.56 1.44 0.00 -1.45 0.00 0.00 41.25 38.60 1lgr s ASN 280 CO -0.01 -1.75 1.85 -0.07 -3.72 0.00 0.00 177.10 173.40 1lgr h LEU 281 N 12.93 0.00 -0.21 3.21 4.07 -1.67 -0.87 115.31 132.78 1lgr h LEU 281 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1lgr h LEU 281 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1lgr h LEU 281 CO 1.31 0.00 0.00 -0.26 -1.08 0.00 0.00 178.44 178.41 1lgr h PHE 282 N 0.00 0.00 -4.11 1.13 -1.00 -1.85 -3.40 116.94 107.71 1lgr h PHE 282 Ca 0.20 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.51 1lgr h PHE 282 Cb 1.24 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.82 1lgr h PHE 282 CO 0.00 0.00 0.37 0.45 -1.61 0.00 0.00 178.31 177.52 1lgr s SER 283 N -5.58 6.39 0.00 2.17 0.15 -0.33 -0.96 113.70 115.54 1lgr s SER 283 Ca 0.07 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1lgr s SER 283 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1lgr s SER 283 CO 0.62 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1lgr n GLY 284 N -0.62 -0.61 0.00 9.45 0.00 0.22 -3.77 105.19 109.87 1lgr n GLY 284 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1lgr n GLY 284 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lgr n ASP 285 N 0.00 0.00 0.00 1.61 5.75 -1.14 -4.27 116.55 118.50 1lgr n ASP 285 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1lgr n ASP 285 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1lgr n ASP 285 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lgr n LYS 286 N 0.00 0.00 -1.69 0.11 4.76 -1.20 -2.50 118.16 117.64 1lgr n LYS 286 Ca 0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 1lgr n LYS 286 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1lgr n LYS 286 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1lgr n TYR 287 N 0.00 2.54 -4.03 2.13 9.36 -1.26 -3.65 117.16 122.25 1lgr n TYR 287 Ca 0.00 -0.05 -0.33 0.00 3.32 0.00 0.00 57.90 60.83 1lgr n TYR 287 Cb 0.00 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.01 1lgr n TYR 287 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1lgr n ALA 288 N 5.33 -1.23 -0.71 2.98 0.00 -1.26 -1.08 120.51 124.55 1lgr n ALA 288 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1lgr n ALA 288 Cb 0.35 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.12 1lgr n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lgr n GLY 289 N -1.43 0.75 3.85 0.00 0.00 -1.22 -4.97 105.19 102.17 1lgr n GLY 289 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1lgr n GLY 289 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lgr s LEU 290 N 0.00 3.86 0.66 0.99 1.43 -0.24 0.71 118.68 126.08 1lgr s LEU 290 Ca 0.00 1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 1lgr s LEU 290 Cb 0.00 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 42.00 1lgr s LEU 290 CO 0.00 -0.39 0.99 -0.94 0.23 0.00 0.00 176.35 176.24 1lgr s SER 291 N -2.74 5.33 0.43 2.29 1.04 -0.13 -2.90 113.70 117.01 1lgr s SER 291 Ca 0.56 0.77 0.12 0.00 0.48 0.00 0.00 55.95 57.88 1lgr s SER 291 Cb -0.10 -1.62 0.95 0.00 0.10 0.00 0.00 66.02 65.36 1lgr s SER 291 CO 0.25 -1.29 2.00 -0.08 0.98 0.00 0.00 173.24 175.09 1lgr h GLU 292 N -0.44 0.16 -0.31 4.02 4.57 -1.91 -1.94 114.58 118.74 1lgr h GLU 292 Ca -0.45 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1lgr h GLU 292 Cb 1.27 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1lgr h GLU 292 CO 0.62 0.25 0.15 0.37 -1.18 0.00 0.00 179.01 179.22 1lgr h GLN 293 N 0.16 0.31 -0.27 1.92 5.75 -1.93 -1.45 115.11 119.61 1lgr h GLN 293 Ca 0.04 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1lgr h GLN 293 Cb 0.23 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1lgr h GLN 293 CO 0.01 0.21 0.09 0.00 -2.65 0.00 0.00 178.83 176.49 1lgr h ALA 294 N 1.16 0.35 -0.92 3.38 0.00 -1.69 -2.07 119.26 119.46 1lgr h ALA 294 Ca 0.13 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1lgr h ALA 294 Cb 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1lgr h ALA 294 CO -0.09 -0.04 0.57 -0.07 0.00 0.00 0.00 179.25 179.63 1lgr h LEU 295 N 0.27 0.88 -1.16 0.00 4.07 -0.97 -0.78 115.31 117.62 1lgr h LEU 295 Ca 0.09 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 1lgr h LEU 295 Cb 0.21 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1lgr h LEU 295 CO -0.00 0.53 -0.33 1.88 -1.08 0.00 0.00 178.44 179.44 1lgr h TYR 296 N 1.00 0.18 0.29 1.13 0.05 -1.04 -0.68 116.97 117.89 1lgr h TYR 296 Ca 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 1lgr h TYR 296 Cb 0.27 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1lgr h TYR 296 CO -0.02 0.47 -0.19 -0.92 -1.05 0.00 0.00 178.16 176.45 1lgr h TYR 297 N 0.14 -0.49 -0.49 4.88 5.03 -0.48 -0.07 116.97 125.49 1lgr h TYR 297 Ca 0.02 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.42 1lgr h TYR 297 Cb 0.65 0.18 -0.08 0.00 1.55 0.00 0.00 36.73 39.04 1lgr h TYR 297 CO 0.01 -0.29 0.05 0.82 -1.32 0.00 0.00 178.16 177.42 1lgr h ILE 298 N -0.47 0.66 -0.99 1.81 2.04 -0.98 -1.07 117.51 118.52 1lgr h ILE 298 Ca -0.03 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.88 1lgr h ILE 298 Cb 0.39 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1lgr h ILE 298 CO 0.02 0.03 0.63 1.23 0.00 0.00 0.00 178.15 180.06 1lgr h GLY 299 N 0.17 1.57 0.89 5.37 0.00 -0.78 0.50 103.07 110.78 1lgr h GLY 299 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1lgr h GLY 299 CO -0.37 0.21 -0.07 -1.33 0.00 0.00 0.00 176.54 174.98 1lgr h GLY 300 N 1.03 0.62 0.84 4.60 0.00 0.10 0.54 103.07 110.79 1lgr h GLY 300 Ca 0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1lgr h GLY 300 CO -0.23 0.46 -0.29 -2.08 0.00 0.00 0.00 176.54 174.40 1lgr h VAL 301 N 0.34 0.39 -0.73 4.60 2.07 -0.70 -0.96 116.25 121.26 1lgr h VAL 301 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1lgr h VAL 301 Cb 0.55 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1lgr h VAL 301 CO 0.03 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.46 1lgr h ILE 302 N -0.71 1.04 -0.93 4.57 2.04 -0.92 0.38 117.51 122.99 1lgr h ILE 302 Ca -0.05 -0.28 0.11 0.00 1.00 0.00 0.00 64.86 65.64 1lgr h ILE 302 Cb 0.59 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1lgr h ILE 302 CO 0.04 0.15 0.59 0.50 0.00 0.00 0.00 178.15 179.43 1lgr h LYS 303 N 0.83 0.88 -0.31 2.37 1.63 -0.69 -3.03 116.57 118.24 1lgr h LYS 303 Ca 0.31 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1lgr h LYS 303 Cb 0.11 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1lgr h LYS 303 CO -0.15 0.58 0.00 0.72 -3.45 0.00 0.00 179.45 177.15 1lgr n HIS 304 N -4.55 0.41 -0.31 1.91 8.25 -0.38 -4.80 115.22 115.75 1lgr n HIS 304 Ca 0.16 -0.38 -0.01 0.00 -0.26 0.00 0.00 57.72 57.24 1lgr n HIS 304 Cb 0.33 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.48 1lgr n HIS 304 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lgr h ALA 305 N 2.43 0.24 -0.21 -1.41 0.00 -0.16 0.45 119.26 120.60 1lgr h ALA 305 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1lgr h ALA 305 Cb 0.72 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1lgr h ALA 305 CO 0.00 -0.57 0.14 0.87 0.00 0.00 0.00 179.25 179.69 1lgr h LYS 306 N -0.05 0.28 -0.05 0.00 1.57 -1.87 0.11 116.57 116.56 1lgr h LYS 306 Ca 0.34 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.88 1lgr h LYS 306 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1lgr h LYS 306 CO -0.87 0.19 -0.86 0.00 -0.57 0.00 0.00 179.45 177.35 1lgr h ALA 307 N 1.86 0.41 -0.93 3.86 0.00 -1.21 -2.96 119.26 120.29 1lgr h ALA 307 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1lgr h ALA 307 Cb -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1lgr h ALA 307 CO -0.02 0.76 0.62 0.82 0.00 0.00 0.00 179.25 181.43 1lgr h ILE 308 N 0.32 1.24 -0.84 0.00 2.04 -0.36 -2.63 117.51 117.26 1lgr h ILE 308 Ca -0.06 -0.43 0.15 0.00 1.00 0.00 0.00 64.86 65.51 1lgr h ILE 308 Cb 1.47 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1lgr h ILE 308 CO 0.15 0.23 0.55 0.78 0.00 0.00 0.00 178.15 179.87 1lgr h ASN 309 N 1.26 0.54 -0.02 1.72 -0.26 -0.65 0.26 115.58 118.43 1lgr h ASN 309 Ca 0.34 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 56.12 1lgr h ASN 309 Cb -0.14 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.05 1lgr h ASN 309 CO -0.08 0.27 0.04 0.00 -1.06 0.00 0.00 177.43 176.61 1lgr h ALA 310 N 1.62 1.30 0.00 -0.83 0.00 -1.46 0.20 119.26 120.08 1lgr h ALA 310 Ca 0.42 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1lgr h ALA 310 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1lgr h ALA 310 CO -0.17 -0.05 -1.81 1.28 0.00 0.00 0.00 179.25 178.50 1lgr n LEU 311 N -3.44 2.14 0.10 0.00 4.77 0.06 -4.31 117.00 116.32 1lgr n LEU 311 Ca -0.02 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1lgr n LEU 311 Cb 0.12 -0.28 0.23 0.00 -2.33 0.00 0.00 43.42 41.15 1lgr n LEU 311 CO 0.23 0.61 0.55 0.00 -1.33 0.00 0.00 177.39 177.45 1lgr h ALA 312 N 0.16 0.77 -2.01 -1.18 0.00 -0.50 -3.36 119.26 113.13 1lgr h ALA 312 Ca -0.32 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 1lgr h ALA 312 Cb 1.56 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.95 1lgr h ALA 312 CO -0.03 0.00 -1.16 0.09 0.00 0.00 0.00 179.25 178.15 1lgr n ASN 313 N -2.36 0.84 -0.43 0.00 4.13 0.68 -1.35 115.26 116.77 1lgr n ASN 313 Ca 0.04 -2.97 0.06 0.00 1.68 0.00 0.00 54.58 53.38 1lgr n ASN 313 Cb 0.46 -0.62 0.21 0.00 -1.54 0.00 0.00 39.78 38.29 1lgr n ASN 313 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1lgr n PRO 314 N 0.49 1.54 -4.45 3.52 -0.04 -1.25 -4.67 135.00 130.14 1lgr n PRO 314 Ca 0.24 -0.84 -0.30 0.00 -0.04 0.00 0.00 63.50 62.57 1lgr n PRO 314 Cb 0.62 -1.24 -0.12 0.00 -0.04 0.00 0.00 33.50 32.72 1lgr n PRO 314 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1lgr s THR 315 N -1.73 2.84 0.34 0.52 -4.23 -1.26 -4.96 115.64 107.15 1lgr s THR 315 Ca 0.21 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 1lgr s THR 315 Cb 0.11 -2.26 0.31 0.00 1.34 0.00 0.00 72.50 72.00 1lgr s THR 315 CO 0.15 0.20 1.87 0.71 -0.54 0.00 0.00 174.62 177.01 1lgr h THR 316 N 3.70 0.88 -0.02 3.99 1.35 -1.94 -1.12 112.91 119.76 1lgr h THR 316 Ca -0.49 -0.27 0.01 0.00 -0.55 0.00 0.00 66.41 65.11 1lgr h THR 316 Cb 1.16 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1lgr h THR 316 CO 0.47 0.14 0.02 -1.13 -0.25 0.00 0.00 175.52 174.77 1lgr h ASN 317 N 0.79 0.00 -0.95 5.36 -0.73 -1.96 -2.46 115.58 115.63 1lgr h ASN 317 Ca 0.45 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.77 1lgr h ASN 317 Cb 0.60 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.11 1lgr h ASN 317 CO -0.21 0.00 0.60 0.28 -0.37 0.00 0.00 177.43 177.73 1lgr h SER 318 N 0.00 0.73 1.29 1.15 0.02 -1.51 -0.94 113.55 114.30 1lgr h SER 318 Ca 0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1lgr h SER 318 Cb 0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1lgr h SER 318 CO -0.00 0.34 0.00 -1.22 -1.14 0.00 0.00 176.83 174.81 1lgr n TYR 319 N -4.62 0.64 0.25 3.45 4.01 -0.93 -1.91 117.16 118.05 1lgr n TYR 319 Ca 0.20 0.19 0.12 0.00 -0.16 0.00 0.00 57.90 58.25 1lgr n TYR 319 Cb 0.49 -0.81 0.61 0.00 -0.31 0.00 0.00 39.34 39.32 1lgr n TYR 319 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1lgr h LYS 320 N 0.00 0.00 0.09 -0.72 6.56 -1.28 -3.12 116.57 118.09 1lgr h LYS 320 Ca 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 1lgr h LYS 320 Cb 0.65 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1lgr h LYS 320 CO 0.00 0.15 -0.81 -0.09 -2.06 0.00 0.00 179.45 176.64 1lgr h ARG 321 N 0.00 0.19 -3.26 3.15 2.43 -1.43 -3.39 114.38 112.07 1lgr h ARG 321 Ca -0.00 -0.33 -0.68 0.00 -0.81 0.00 0.00 59.98 58.16 1lgr h ARG 321 Cb 0.55 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1lgr h ARG 321 CO 0.02 1.16 3.65 1.28 -1.51 0.00 0.00 179.97 184.56 1lgr n LEU 322 N -4.21 8.27 -4.47 3.80 4.77 -0.97 -4.80 117.00 119.39 1lgr n LEU 322 Ca -0.17 -4.32 -0.31 0.00 -0.03 0.00 0.00 56.01 51.18 1lgr n LEU 322 Cb 0.75 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.14 1lgr n LEU 322 CO 0.41 1.82 -0.49 0.68 -1.33 0.00 0.00 177.39 178.49 1lgr s VAL 323 N 2.38 2.84 0.00 4.08 -7.23 -1.25 -4.89 120.40 116.32 1lgr s VAL 323 Ca 0.64 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1lgr s VAL 323 Cb 0.17 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1lgr s VAL 323 CO -0.07 0.29 0.44 -2.65 -0.31 0.00 0.00 175.10 172.80 1lgr n PRO 324 N 1.41 0.00 -0.16 4.82 -0.02 -1.26 -4.84 135.00 134.94 1lgr n PRO 324 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 1lgr n PRO 324 Cb 0.52 -0.55 -0.03 0.00 -0.02 0.00 0.00 33.50 33.42 1lgr n PRO 324 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1lgr n PRO 329 N 2.26 0.06 0.04 0.52 -0.04 -1.26 -5.22 135.00 131.37 1lgr n PRO 329 Ca 0.00 -0.67 -0.01 0.00 -0.04 0.00 0.00 63.50 62.79 1lgr n PRO 329 Cb 0.22 -2.15 -0.07 0.00 -0.04 0.00 0.00 33.50 31.45 1lgr n PRO 329 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1lgr h VAL 330 N 4.25 0.63 -2.80 0.52 -1.51 -1.89 -3.41 116.25 112.04 1lgr h VAL 330 Ca 0.08 -2.15 -0.57 0.00 -1.23 0.00 0.00 66.70 62.83 1lgr h VAL 330 Cb 0.19 2.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1lgr h VAL 330 CO 1.29 0.36 1.22 -0.04 -1.23 0.00 0.00 177.57 179.18 1lgr s MET 331 N -2.89 3.43 -1.04 5.19 -1.94 -1.23 -1.47 119.30 119.35 1lgr s MET 331 Ca -0.02 1.36 -0.23 0.00 -1.71 0.00 0.00 55.69 55.08 1lgr s MET 331 Cb 0.08 -4.15 -0.05 0.00 2.01 0.00 0.00 34.83 32.73 1lgr s MET 331 CO 0.80 -1.74 1.89 -0.51 -0.01 0.00 0.00 175.02 175.45 1lgr s LEU 332 N 6.43 3.19 -0.12 -0.03 1.02 0.12 -0.68 118.68 128.60 1lgr s LEU 332 Ca 0.75 -1.21 -0.17 0.00 0.02 0.00 0.00 54.13 53.53 1lgr s LEU 332 Cb -0.21 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.47 1lgr s LEU 332 CO 0.33 -2.69 0.45 0.00 0.02 0.00 0.00 176.35 174.46 1lgr s ALA 333 N 9.71 -1.12 0.08 4.21 0.00 -1.26 -4.54 121.76 128.83 1lgr s ALA 333 Ca 0.67 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 1lgr s ALA 333 Cb -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1lgr s ALA 333 CO 0.04 -0.24 0.26 1.52 0.00 0.00 0.00 175.76 177.34 1lgr s TYR 334 N -0.28 3.51 -0.16 0.00 1.13 -1.26 -1.66 117.35 118.64 1lgr s TYR 334 Ca -0.04 0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 55.69 1lgr s TYR 334 Cb -0.03 -1.86 0.12 0.00 -1.10 0.00 0.00 41.96 39.09 1lgr s TYR 334 CO 0.02 0.55 0.96 0.45 -2.51 0.00 0.00 175.55 175.03 1lgr s SER 335 N -2.39 -0.41 0.02 -0.18 0.15 -0.34 -3.10 113.70 107.45 1lgr s SER 335 Ca 0.36 0.47 0.14 0.00 0.70 0.00 0.00 55.95 57.62 1lgr s SER 335 Cb -0.13 0.37 -0.18 0.00 -1.71 0.00 0.00 66.02 64.37 1lgr s SER 335 CO 0.26 -0.36 0.80 0.00 1.20 0.00 0.00 173.24 175.14 1lgr h ALA 336 N 2.73 0.70 0.00 5.45 0.00 -1.88 -0.16 119.26 126.10 1lgr h ALA 336 Ca -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1lgr h ALA 336 Cb 1.16 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1lgr h ALA 336 CO 0.30 1.28 -0.13 0.00 0.00 0.00 0.00 179.25 180.70 1lgr h ARG 337 N 0.00 0.00 -5.30 0.00 -0.00 -1.88 -3.46 114.38 103.74 1lgr h ARG 337 Ca -0.21 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.27 1lgr h ARG 337 Cb 1.81 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.78 1lgr h ARG 337 CO 0.07 0.00 0.01 1.21 0.00 0.00 0.00 179.97 181.26 1lgr s ASN 338 N -4.23 3.77 -1.25 7.04 2.47 -1.24 -4.88 114.94 116.63 1lgr s ASN 338 Ca -0.04 -0.12 -0.19 0.00 0.42 0.00 0.00 52.86 52.93 1lgr s ASN 338 Cb 0.01 -2.56 0.06 0.00 -1.45 0.00 0.00 41.25 37.31 1lgr s ASN 338 CO 0.06 -4.08 1.71 -0.13 -3.72 0.00 0.00 177.10 170.94 1lgr s ARG 339 N 8.85 3.85 0.00 0.43 1.81 -1.26 -0.81 118.95 131.82 1lgr s ARG 339 Ca 0.91 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1lgr s ARG 339 Cb -0.12 -5.49 0.00 0.00 -0.45 0.00 0.00 34.95 28.89 1lgr s ARG 339 CO 0.10 -2.34 0.00 0.45 -0.68 0.00 0.00 175.30 172.82 1lgr n SER 340 N 8.81 0.00 -4.70 0.23 2.88 -1.26 -5.03 113.62 114.55 1lgr n SER 340 Ca 0.46 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.58 1lgr n SER 340 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1lgr n SER 340 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lgr s ALA 341 N -0.59 3.53 -0.83 -1.46 0.00 0.01 -3.51 121.76 118.91 1lgr s ALA 341 Ca 0.00 0.93 0.20 0.00 0.00 0.00 0.00 51.96 53.08 1lgr s ALA 341 Cb 0.00 -3.54 0.82 0.00 0.00 0.00 0.00 23.12 20.40 1lgr s ALA 341 CO 0.00 -0.71 1.62 -1.13 0.00 0.00 0.00 175.76 175.55 1lgr n SER 342 N 4.62 0.25 -4.13 0.00 3.41 0.14 -4.31 113.62 113.60 1lgr n SER 342 Ca 0.12 0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 58.93 1lgr n SER 342 Cb 0.44 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 1lgr n SER 342 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lgr s ILE 343 N -3.10 3.11 -0.14 -1.33 -1.09 -0.66 -0.06 121.20 117.93 1lgr s ILE 343 Ca 0.07 -1.84 -0.14 0.00 -2.23 0.00 0.00 60.65 56.52 1lgr s ILE 343 Cb 0.11 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 1lgr s ILE 343 CO 0.36 -0.48 0.32 -0.60 -1.23 0.00 0.00 174.94 173.32 1lgr s ARG 344 N 1.16 4.20 -0.53 2.79 3.52 0.15 -1.20 118.95 129.05 1lgr s ARG 344 Ca 0.04 0.16 -0.18 0.00 -0.13 0.00 0.00 55.73 55.62 1lgr s ARG 344 Cb -0.21 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1lgr s ARG 344 CO -0.03 0.29 0.57 0.42 -0.81 0.00 0.00 175.30 175.75 1lgr s ILE 345 N 0.28 4.99 0.27 4.11 -1.09 -0.07 -0.07 121.20 129.62 1lgr s ILE 345 Ca 0.18 -0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 1lgr s ILE 345 Cb -0.14 -4.32 -0.11 0.00 -1.58 0.00 0.00 42.46 36.32 1lgr s ILE 345 CO 0.06 -0.85 1.53 -2.84 -1.23 0.00 0.00 174.94 171.60 1lgr s PRO 346 N 2.26 4.18 -1.00 2.79 0.02 -1.26 -4.27 135.00 137.72 1lgr s PRO 346 Ca 0.10 2.46 -0.23 0.00 0.02 0.00 0.00 61.00 63.35 1lgr s PRO 346 Cb -0.23 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.25 1lgr s PRO 346 CO 0.08 -0.55 1.58 0.08 -0.33 0.00 0.00 177.00 177.85 1lgr s VAL 347 N 0.04 3.82 0.16 3.83 1.01 -1.26 -4.77 120.40 123.22 1lgr s VAL 347 Ca 0.62 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1lgr s VAL 347 Cb -0.45 -4.82 -0.02 0.00 0.00 0.00 0.00 36.38 31.08 1lgr s VAL 347 CO 0.45 -1.71 1.51 1.62 0.00 0.00 0.00 175.10 176.97 1lgr h VAL 348 N 6.86 1.27 0.00 2.92 3.04 -1.89 -3.46 116.25 124.99 1lgr h VAL 348 Ca 0.19 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.36 1lgr h VAL 348 Cb 1.00 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1lgr h VAL 348 CO 1.38 0.51 0.00 0.00 -1.01 0.00 0.00 177.57 178.45 1lgr n ALA 349 N -2.53 0.00 -0.57 3.17 0.00 -1.26 -4.79 120.51 114.53 1lgr n ALA 349 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1lgr n ALA 349 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.13 1lgr n ALA 349 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1lgr n SER 350 N 0.72 -3.07 -0.08 0.00 2.88 -1.26 -5.00 113.62 107.80 1lgr n SER 350 Ca 0.00 -0.47 -0.13 0.00 -1.33 0.00 0.00 58.87 56.94 1lgr n SER 350 Cb 0.00 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 62.81 1lgr n SER 350 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1lgr h PRO 351 N 0.00 0.00 0.00 -1.46 0.13 -2.03 -3.43 132.00 125.20 1lgr h PRO 351 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1lgr h PRO 351 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1lgr h PRO 351 CO 0.13 0.57 0.00 0.36 -0.23 0.00 0.00 178.00 178.82 1lgr n LYS 352 N -4.56 0.00 0.00 0.86 -0.00 -1.26 -4.73 118.16 108.47 1lgr n LYS 352 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1lgr n LYS 352 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.47 1lgr n LYS 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lgr n ALA 353 N 0.00 2.48 -1.80 0.58 0.00 -1.26 -4.72 120.51 115.78 1lgr n ALA 353 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1lgr n ALA 353 Cb 0.45 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 1lgr n ALA 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1lgr s ARG 354 N -0.43 4.16 0.21 0.00 6.06 -1.26 -4.86 118.95 122.83 1lgr s ARG 354 Ca 0.00 2.51 -0.22 0.00 -2.50 0.00 0.00 55.73 55.52 1lgr s ARG 354 Cb 0.00 -3.07 0.05 0.00 0.06 0.00 0.00 34.95 31.98 1lgr s ARG 354 CO 0.00 -0.64 0.64 -0.98 -2.50 0.00 0.00 175.30 171.83 1lgr s ARG 355 N 0.32 1.49 0.12 5.12 1.70 -1.26 -4.57 118.95 121.87 1lgr s ARG 355 Ca 0.67 -0.70 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 1lgr s ARG 355 Cb -0.47 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1lgr s ARG 355 CO 0.39 -0.67 0.18 0.96 -1.08 0.00 0.00 175.30 175.09 1lgr s ILE 356 N -3.82 4.90 -0.22 4.99 -4.36 -0.39 -4.03 121.20 118.26 1lgr s ILE 356 Ca 0.05 -0.77 0.02 0.00 -0.26 0.00 0.00 60.65 59.69 1lgr s ILE 356 Cb -0.03 -3.46 0.04 0.00 1.25 0.00 0.00 42.46 40.27 1lgr s ILE 356 CO -0.04 -0.00 -0.15 -0.70 0.24 0.00 0.00 174.94 174.28 1lgr s GLU 357 N -2.86 2.54 -0.37 0.37 2.12 0.90 -0.25 118.70 121.14 1lgr s GLU 357 Ca 0.32 -1.08 -0.21 0.00 0.36 0.00 0.00 54.97 54.37 1lgr s GLU 357 Cb -0.11 -2.71 0.01 0.00 0.26 0.00 0.00 34.13 31.58 1lgr s GLU 357 CO 0.25 -0.40 0.67 0.08 -0.54 0.00 0.00 175.26 175.32 1lgr s VAL 358 N 1.21 4.84 -0.65 3.70 1.01 0.52 -0.67 120.40 130.36 1lgr s VAL 358 Ca -0.02 0.58 0.26 0.00 0.00 0.00 0.00 61.98 62.79 1lgr s VAL 358 Cb -0.17 -4.13 0.30 0.00 0.00 0.00 0.00 36.38 32.38 1lgr s VAL 358 CO -0.09 -0.39 1.75 0.03 0.00 0.00 0.00 175.10 176.40 1lgr h ARG 359 N 8.54 0.00 0.00 2.72 3.08 -0.77 -1.80 114.38 126.16 1lgr h ARG 359 Ca -0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 1lgr h ARG 359 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1lgr h ARG 359 CO 0.86 0.00 -0.20 0.27 -1.07 0.00 0.00 179.97 179.84 1lgr h PHE 360 N 0.00 0.00 -3.83 3.04 -5.15 -1.82 -3.42 116.94 105.75 1lgr h PHE 360 Ca 0.00 0.00 -0.46 0.00 -0.20 0.00 0.00 57.97 57.31 1lgr h PHE 360 Cb 0.76 0.00 0.17 0.00 0.22 0.00 0.00 35.95 37.10 1lgr h PHE 360 CO 0.00 0.20 0.18 -2.14 -2.00 0.00 0.00 178.31 174.54 1lgr s PRO 361 N -3.14 0.43 0.06 6.09 0.02 -1.26 -4.88 135.00 132.32 1lgr s PRO 361 Ca 0.06 0.73 -0.00 0.00 0.02 0.00 0.00 61.00 61.80 1lgr s PRO 361 Cb 0.06 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 1lgr s PRO 361 CO 0.69 -2.78 -0.04 0.16 -0.33 0.00 0.00 177.00 174.70 1lgr s ASP 362 N -3.21 0.65 0.44 2.53 1.47 -0.45 -0.82 116.67 117.27 1lgr s ASP 362 Ca 0.65 -0.99 0.15 0.00 1.18 0.00 0.00 52.55 53.54 1lgr s ASP 362 Cb -0.20 0.17 0.80 0.00 -0.34 0.00 0.00 42.92 43.35 1lgr s ASP 362 CO 0.59 -0.56 1.36 -0.65 0.68 0.00 0.00 175.17 176.59 1lgr h PRO 363 N 3.13 0.00 0.00 2.11 0.11 -1.76 -0.19 132.00 135.41 1lgr h PRO 363 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1lgr h PRO 363 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1lgr h PRO 363 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1lgr h ALA 364 N 1.00 1.00 -2.86 -0.75 0.00 -1.91 -3.46 119.26 112.28 1lgr h ALA 364 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1lgr h ALA 364 Cb 0.83 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.69 1lgr h ALA 364 CO 0.00 0.00 0.61 0.00 0.00 0.00 0.00 179.25 179.86 1lgr s ALA 365 N -3.29 3.35 -0.32 0.00 0.00 -0.08 -4.79 121.76 116.62 1lgr s ALA 365 Ca 0.06 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1lgr s ALA 365 Cb 0.10 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1lgr s ALA 365 CO 0.47 -0.71 1.66 1.21 0.00 0.00 0.00 175.76 178.40 1lgr s ASN 366 N -0.67 6.11 0.42 0.00 3.84 -1.26 -4.87 114.94 118.52 1lgr s ASN 366 Ca 0.53 1.26 0.10 0.00 0.21 0.00 0.00 52.86 54.97 1lgr s ASN 366 Cb -0.38 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 38.69 1lgr s ASN 366 CO 0.50 -1.54 2.00 1.55 -2.79 0.00 0.00 177.10 176.81 1lgr h PRO 367 N 11.85 0.25 0.48 0.43 0.13 -1.91 0.18 132.00 143.40 1lgr h PRO 367 Ca -0.32 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1lgr h PRO 367 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1lgr h PRO 367 CO 1.04 0.29 -0.23 1.88 -0.23 0.00 0.00 178.00 180.75 1lgr h TYR 368 N 0.24 -0.59 -0.58 1.56 0.05 -1.88 -1.04 116.97 114.73 1lgr h TYR 368 Ca 0.06 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.84 1lgr h TYR 368 Cb 0.20 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 1lgr h TYR 368 CO 0.00 -0.37 0.39 -0.07 -1.05 0.00 0.00 178.16 177.06 1lgr h LEU 369 N -0.79 0.63 0.01 3.88 3.38 -1.69 0.42 115.31 121.14 1lgr h LEU 369 Ca -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1lgr h LEU 369 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1lgr h LEU 369 CO 0.11 0.44 -0.00 0.00 0.09 0.00 0.00 178.44 179.08 1lgr h PHE 371 N -0.21 0.78 -0.11 0.00 0.04 -0.82 -0.82 116.94 115.81 1lgr h PHE 371 Ca -0.00 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.64 1lgr h PHE 371 Cb 0.20 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 1lgr h PHE 371 CO -0.01 0.85 -0.24 0.00 -0.60 0.00 0.00 178.31 178.32 1lgr h ALA 372 N 0.82 -0.23 -0.70 2.45 0.00 -0.89 -0.89 119.26 119.82 1lgr h ALA 372 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1lgr h ALA 372 Cb 0.60 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1lgr h ALA 372 CO 0.04 -0.70 0.46 0.00 0.00 0.00 0.00 179.25 179.05 1lgr h ALA 373 N 0.62 0.89 -0.68 0.00 0.00 -0.95 0.12 119.26 119.27 1lgr h ALA 373 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1lgr h ALA 373 Cb 0.45 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1lgr h ALA 373 CO -0.28 0.31 0.39 -0.07 0.00 0.00 0.00 179.25 179.60 1lgr h LEU 374 N 0.95 0.61 0.83 0.00 -0.00 -0.79 -1.44 115.31 115.47 1lgr h LEU 374 Ca 0.26 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 58.12 1lgr h LEU 374 Cb -0.11 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1lgr h LEU 374 CO -0.06 0.40 -0.40 0.25 -0.00 0.00 0.00 178.44 178.64 1lgr h LEU 375 N 0.74 -0.94 -1.01 1.67 6.46 -0.61 -1.06 115.31 120.55 1lgr h LEU 375 Ca 0.29 0.03 0.22 0.00 -0.12 0.00 0.00 57.88 58.30 1lgr h LEU 375 Cb 0.13 0.24 -0.12 0.00 -0.73 0.00 0.00 40.66 40.19 1lgr h LEU 375 CO -0.15 -0.62 0.61 0.24 -0.62 0.00 0.00 178.44 177.89 1lgr h MET 376 N -1.23 0.65 -0.33 1.25 2.86 -0.97 0.42 114.93 117.59 1lgr h MET 376 Ca -0.11 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1lgr h MET 376 Cb 0.85 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1lgr h MET 376 CO 0.19 0.43 0.07 0.00 1.06 0.00 0.00 176.91 178.66 1lgr h ALA 377 N 1.69 0.43 -0.90 6.32 0.00 -1.12 -2.07 119.26 123.61 1lgr h ALA 377 Ca 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1lgr h ALA 377 Cb 1.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1lgr h ALA 377 CO -0.42 0.10 0.53 0.78 0.00 0.00 0.00 179.25 180.24 1lgr h GLY 378 N 0.37 1.31 0.74 0.00 0.00 0.22 -2.11 103.07 103.59 1lgr h GLY 378 Ca 0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1lgr h GLY 378 CO 0.00 0.54 -0.10 1.41 0.00 0.00 0.00 176.54 178.39 1lgr h LEU 379 N 1.24 -0.23 -1.98 3.11 3.38 -0.95 -2.75 115.31 117.13 1lgr h LEU 379 Ca 0.32 -0.18 0.35 0.00 0.09 0.00 0.00 57.88 58.46 1lgr h LEU 379 Cb -0.04 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1lgr h LEU 379 CO -0.06 0.06 0.89 -0.78 0.09 0.00 0.00 178.44 178.65 1lgr h ASP 380 N -0.54 0.00 0.63 -0.43 3.58 -1.12 0.23 116.42 118.77 1lgr h ASP 380 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1lgr h ASP 380 Cb 0.40 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1lgr h ASP 380 CO 0.05 0.00 -0.30 1.23 -2.88 0.00 0.00 179.24 177.33 1lgr h GLY 381 N 0.00 -0.88 0.09 -0.78 0.00 -1.11 -2.71 103.07 97.68 1lgr h GLY 381 Ca 0.58 0.33 0.02 0.00 0.00 0.00 0.00 47.33 48.26 1lgr h GLY 381 CO -0.01 -0.32 -0.52 -2.22 0.00 0.00 0.00 176.54 173.47 1lgr h ILE 382 N -1.08 0.02 -0.69 2.60 2.04 -0.70 0.00 117.51 119.70 1lgr h ILE 382 Ca -0.09 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.97 1lgr h ILE 382 Cb 0.69 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1lgr h ILE 382 CO 0.14 0.00 0.67 0.11 0.00 0.00 0.00 178.15 179.07 1lgr h LYS 383 N -0.72 0.00 0.00 2.37 1.57 -0.75 -1.16 116.57 117.88 1lgr h LYS 383 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1lgr h LYS 383 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1lgr h LYS 383 CO -0.31 0.00 -0.35 0.09 -0.57 0.00 0.00 179.45 178.31 1lgr n ASN 384 N -3.74 1.75 -2.56 0.86 3.02 -0.90 -5.01 115.26 108.68 1lgr n ASN 384 Ca 0.14 -3.24 -0.07 0.00 -0.03 0.00 0.00 54.58 51.38 1lgr n ASN 384 Cb 0.91 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1lgr n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1lgr n LYS 385 N -1.00 -2.66 -1.74 3.52 0.00 -0.13 -4.77 118.16 111.38 1lgr n LYS 385 Ca 0.15 0.26 -0.18 0.00 0.00 0.00 0.00 58.31 58.54 1lgr n LYS 385 Cb 0.71 -4.81 -0.08 0.00 0.00 0.00 0.00 35.03 30.85 1lgr n LYS 385 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1lgr s ILE 386 N -2.31 3.18 -0.05 3.15 1.01 -0.54 -4.88 121.20 120.75 1lgr s ILE 386 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1lgr s ILE 386 Cb -0.02 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1lgr s ILE 386 CO 0.05 -0.34 1.54 -2.28 0.00 0.00 0.00 174.94 173.91 1lgr s HIS 387 N 14.18 2.31 0.09 3.97 2.46 -1.26 -3.96 115.29 133.08 1lgr s HIS 387 Ca 0.81 0.45 -0.31 0.00 0.47 0.00 0.00 55.06 56.48 1lgr s HIS 387 Cb -0.07 -3.81 -0.14 0.00 -0.13 0.00 0.00 32.58 28.43 1lgr s HIS 387 CO 0.11 -3.25 1.61 -1.00 -2.47 0.00 0.00 174.74 169.74 1lgr h PRO 388 N 8.92 -0.72 0.00 2.88 0.13 -1.90 -3.47 132.00 137.83 1lgr h PRO 388 Ca -0.37 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1lgr h PRO 388 Cb 1.17 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1lgr h PRO 388 CO 0.95 -0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1lgr n GLY 389 N -1.46 0.34 3.02 1.56 0.00 -1.26 -4.93 105.19 102.46 1lgr n GLY 389 Ca -0.10 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 1lgr n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lgr s GLU 390 N 0.00 0.53 -0.05 1.61 0.41 -1.26 -5.13 118.70 114.81 1lgr s GLU 390 Ca 0.00 -0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 1lgr s GLU 390 Cb 0.00 -0.43 -0.05 0.00 -1.78 0.00 0.00 34.13 31.87 1lgr s GLU 390 CO 0.00 0.10 1.51 -2.14 -0.49 0.00 0.00 175.26 174.24 1lgr s PRO 391 N -0.83 4.22 -0.04 0.39 0.02 -1.26 -4.76 135.00 132.75 1lgr s PRO 391 Ca -0.03 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.73 1lgr s PRO 391 Cb -0.06 -3.80 -0.05 0.00 0.02 0.00 0.00 34.50 30.61 1lgr s PRO 391 CO 0.00 -0.73 1.57 -1.64 -0.33 0.00 0.00 177.00 175.86 1lgr s MET 392 N 3.36 4.21 -0.10 5.54 -1.94 -1.18 -5.00 119.30 124.19 1lgr s MET 392 Ca 0.67 2.11 0.14 0.00 -1.71 0.00 0.00 55.69 56.90 1lgr s MET 392 Cb -0.31 -3.83 0.21 0.00 2.01 0.00 0.00 34.83 32.92 1lgr s MET 392 CO 0.26 -0.76 1.10 -0.25 -0.01 0.00 0.00 175.02 175.36 1lgr n ASP 393 N 6.52 1.82 0.00 3.03 8.00 -1.26 -3.67 116.55 130.98 1lgr n ASP 393 Ca 0.16 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1lgr n ASP 393 Cb 0.43 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1lgr n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lgr n ILE 407 N -1.08 0.00 -2.29 0.53 3.06 -1.26 -4.15 119.36 114.17 1lgr n ILE 407 Ca 0.12 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 60.03 1lgr n ILE 407 Cb 0.63 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.81 1lgr n ILE 407 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1lgr s PRO 408 N -0.90 3.47 0.26 9.51 0.04 -1.26 -4.84 135.00 141.28 1lgr s PRO 408 Ca 0.00 1.44 0.09 0.00 0.04 0.00 0.00 61.00 62.57 1lgr s PRO 408 Cb 0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1lgr s PRO 408 CO 0.00 -0.72 -0.13 -0.65 0.04 0.00 0.00 177.00 175.54 1lgr s GLN 409 N -3.44 1.53 0.92 4.56 -0.21 -1.26 0.11 119.66 121.86 1lgr s GLN 409 Ca 0.69 -1.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.23 1lgr s GLN 409 Cb -0.20 -1.34 0.12 0.00 1.00 0.00 0.00 33.01 32.59 1lgr s GLN 409 CO 0.27 0.17 0.97 1.33 -2.12 0.00 0.00 175.29 175.91 1lgr n VAL 410 N -0.54 0.17 -1.62 1.09 0.24 -0.54 -4.81 118.33 112.32 1lgr n VAL 410 Ca -0.06 -0.06 -0.48 0.00 -2.04 0.00 0.00 64.34 61.69 1lgr n VAL 410 Cb 0.61 -0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 32.02 1lgr n VAL 410 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lgr n ALA 411 N -4.02 -0.02 1.86 2.33 0.00 -1.26 -4.87 120.51 114.54 1lgr n ALA 411 Ca 0.11 0.47 0.16 0.00 0.00 0.00 0.00 53.44 54.17 1lgr n ALA 411 Cb 0.52 -2.16 0.88 0.00 0.00 0.00 0.00 19.45 18.69 1lgr n ALA 411 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lgr n GLY 412 N 2.48 -0.96 3.53 0.00 0.00 -1.26 -4.91 105.19 104.07 1lgr n GLY 412 Ca 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1lgr n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lgr s SER 413 N -2.09 -0.36 0.24 1.61 1.04 -1.26 -4.97 113.70 107.91 1lgr s SER 413 Ca 0.44 -0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.75 1lgr s SER 413 Cb 0.22 0.42 0.25 0.00 0.10 0.00 0.00 66.02 67.00 1lgr s SER 413 CO 0.38 -0.69 1.90 0.25 0.98 0.00 0.00 173.24 176.06 1lgr h LEU 414 N 2.00 1.14 -0.72 2.42 5.85 -1.88 -0.67 115.31 123.45 1lgr h LEU 414 Ca -0.23 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1lgr h LEU 414 Cb 1.25 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1lgr h LEU 414 CO 0.31 0.86 0.46 -0.08 -0.34 0.00 0.00 178.44 179.65 1lgr h GLU 415 N 1.32 0.89 0.63 1.25 4.81 -1.96 0.25 114.58 121.77 1lgr h GLU 415 Ca 0.35 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1lgr h GLU 415 Cb -0.08 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.10 1lgr h GLU 415 CO -0.07 0.59 -0.31 1.49 -0.73 0.00 0.00 179.01 179.99 1lgr h GLU 416 N 0.92 -0.82 -0.59 1.92 4.81 -1.88 -0.59 114.58 118.35 1lgr h GLU 416 Ca 0.28 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.67 1lgr h GLU 416 Cb -0.03 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 1lgr h GLU 416 CO -0.09 -0.55 0.13 0.00 -0.73 0.00 0.00 179.01 177.78 1lgr h ALA 417 N -0.47 0.70 -0.34 2.92 0.00 -0.54 -0.21 119.26 121.32 1lgr h ALA 417 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1lgr h ALA 417 Cb 0.65 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1lgr h ALA 417 CO 0.14 -0.30 0.17 -0.07 0.00 0.00 0.00 179.25 179.20 1lgr h LEU 418 N 0.27 0.44 -0.51 0.00 3.38 -0.38 0.15 115.31 118.66 1lgr h LEU 418 Ca 0.31 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1lgr h LEU 418 Cb 0.45 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1lgr h LEU 418 CO -0.39 0.42 0.20 0.78 0.09 0.00 0.00 178.44 179.55 1lgr h ASN 419 N 0.42 0.24 -0.32 -0.43 2.35 -0.36 -0.65 115.58 116.83 1lgr h ASN 419 Ca 0.12 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1lgr h ASN 419 Cb 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1lgr h ASN 419 CO -0.02 0.17 0.18 0.00 -1.65 0.00 0.00 177.43 176.11 1lgr h ALA 420 N 1.32 0.40 -0.42 -0.83 0.00 -0.70 -0.39 119.26 118.64 1lgr h ALA 420 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1lgr h ALA 420 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1lgr h ALA 420 CO -0.22 -0.18 0.27 1.25 0.00 0.00 0.00 179.25 180.36 1lgr h LEU 421 N 0.37 0.46 -1.11 0.00 5.85 -0.54 0.15 115.31 120.49 1lgr h LEU 421 Ca 0.13 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1lgr h LEU 421 Cb 0.01 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 1lgr h LEU 421 CO -0.06 0.33 0.61 -0.78 -0.34 0.00 0.00 178.44 178.20 1lgr h ASP 422 N 0.55 0.84 0.39 1.25 3.58 -0.58 -2.39 116.42 120.05 1lgr h ASP 422 Ca 0.16 0.04 -0.32 0.00 0.42 0.00 0.00 57.03 57.33 1lgr h ASP 422 Cb -0.05 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1lgr h ASP 422 CO -0.04 0.45 -1.71 -0.07 -2.88 0.00 0.00 179.24 174.99 1lgr h LEU 423 N 0.90 0.26 -3.47 2.28 3.38 -0.71 -3.36 115.31 114.58 1lgr h LEU 423 Ca 0.47 -0.47 -0.39 0.00 0.09 0.00 0.00 57.88 57.59 1lgr h LEU 423 Cb 0.54 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 40.98 1lgr h LEU 423 CO -0.23 1.41 0.49 -0.67 0.09 0.00 0.00 178.44 179.52 1lgr n ASP 424 N -3.33 3.82 0.11 -0.43 2.03 0.48 -4.59 116.55 114.65 1lgr n ASP 424 Ca -0.20 -3.18 0.15 0.00 0.52 0.00 0.00 54.79 52.07 1lgr n ASP 424 Cb 1.04 -0.77 0.67 0.00 -0.72 0.00 0.00 41.12 41.35 1lgr n ASP 424 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1lgr h ARG 425 N 0.80 0.00 -0.19 -0.67 2.43 -1.59 -3.33 114.38 111.83 1lgr h ARG 425 Ca 0.46 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.67 1lgr h ARG 425 Cb 2.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.75 1lgr h ARG 425 CO 0.83 0.00 -0.07 1.49 -1.51 0.00 0.00 179.97 180.71 1lgr h GLU 426 N 0.00 -0.04 0.00 0.20 4.57 -1.89 -2.69 114.58 114.72 1lgr h GLU 426 Ca 0.15 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1lgr h GLU 426 Cb 0.59 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1lgr h GLU 426 CO -0.00 -0.03 -0.09 0.27 -1.18 0.00 0.00 179.01 177.98 1lgr h PHE 427 N -0.04 0.00 -0.12 0.92 -0.00 -1.96 -0.79 116.94 114.95 1lgr h PHE 427 Ca 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.89 1lgr h PHE 427 Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.13 1lgr h PHE 427 CO -0.23 0.09 -0.68 -0.07 -0.00 0.00 0.00 178.31 177.43 1lgr h LEU 428 N 0.00 0.59 -0.34 2.10 -0.00 -1.71 -3.31 115.31 112.64 1lgr h LEU 428 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1lgr h LEU 428 Cb 0.20 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1lgr h LEU 428 CO 0.01 1.10 0.00 0.29 -0.00 0.00 0.00 178.44 179.84 1lgr n LYS 429 N -3.89 0.13 -1.68 1.13 5.02 -0.31 -4.35 118.16 114.21 1lgr n LYS 429 Ca -0.04 0.31 -0.54 0.00 -2.02 0.00 0.00 58.31 56.01 1lgr n LYS 429 Cb 0.68 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1lgr n LYS 429 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lgr n ALA 430 N -1.67 -0.15 -1.90 7.82 0.00 -1.15 -1.51 120.51 121.96 1lgr n ALA 430 Ca 0.03 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.69 1lgr n ALA 430 Cb 0.24 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 1lgr n ALA 430 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lgr n GLY 431 N 3.78 0.88 2.76 0.00 0.00 -1.26 -3.07 105.19 108.29 1lgr n GLY 431 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1lgr n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgr n GLY 432 N -0.79 1.66 3.64 -0.02 0.00 -0.57 -4.95 105.19 104.16 1lgr n GLY 432 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1lgr n GLY 432 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lgr s VAL 433 N -3.48 3.15 -0.04 1.61 1.01 -1.17 -4.43 120.40 117.03 1lgr s VAL 433 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1lgr s VAL 433 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1lgr s VAL 433 CO 0.00 -0.05 0.07 0.49 0.00 0.00 0.00 175.10 175.61 1lgr n PHE 434 N 8.78 -2.93 -2.50 5.22 3.72 -1.26 -3.87 117.46 124.62 1lgr n PHE 434 Ca 0.22 1.73 -0.25 0.00 -0.05 0.00 0.00 57.45 59.10 1lgr n PHE 434 Cb 0.43 -3.10 0.03 0.00 -0.94 0.00 0.00 39.48 35.90 1lgr n PHE 434 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1lgr s THR 435 N -0.39 3.51 0.24 4.37 -4.23 -1.26 -4.17 115.64 113.70 1lgr s THR 435 Ca -0.08 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1lgr s THR 435 Cb 0.01 -3.38 0.20 0.00 1.34 0.00 0.00 72.50 70.67 1lgr s THR 435 CO 0.22 -0.36 1.84 0.44 -0.54 0.00 0.00 174.62 176.22 1lgr h ASP 436 N -0.10 0.79 -0.68 3.99 3.32 -1.96 -1.02 116.42 120.76 1lgr h ASP 436 Ca -0.45 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1lgr h ASP 436 Cb 1.26 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1lgr h ASP 436 CO 0.59 0.50 0.44 -0.33 -1.72 0.00 0.00 179.24 178.72 1lgr h GLU 437 N 0.92 0.86 0.22 3.56 3.07 -1.96 0.17 114.58 121.41 1lgr h GLU 437 Ca 0.36 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1lgr h GLU 437 Cb 0.18 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1lgr h GLU 437 CO -0.18 0.57 -0.25 0.00 -1.40 0.00 0.00 179.01 177.75 1lgr h ALA 438 N 1.26 -0.50 -0.13 3.43 0.00 -1.75 0.12 119.26 121.70 1lgr h ALA 438 Ca 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lgr h ALA 438 Cb -0.06 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lgr h ALA 438 CO -0.07 -0.81 0.07 0.82 0.00 0.00 0.00 179.25 179.26 1lgr h ILE 439 N -0.52 1.08 -0.83 0.00 2.04 -0.79 -2.04 117.51 116.46 1lgr h ILE 439 Ca 0.00 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1lgr h ILE 439 Cb 0.49 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1lgr h ILE 439 CO -0.08 0.07 0.52 0.44 0.00 0.00 0.00 178.15 179.10 1lgr h ASP 440 N 0.12 0.82 -0.31 1.72 3.32 -0.49 -1.40 116.42 120.20 1lgr h ASP 440 Ca 0.05 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1lgr h ASP 440 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1lgr h ASP 440 CO -0.01 0.54 -0.20 0.00 -1.72 0.00 0.00 179.24 177.86 1lgr h ALA 441 N 1.38 0.90 0.71 3.45 0.00 -0.62 -1.32 119.26 123.76 1lgr h ALA 441 Ca 0.35 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1lgr h ALA 441 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lgr h ALA 441 CO -0.15 0.63 -0.46 -0.92 0.00 0.00 0.00 179.25 178.34 1lgr h TYR 442 N 0.69 -1.22 -0.84 0.00 3.20 -1.11 -1.07 116.97 116.62 1lgr h TYR 442 Ca 0.10 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.07 1lgr h TYR 442 Cb 0.70 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 1lgr h TYR 442 CO 0.04 -0.68 0.47 0.82 -1.64 0.00 0.00 178.16 177.17 1lgr h ILE 443 N -1.11 0.87 -0.46 1.81 2.04 -1.12 -1.05 117.51 118.50 1lgr h ILE 443 Ca -0.09 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.59 1lgr h ILE 443 Cb 0.90 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1lgr h ILE 443 CO 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 178.15 178.37 1lgr h ALA 444 N 1.48 0.43 0.95 1.87 0.00 -1.04 0.11 119.26 123.06 1lgr h ALA 444 Ca 0.42 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 1lgr h ALA 444 Cb 0.43 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1lgr h ALA 444 CO -0.27 -0.39 -0.46 -0.07 0.00 0.00 0.00 179.25 178.06 1lgr h LEU 445 N 0.11 -1.09 -2.07 0.00 3.38 0.02 -2.89 115.31 112.75 1lgr h LEU 445 Ca 0.23 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1lgr h LEU 445 Cb 0.34 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1lgr h LEU 445 CO -0.39 -0.78 0.34 0.03 0.09 0.00 0.00 178.44 177.73 1lgr h ARG 446 N -1.28 0.00 -0.19 1.13 -0.00 -0.89 -2.14 114.38 111.01 1lgr h ARG 446 Ca -0.13 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.24 1lgr h ARG 446 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.95 1lgr h ARG 446 CO 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 179.97 179.87 1lgr h ARG 447 N 0.00 0.54 -0.96 0.04 3.08 -0.61 -1.43 114.38 115.04 1lgr h ARG 447 Ca 0.16 -0.33 0.15 0.00 0.07 0.00 0.00 59.98 60.03 1lgr h ARG 447 Cb 0.83 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.83 1lgr h ARG 447 CO -0.00 0.94 0.57 1.49 -1.07 0.00 0.00 179.97 181.89 1lgr h GLU 448 N 0.20 0.79 0.13 0.04 4.81 -1.19 0.12 114.58 119.48 1lgr h GLU 448 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1lgr h GLU 448 Cb 0.90 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1lgr h GLU 448 CO 0.07 0.52 -0.06 0.93 -0.73 0.00 0.00 179.01 179.74 1lgr h GLU 449 N 0.81 -0.17 -0.75 1.92 5.08 -1.48 -2.49 114.58 117.49 1lgr h GLU 449 Ca 0.51 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.98 1lgr h GLU 449 Cb 0.67 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1lgr h GLU 449 CO -0.33 0.17 0.40 0.22 -1.00 0.00 0.00 179.01 178.47 1lgr h ASP 450 N -0.54 0.55 -0.32 1.42 3.58 -0.18 -2.60 116.42 118.34 1lgr h ASP 450 Ca -0.02 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1lgr h ASP 450 Cb 0.42 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 1lgr h ASP 450 CO 0.03 0.32 0.11 0.44 -2.88 0.00 0.00 179.24 177.26 1lgr h ASP 451 N 0.68 0.12 -0.57 2.28 3.32 -0.71 0.48 116.42 122.03 1lgr h ASP 451 Ca 0.36 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.49 1lgr h ASP 451 Cb 0.35 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1lgr h ASP 451 CO -0.25 0.10 0.31 -0.09 -1.72 0.00 0.00 179.24 177.59 1lgr h ARG 452 N 0.25 0.58 -0.40 3.56 2.43 -1.10 0.55 114.38 120.25 1lgr h ARG 452 Ca 0.14 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1lgr h ARG 452 Cb 0.12 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1lgr h ARG 452 CO -0.15 0.38 -0.06 0.28 -1.51 0.00 0.00 179.97 178.91 1lgr h VAL 453 N 0.60 1.24 -0.23 0.20 2.07 -1.15 -2.63 116.25 116.35 1lgr h VAL 453 Ca 0.24 -1.02 -0.16 0.00 0.82 0.00 0.00 66.70 66.58 1lgr h VAL 453 Cb 0.11 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1lgr h VAL 453 CO -0.15 0.35 -0.53 -0.09 0.02 0.00 0.00 177.57 177.17 1lgr h ARG 454 N 0.63 0.66 0.00 1.57 2.43 0.47 -3.31 114.38 116.82 1lgr h ARG 454 Ca 0.12 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1lgr h ARG 454 Cb 0.48 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1lgr h ARG 454 CO 0.03 1.02 -0.67 -1.33 -1.51 0.00 0.00 179.97 177.50 1lgr n MET 455 N -3.98 0.20 -3.11 0.20 2.81 0.05 -4.83 117.12 108.46 1lgr n MET 455 Ca -0.03 0.04 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 1lgr n MET 455 Cb 0.60 -1.60 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 1lgr n MET 455 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1lgr s THR 456 N -3.12 4.95 0.23 2.03 2.01 -1.00 -5.03 115.64 115.71 1lgr s THR 456 Ca 0.07 0.95 -0.32 0.00 0.31 0.00 0.00 61.69 62.71 1lgr s THR 456 Cb 0.15 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 1lgr s THR 456 CO 0.73 -0.09 1.49 -0.81 -0.69 0.00 0.00 174.62 175.24 1lgr n PRO 457 N 5.84 2.19 -3.09 4.92 -0.04 -1.26 -4.96 135.00 138.61 1lgr n PRO 457 Ca -0.01 0.78 -0.39 0.00 -0.04 0.00 0.00 63.50 63.84 1lgr n PRO 457 Cb 0.49 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1lgr n PRO 457 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1lgr s HIS 458 N 0.20 3.83 0.20 0.54 2.46 -1.26 -4.94 115.29 116.32 1lgr s HIS 458 Ca 0.70 1.46 -0.17 0.00 0.47 0.00 0.00 55.06 57.52 1lgr s HIS 458 Cb -0.63 -2.69 0.19 0.00 -0.13 0.00 0.00 32.58 29.33 1lgr s HIS 458 CO 0.46 0.48 1.60 -1.35 -2.47 0.00 0.00 174.74 173.46 1lgr h PRO 459 N 4.75 -0.09 0.00 2.88 0.10 -1.93 -0.78 132.00 136.94 1lgr h PRO 459 Ca -0.47 0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.64 1lgr h PRO 459 Cb 1.21 0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.33 1lgr h PRO 459 CO 0.66 -0.06 0.00 1.33 0.10 0.00 0.00 178.00 180.04 1lgr n VAL 460 N -5.45 1.03 -0.08 3.15 0.24 -1.26 -0.92 118.33 115.05 1lgr n VAL 460 Ca 0.06 0.66 -0.05 0.00 -2.04 0.00 0.00 64.34 62.97 1lgr n VAL 460 Cb 0.35 -1.65 0.16 0.00 -1.47 0.00 0.00 33.84 31.23 1lgr n VAL 460 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1lgr h GLU 461 N 0.00 0.72 -0.38 7.34 5.08 -1.54 0.74 114.58 126.54 1lgr h GLU 461 Ca 0.00 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1lgr h GLU 461 Cb 0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1lgr h GLU 461 CO 0.00 0.80 -0.08 0.74 -1.00 0.00 0.00 179.01 179.47 1lgr h PHE 462 N 0.66 0.69 -0.81 4.33 -1.00 -1.09 0.44 116.94 120.16 1lgr h PHE 462 Ca 0.12 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1lgr h PHE 462 Cb 0.55 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.88 1lgr h PHE 462 CO 0.03 0.71 0.45 1.49 -1.61 0.00 0.00 178.31 179.37 1lgr h GLU 463 N 0.60 1.14 0.18 1.51 4.81 -1.31 -1.63 114.58 119.87 1lgr h GLU 463 Ca 0.11 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 58.97 1lgr h GLU 463 Cb 0.49 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.67 1lgr h GLU 463 CO 0.03 0.83 -1.05 -0.07 -0.73 0.00 0.00 179.01 178.02 1lgr h LEU 464 N 1.13 0.62 -1.17 1.64 4.07 -0.48 -3.42 115.31 117.70 1lgr h LEU 464 Ca 0.29 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1lgr h LEU 464 Cb 0.03 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1lgr h LEU 464 CO -0.05 1.51 0.00 -1.22 -1.08 0.00 0.00 178.44 177.60 1lgr n TYR 465 N -3.98 0.00 -0.21 1.13 4.01 0.15 -4.76 117.16 113.51 1lgr n TYR 465 Ca -0.15 -0.05 -0.07 0.00 -0.16 0.00 0.00 57.90 57.46 1lgr n TYR 465 Cb 0.92 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.97 1lgr n TYR 465 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1lgr h TYR 466 N 0.00 0.88 -0.23 -0.72 3.20 -1.40 -2.64 116.97 116.06 1lgr h TYR 466 Ca 0.00 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1lgr h TYR 466 Cb 0.09 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 1lgr h TYR 466 CO 0.00 0.70 0.11 0.43 -1.64 0.00 0.00 178.16 177.76 1lgr n SER 467 N -4.49 2.86 0.00 -2.11 7.64 -1.26 -5.15 113.62 111.10 1lgr n SER 467 Ca 0.03 -2.37 0.09 0.00 1.01 0.00 0.00 58.87 57.63 1lgr n SER 467 Cb 0.15 -0.58 0.53 0.00 -1.01 0.00 0.00 64.21 63.30 1lgr n SER 467 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58