#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgb s GLU 2 N 0.00 4.17 -0.21 1.09 0.41 -1.26 -5.06 118.70 117.83 1lgb s GLU 2 Ca 0.00 0.57 -0.06 0.00 -0.41 0.00 0.00 54.97 55.07 1lgb s GLU 2 Cb 0.00 -3.30 0.10 0.00 -1.78 0.00 0.00 34.13 29.15 1lgb s GLU 2 CO 0.00 0.49 0.42 0.99 -0.49 0.00 0.00 175.26 176.67 1lgb s THR 3 N -0.53 -0.65 -0.02 3.63 2.01 -1.26 -5.12 115.64 113.70 1lgb s THR 3 Ca 0.27 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1lgb s THR 3 Cb -0.17 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1lgb s THR 3 CO 0.15 0.03 -0.25 0.42 -0.69 0.00 0.00 174.62 174.28 1lgb s THR 4 N 2.61 2.01 -0.17 -0.82 -4.23 -1.26 -5.13 115.64 108.64 1lgb s THR 4 Ca 0.02 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 1lgb s THR 4 Cb -0.13 -1.67 0.05 0.00 1.34 0.00 0.00 72.50 72.09 1lgb s THR 4 CO -0.14 0.57 0.44 -0.44 -0.54 0.00 0.00 174.62 174.51 1lgb s SER 5 N -0.55 -0.51 0.00 3.99 0.01 -1.26 -5.11 113.70 110.28 1lgb s SER 5 Ca 0.08 0.92 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 1lgb s SER 5 Cb -0.10 0.86 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 1lgb s SER 5 CO -0.00 -0.18 0.04 0.72 0.41 0.00 0.00 173.24 174.22 1lgb s PHE 6 N 0.88 0.11 -0.22 2.43 -0.71 -1.26 -5.14 117.98 114.08 1lgb s PHE 6 Ca -0.05 -0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 55.56 1lgb s PHE 6 Cb -0.06 -0.10 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 1lgb s PHE 6 CO -0.07 -0.17 0.09 -1.54 -1.34 0.00 0.00 175.22 172.19 1lgb s SER 7 N -1.03 2.88 -0.18 1.98 1.04 -1.26 -5.09 113.70 112.04 1lgb s SER 7 Ca -0.11 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 1lgb s SER 7 Cb -0.07 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1lgb s SER 7 CO -0.00 -0.37 0.07 -0.63 0.98 0.00 0.00 173.24 173.30 1lgb s ILE 8 N 2.04 4.90 -0.11 -1.02 1.01 -1.26 -5.00 121.20 121.76 1lgb s ILE 8 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1lgb s ILE 8 Cb -0.16 -3.21 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 1lgb s ILE 8 CO -0.17 0.46 -0.11 0.41 0.00 0.00 0.00 174.94 175.53 1lgb n THR 9 N 3.50 0.65 -3.68 2.92 -1.04 -1.26 -4.92 114.28 110.45 1lgb n THR 9 Ca -0.16 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.05 61.31 1lgb n THR 9 Cb 0.52 -0.98 -0.14 0.00 -1.82 0.00 0.00 70.33 67.91 1lgb n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1lgb s LYS 10 N -2.23 0.88 -0.83 -2.82 1.02 -1.26 -4.97 119.74 109.53 1lgb s LYS 10 Ca -0.15 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.16 1lgb s LYS 10 Cb 0.04 -1.98 -0.17 0.00 -0.52 0.00 0.00 37.83 35.20 1lgb s LYS 10 CO 0.26 -1.09 2.35 1.19 -0.92 0.00 0.00 175.35 177.14 1lgb n PHE 11 N 4.26 1.03 -0.76 3.18 3.01 -1.19 -4.91 117.46 122.08 1lgb n PHE 11 Ca 0.04 -0.03 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 1lgb n PHE 11 Cb 0.38 -2.41 0.16 0.00 -0.01 0.00 0.00 39.48 37.60 1lgb n PHE 11 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1lgb s GLY 12 N 9.62 1.73 0.66 1.37 0.00 -1.26 -3.44 107.32 116.00 1lgb s GLY 12 Ca 0.95 0.61 0.35 0.00 0.00 0.00 0.00 44.72 46.62 1lgb s GLY 12 CO 0.13 1.02 2.09 -0.56 0.00 0.00 0.00 173.10 175.78 1lgb h PRO 13 N -1.75 0.00 0.03 2.90 0.13 -1.91 -2.75 132.00 128.65 1lgb h PRO 13 Ca -0.43 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1lgb h PRO 13 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1lgb h PRO 13 CO 0.42 0.00 -1.83 -3.47 -0.23 0.00 0.00 178.00 172.90 1lgb n ASP 14 N -3.09 1.96 -2.49 1.44 2.03 -1.26 -4.82 116.55 110.33 1lgb n ASP 14 Ca -0.02 0.30 -0.16 0.00 0.52 0.00 0.00 54.79 55.43 1lgb n ASP 14 Cb 0.28 -0.86 0.01 0.00 -0.72 0.00 0.00 41.12 39.84 1lgb n ASP 14 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1lgb n GLN 15 N -4.05 -0.83 -0.03 -0.67 -0.06 -1.04 -4.95 117.38 105.75 1lgb n GLN 15 Ca -0.38 0.55 -0.17 0.00 -2.00 0.00 0.00 57.00 54.99 1lgb n GLN 15 Cb 0.84 -0.95 -0.06 0.00 -4.06 0.00 0.00 30.24 26.01 1lgb n GLN 15 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1lgb h PRO 16 N 0.77 0.81 -1.71 3.69 0.11 -1.97 -3.34 132.00 130.36 1lgb h PRO 16 Ca -0.28 -0.64 0.00 0.00 0.11 0.00 0.00 66.00 65.20 1lgb h PRO 16 Cb 0.65 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1lgb h PRO 16 CO 0.13 1.25 0.00 0.27 -0.21 0.00 0.00 178.00 179.43 1lgb n ASN 17 N -3.95 2.84 -3.50 -2.05 2.04 -1.26 -4.71 115.26 104.67 1lgb n ASN 17 Ca -0.07 -1.66 -0.11 0.00 -0.44 0.00 0.00 54.58 52.30 1lgb n ASN 17 Cb 0.73 -0.56 -0.03 0.00 -2.53 0.00 0.00 39.78 37.38 1lgb n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1lgb s LEU 18 N 0.00 0.51 -0.04 -4.53 1.02 -1.26 -3.61 118.68 110.78 1lgb s LEU 18 Ca 0.00 -1.18 0.02 0.00 0.02 0.00 0.00 54.13 52.99 1lgb s LEU 18 Cb 0.00 1.88 0.01 0.00 0.02 0.00 0.00 46.19 48.10 1lgb s LEU 18 CO 0.00 -1.31 -0.09 -0.63 0.02 0.00 0.00 176.35 174.34 1lgb s ILE 19 N -3.33 0.85 -0.14 -0.59 1.01 -0.59 -4.52 121.20 113.89 1lgb s ILE 19 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 1lgb s ILE 19 Cb -0.02 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1lgb s ILE 19 CO 0.14 0.28 -0.11 -0.36 0.00 0.00 0.00 174.94 174.89 1lgb s PHE 20 N 0.54 2.86 0.02 3.97 0.08 -1.26 -1.06 117.98 123.13 1lgb s PHE 20 Ca -0.09 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.34 1lgb s PHE 20 Cb -0.13 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1lgb s PHE 20 CO 0.02 -0.22 -0.05 1.14 -0.10 0.00 0.00 175.22 176.01 1lgb s GLN 21 N 0.46 0.35 4.04 0.44 -2.07 0.53 -5.00 119.66 118.42 1lgb s GLN 21 Ca -0.08 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1lgb s GLN 21 Cb -0.15 -0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.58 1lgb s GLN 21 CO 0.04 0.04 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 1lgb n GLY 22 N 2.19 1.50 0.00 2.60 0.00 -1.26 -2.33 105.19 107.88 1lgb n GLY 22 Ca -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1lgb n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lgb n ASP 23 N 5.70 0.00 -0.01 1.61 8.00 -0.28 -5.02 116.55 126.55 1lgb n ASP 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1lgb n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1lgb n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lgb n GLY 24 N 2.89 0.00 3.83 0.44 0.00 -1.11 -4.93 105.19 106.31 1lgb n GLY 24 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1lgb n GLY 24 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lgb s TYR 25 N -0.01 -0.01 0.64 1.61 1.13 0.13 -4.59 117.35 116.24 1lgb s TYR 25 Ca 0.00 -0.53 -0.05 0.00 -1.41 0.00 0.00 57.07 55.07 1lgb s TYR 25 Cb 0.00 0.76 0.04 0.00 -1.10 0.00 0.00 41.96 41.66 1lgb s TYR 25 CO 0.00 -1.32 0.94 0.95 -2.51 0.00 0.00 175.55 173.61 1lgb s THR 26 N -2.90 2.88 0.00 -3.49 -4.23 -1.26 0.11 115.64 106.75 1lgb s THR 26 Ca 0.14 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1lgb s THR 26 Cb -0.05 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1lgb s THR 26 CO 0.08 -0.18 0.00 1.07 -0.54 0.00 0.00 174.62 175.05 1lgb n THR 27 N -2.71 0.00 -1.45 3.99 5.66 0.32 -4.78 114.28 115.31 1lgb n THR 27 Ca 0.07 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 1lgb n THR 27 Cb 0.59 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 1lgb n THR 27 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1lgb n LYS 28 N 0.00 0.19 -1.86 1.09 0.00 -1.26 -3.01 118.16 113.30 1lgb n LYS 28 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 58.31 57.26 1lgb n LYS 28 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 35.03 32.07 1lgb n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1lgb n GLU 29 N 7.28 -1.70 -3.88 1.64 -0.58 -1.26 -4.91 120.64 117.22 1lgb n GLU 29 Ca 0.38 0.70 -0.11 0.00 -0.42 0.00 0.00 57.16 57.72 1lgb n GLU 29 Cb 0.42 -5.11 -0.11 0.00 -0.57 0.00 0.00 31.44 26.08 1lgb n GLU 29 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1lgb s ARG 30 N -3.98 0.40 -0.04 3.49 0.52 -1.17 -3.17 118.95 115.00 1lgb s ARG 30 Ca 0.00 -0.34 -0.23 0.00 -0.52 0.00 0.00 55.73 54.64 1lgb s ARG 30 Cb 0.00 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1lgb s ARG 30 CO 0.00 -0.09 0.67 -1.17 0.02 0.00 0.00 175.30 174.74 1lgb s LEU 31 N -1.16 4.35 -0.08 2.53 0.20 -1.26 0.12 118.68 123.38 1lgb s LEU 31 Ca -0.13 1.20 0.03 0.00 0.69 0.00 0.00 54.13 55.93 1lgb s LEU 31 Cb -0.07 -3.05 -0.02 0.00 -0.43 0.00 0.00 46.19 42.63 1lgb s LEU 31 CO 0.01 -0.05 -0.18 0.42 -0.29 0.00 0.00 176.35 176.26 1lgb s THR 32 N 0.47 2.68 -0.27 3.68 -4.23 0.30 -4.94 115.64 113.32 1lgb s THR 32 Ca 0.36 -0.83 -0.14 0.00 -1.18 0.00 0.00 61.69 59.89 1lgb s THR 32 Cb -0.18 -2.05 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 1lgb s THR 32 CO 0.18 0.56 -0.36 0.18 -0.54 0.00 0.00 174.62 174.65 1lgb n LEU 33 N 2.92 1.95 -3.92 4.79 4.77 -1.26 -0.70 117.00 125.55 1lgb n LEU 33 Ca -0.18 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1lgb n LEU 33 Cb 0.52 -0.81 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 1lgb n LEU 33 CO 0.27 0.54 -0.42 0.42 -1.33 0.00 0.00 177.39 176.87 1lgb s THR 34 N -2.53 0.61 -0.55 -5.08 -4.23 -1.26 -2.74 115.64 99.87 1lgb s THR 34 Ca -0.38 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 1lgb s THR 34 Cb 0.14 -0.60 0.05 0.00 1.34 0.00 0.00 72.50 73.43 1lgb s THR 34 CO 0.49 0.23 0.83 -0.75 -0.54 0.00 0.00 174.62 174.88 1lgb s LYS 35 N 0.70 3.22 0.00 3.99 2.20 -1.26 -4.85 119.74 123.75 1lgb s LYS 35 Ca -0.10 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1lgb s LYS 35 Cb -0.13 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1lgb s LYS 35 CO 0.01 -1.45 0.00 0.00 -0.36 0.00 0.00 175.35 173.55 1lgb n ALA 36 N 7.03 0.00 -4.04 3.13 0.00 -1.26 -4.77 120.51 120.59 1lgb n ALA 36 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1lgb n ALA 36 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1lgb n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1lgb n VAL 37 N 0.00 0.00 -3.55 0.00 0.24 -1.26 -5.04 118.33 108.72 1lgb n VAL 37 Ca 0.00 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.62 1lgb n VAL 37 Cb 0.00 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.30 1lgb n VAL 37 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1lgb s ARG 38 N -2.25 4.19 -0.96 7.34 3.00 -1.26 -4.72 118.95 124.29 1lgb s ARG 38 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 55.73 55.67 1lgb s ARG 38 Cb -0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 34.95 31.43 1lgb s ARG 38 CO 0.00 0.14 0.82 0.09 0.00 0.00 0.00 175.30 176.35 1lgb n ASN 39 N 3.96 -6.73 -4.03 0.23 5.03 -1.26 -5.06 115.26 107.40 1lgb n ASN 39 Ca -0.12 -0.57 -0.15 0.00 0.87 0.00 0.00 54.58 54.61 1lgb n ASN 39 Cb 0.52 -4.81 -0.13 0.00 -1.02 0.00 0.00 39.78 34.34 1lgb n ASN 39 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1lgb s THR 40 N -3.26 0.53 -0.12 3.41 -1.32 -1.26 -5.06 115.64 108.55 1lgb s THR 40 Ca 0.30 -0.74 -0.04 0.00 -1.21 0.00 0.00 61.69 60.00 1lgb s THR 40 Cb -0.06 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1lgb s THR 40 CO 0.77 -0.16 0.02 -0.69 -2.21 0.00 0.00 174.62 172.34 1lgb s VAL 41 N -0.86 4.44 -0.03 5.08 1.01 -1.26 -4.91 120.40 123.87 1lgb s VAL 41 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1lgb s VAL 41 Cb -0.07 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1lgb s VAL 41 CO 0.00 0.56 0.00 -0.83 0.00 0.00 0.00 175.10 174.83 1lgb s GLY 42 N -0.44 0.24 -0.24 4.51 0.00 -1.25 -1.12 107.32 109.02 1lgb s GLY 42 Ca 0.09 0.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.71 1lgb s GLY 42 CO 0.02 0.62 0.70 1.09 0.00 0.00 0.00 173.10 175.53 1lgb s ARG 43 N 1.06 0.84 -0.02 2.90 1.70 -0.99 -4.88 118.95 119.56 1lgb s ARG 43 Ca -0.09 0.89 0.01 0.00 -0.47 0.00 0.00 55.73 56.07 1lgb s ARG 43 Cb -0.13 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1lgb s ARG 43 CO -0.02 -0.12 -0.02 0.00 -1.08 0.00 0.00 175.30 174.06 1lgb s ALA 44 N 0.20 0.37 -0.06 7.88 0.00 -1.26 -0.35 121.76 128.54 1lgb s ALA 44 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1lgb s ALA 44 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.87 1lgb s ALA 44 CO 0.02 -0.00 0.07 -0.48 0.00 0.00 0.00 175.76 175.36 1lgb s LEU 45 N 0.57 0.15 0.21 0.00 0.05 -0.22 -4.93 118.68 114.52 1lgb s LEU 45 Ca -0.06 0.01 -0.19 0.00 0.05 0.00 0.00 54.13 53.94 1lgb s LEU 45 Cb -0.09 -0.14 -0.12 0.00 -2.05 0.00 0.00 46.19 43.79 1lgb s LEU 45 CO -0.01 -0.26 0.26 0.00 -0.55 0.00 0.00 176.35 175.79 1lgb n TYR 46 N 5.30 -0.84 -0.06 3.48 4.19 -1.26 -1.54 117.16 126.43 1lgb n TYR 46 Ca -0.03 0.62 -0.04 0.00 3.31 0.00 0.00 57.90 61.76 1lgb n TYR 46 Cb 0.50 -1.40 0.18 0.00 0.49 0.00 0.00 39.34 39.11 1lgb n TYR 46 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1lgb h SER 47 N 0.55 0.66 -3.36 2.98 4.64 -1.79 -3.44 113.55 113.79 1lgb h SER 47 Ca -0.23 -0.18 -0.57 0.00 -0.47 0.00 0.00 61.79 60.34 1lgb h SER 47 Cb 1.07 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.92 1lgb h SER 47 CO 0.39 0.78 0.18 -0.44 -0.87 0.00 0.00 176.83 176.88 1lgb s SER 48 N -6.70 6.90 0.33 4.97 0.01 -1.26 -5.04 113.70 112.91 1lgb s SER 48 Ca -0.09 1.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.99 1lgb s SER 48 Cb 0.14 -2.41 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 1lgb s SER 48 CO 0.80 -0.24 1.10 -2.16 0.41 0.00 0.00 173.24 173.15 1lgb s PRO 49 N 1.48 4.40 0.07 12.44 0.04 -1.26 -5.03 135.00 147.14 1lgb s PRO 49 Ca 0.35 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1lgb s PRO 49 Cb -0.17 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1lgb s PRO 49 CO 0.14 0.02 -0.03 0.96 0.04 0.00 0.00 177.00 178.13 1lgb s ILE 50 N -1.35 3.83 -0.24 0.56 -4.36 -1.26 -5.10 121.20 113.29 1lgb s ILE 50 Ca 0.50 -0.98 -0.08 0.00 -0.26 0.00 0.00 60.65 59.83 1lgb s ILE 50 Cb -0.29 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 1lgb s ILE 50 CO 0.37 0.18 0.09 -1.38 0.24 0.00 0.00 174.94 174.45 1lgb s HIS 51 N -1.22 3.15 -0.08 1.37 -3.43 -1.26 -5.00 115.29 108.81 1lgb s HIS 51 Ca 0.23 -0.19 -0.03 0.00 -0.80 0.00 0.00 55.06 54.27 1lgb s HIS 51 Cb -0.11 -2.23 -0.02 0.00 -1.43 0.00 0.00 32.58 28.79 1lgb s HIS 51 CO 0.15 -0.20 0.12 0.82 -2.00 0.00 0.00 174.74 173.63 1lgb h ILE 52 N 5.36 0.00 -4.74 -5.38 1.08 -1.99 -3.48 117.51 108.36 1lgb h ILE 52 Ca -0.37 -0.88 -0.18 0.00 -0.39 0.00 0.00 64.86 63.04 1lgb h ILE 52 Cb 1.18 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1lgb h ILE 52 CO 0.60 0.00 -0.06 -2.67 -0.69 0.00 0.00 178.15 175.33 1lgb n TRP 53 N -4.71 -2.01 -3.79 1.37 4.27 -1.26 -1.91 117.44 109.40 1lgb n TRP 53 Ca -0.01 -0.74 -0.25 0.00 -3.89 0.00 0.00 57.50 52.61 1lgb n TRP 53 Cb 0.04 -0.17 -0.17 0.00 -1.36 0.00 0.00 31.31 29.65 1lgb n TRP 53 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1lgb s ASP 54 N -2.14 2.10 0.15 -0.67 -1.08 -0.15 -4.91 116.67 109.97 1lgb s ASP 54 Ca 0.15 -0.35 -0.06 0.00 -0.52 0.00 0.00 52.55 51.78 1lgb s ASP 54 Cb -0.01 -0.57 -0.02 0.00 -1.46 0.00 0.00 42.92 40.86 1lgb s ASP 54 CO 0.10 -0.21 1.39 0.77 0.52 0.00 0.00 175.17 177.73 1lgb h SER 55 N 8.27 0.65 0.00 -0.34 4.64 -1.96 1.35 113.55 126.17 1lgb h SER 55 Ca -0.21 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1lgb h SER 55 Cb 1.12 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1lgb h SER 55 CO 0.31 1.19 0.13 0.50 -0.87 0.00 0.00 176.83 178.09 1lgb h LYS 56 N 0.37 0.00 -0.01 4.77 3.64 -1.99 -3.18 116.57 120.17 1lgb h LYS 56 Ca -0.04 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1lgb h LYS 56 Cb 1.34 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 1lgb h LYS 56 CO 0.14 0.00 -0.31 0.25 -2.27 0.00 0.00 179.45 177.26 1lgb n THR 57 N -2.95 0.04 -1.89 1.00 -2.24 -1.05 -5.04 114.28 102.14 1lgb n THR 57 Ca -0.03 -0.82 -0.06 0.00 -2.27 0.00 0.00 64.05 60.87 1lgb n THR 57 Cb 0.19 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 1lgb n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lgb n GLY 58 N -1.15 -0.06 3.68 3.38 0.00 0.46 -4.82 105.19 106.69 1lgb n GLY 58 Ca -0.19 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1lgb n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lgb s ASN 59 N -1.28 6.16 0.52 1.61 0.02 -1.12 -4.84 114.94 116.01 1lgb s ASN 59 Ca 0.12 0.17 -0.02 0.00 -1.02 0.00 0.00 52.86 52.11 1lgb s ASN 59 Cb -0.07 -2.11 0.01 0.00 0.02 0.00 0.00 41.25 39.10 1lgb s ASN 59 CO 0.14 0.08 0.78 0.68 0.02 0.00 0.00 177.10 178.81 1lgb s VAL 60 N 0.90 3.68 0.24 1.60 -7.23 -1.26 -0.98 120.40 117.34 1lgb s VAL 60 Ca 0.08 -0.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1lgb s VAL 60 Cb -0.13 -3.41 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1lgb s VAL 60 CO 0.03 -0.34 0.32 0.00 -0.31 0.00 0.00 175.10 174.81 1lgb s ALA 61 N -2.77 3.87 -0.12 1.32 0.00 -0.80 -4.76 121.76 118.51 1lgb s ALA 61 Ca 0.52 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1lgb s ALA 61 Cb -0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1lgb s ALA 61 CO 0.41 0.26 0.07 -0.80 0.00 0.00 0.00 175.76 175.70 1lgb s ASN 62 N -3.90 5.79 -0.19 0.00 0.01 -1.26 -3.04 114.94 112.35 1lgb s ASN 62 Ca 0.34 0.27 -0.20 0.00 -0.71 0.00 0.00 52.86 52.56 1lgb s ASN 62 Cb -0.09 -1.80 0.05 0.00 0.41 0.00 0.00 41.25 39.82 1lgb s ASN 62 CO 0.28 0.36 0.55 0.72 -1.51 0.00 0.00 177.10 177.51 1lgb s PHE 63 N -0.75 -0.60 0.05 2.20 -0.12 -1.24 -4.98 117.98 112.55 1lgb s PHE 63 Ca 0.12 1.42 0.06 0.00 -0.05 0.00 0.00 56.93 58.49 1lgb s PHE 63 Cb -0.12 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1lgb s PHE 63 CO 0.03 -0.31 -0.17 0.54 -0.05 0.00 0.00 175.22 175.25 1lgb s VAL 64 N 0.15 1.40 -0.03 -2.49 0.11 -1.26 -0.97 120.40 117.32 1lgb s VAL 64 Ca -0.01 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1lgb s VAL 64 Cb -0.04 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1lgb s VAL 64 CO 0.01 0.06 0.07 0.28 -3.33 0.00 0.00 175.10 172.19 1lgb s THR 65 N -0.90 -0.01 -0.03 5.04 -1.32 0.85 -4.96 115.64 114.31 1lgb s THR 65 Ca 0.04 0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 1lgb s THR 65 Cb -0.09 -0.11 0.01 0.00 -1.51 0.00 0.00 72.50 70.81 1lgb s THR 65 CO 0.02 0.02 -0.05 -0.55 -2.21 0.00 0.00 174.62 171.85 1lgb s SER 66 N 0.29 0.78 -0.18 8.08 0.15 -1.26 0.47 113.70 122.02 1lgb s SER 66 Ca -0.02 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 1lgb s SER 66 Cb -0.03 -0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.07 1lgb s SER 66 CO -0.01 -0.01 0.71 0.72 1.20 0.00 0.00 173.24 175.85 1lgb s PHE 67 N 0.51 -0.73 -0.57 3.44 -0.71 0.47 -4.97 117.98 115.43 1lgb s PHE 67 Ca -0.06 1.59 -0.10 0.00 -1.04 0.00 0.00 56.93 57.32 1lgb s PHE 67 Cb -0.10 0.33 0.14 0.00 -1.21 0.00 0.00 43.02 42.18 1lgb s PHE 67 CO -0.00 -0.47 0.45 0.95 -1.34 0.00 0.00 175.22 174.81 1lgb s THR 68 N -0.26 4.52 0.50 -4.49 -4.23 -1.25 -0.30 115.64 110.13 1lgb s THR 68 Ca -0.04 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.52 1lgb s THR 68 Cb -0.03 -3.92 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1lgb s THR 68 CO 0.05 -0.85 0.66 0.72 -0.54 0.00 0.00 174.62 174.65 1lgb s PHE 69 N 0.98 2.02 -0.14 3.99 -0.71 -0.81 -4.76 117.98 118.56 1lgb s PHE 69 Ca 0.09 -0.60 -0.11 0.00 -1.04 0.00 0.00 56.93 55.27 1lgb s PHE 69 Cb -0.23 -2.25 0.04 0.00 -1.21 0.00 0.00 43.02 39.37 1lgb s PHE 69 CO -0.02 -0.77 0.36 0.14 -1.34 0.00 0.00 175.22 173.59 1lgb s VAL 70 N -2.54 -0.01 -0.38 -2.49 -7.23 -1.26 -1.75 120.40 104.73 1lgb s VAL 70 Ca 0.57 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.80 1lgb s VAL 70 Cb -0.07 -0.52 0.11 0.00 0.56 0.00 0.00 36.38 36.46 1lgb s VAL 70 CO 0.35 0.01 0.12 -0.63 -0.31 0.00 0.00 175.10 174.64 1lgb s ILE 71 N 0.56 2.07 -0.24 -0.62 1.01 -1.26 -5.04 121.20 117.68 1lgb s ILE 71 Ca -0.03 -2.44 -0.06 0.00 0.00 0.00 0.00 60.65 58.12 1lgb s ILE 71 Cb -0.05 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1lgb s ILE 71 CO -0.03 -0.68 0.02 1.51 0.00 0.00 0.00 174.94 175.76 1lgb s ASP 72 N 0.70 4.75 0.07 3.58 -4.77 -1.26 -2.07 116.67 117.68 1lgb s ASP 72 Ca 0.13 -0.36 0.03 0.00 -3.30 0.00 0.00 52.55 49.05 1lgb s ASP 72 Cb -0.21 -1.83 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 1lgb s ASP 72 CO -0.08 -0.05 0.04 0.00 0.70 0.00 0.00 175.17 175.78 1lgb s ALA 73 N 1.54 3.42 0.28 2.11 0.00 -1.26 -4.91 121.76 122.94 1lgb s ALA 73 Ca 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1lgb s ALA 73 Cb -0.15 -1.33 0.36 0.00 0.00 0.00 0.00 23.12 22.00 1lgb s ALA 73 CO 0.00 0.72 1.93 -1.35 0.00 0.00 0.00 175.76 177.06 1lgb h PRO 74 N 3.51 1.15 -4.77 0.00 0.11 -1.96 -3.41 132.00 126.63 1lgb h PRO 74 Ca -0.47 -0.09 -0.60 0.00 0.11 0.00 0.00 66.00 64.94 1lgb h PRO 74 Cb 1.17 -0.25 -0.35 0.00 0.11 0.00 0.00 31.00 31.68 1lgb h PRO 74 CO 0.62 0.79 -0.84 1.21 -0.21 0.00 0.00 178.00 179.58 1lgb s ASN 75 N -6.27 2.60 0.00 -2.05 2.47 -1.26 -5.01 114.94 105.42 1lgb s ASN 75 Ca -0.12 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.69 1lgb s ASN 75 Cb 0.18 -1.16 0.00 0.00 -1.45 0.00 0.00 41.25 38.81 1lgb s ASN 75 CO 0.81 -0.00 0.34 -0.24 -3.72 0.00 0.00 177.10 174.28 1lgb n SER 76 N 4.38 0.59 0.00 -4.21 2.88 -1.26 -2.19 113.62 113.80 1lgb n SER 76 Ca -0.18 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.09 1lgb n SER 76 Cb 0.51 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1lgb n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lgb n TYR 77 N 0.13 0.00 -2.76 0.66 4.19 -1.26 -4.89 117.16 113.24 1lgb n TYR 77 Ca 0.00 -0.08 -0.09 0.00 3.31 0.00 0.00 57.90 61.04 1lgb n TYR 77 Cb 0.15 -0.01 0.06 0.00 0.49 0.00 0.00 39.34 40.03 1lgb n TYR 77 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1lgb n ASN 78 N -0.08 -0.39 -4.83 2.98 3.02 -0.93 -5.13 115.26 109.90 1lgb n ASN 78 Ca 0.00 -2.80 -0.30 0.00 -0.03 0.00 0.00 54.58 51.45 1lgb n ASN 78 Cb 0.37 0.37 0.08 0.00 -0.61 0.00 0.00 39.78 39.98 1lgb n ASN 78 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1lgb s VAL 79 N -1.34 3.03 0.00 2.41 -7.23 -1.26 -4.86 120.40 111.15 1lgb s VAL 79 Ca 0.26 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1lgb s VAL 79 Cb 0.40 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1lgb s VAL 79 CO -0.04 -0.44 0.00 0.00 -0.31 0.00 0.00 175.10 174.32 1lgb n ALA 80 N -3.35 0.00 -0.04 1.32 0.00 -1.25 -4.72 120.51 112.46 1lgb n ALA 80 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1lgb n ALA 80 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1lgb n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1lgb n ASP 81 N 0.00 1.78 -3.61 0.00 -0.08 -1.26 -5.07 116.55 108.31 1lgb n ASP 81 Ca 0.00 0.05 -0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1lgb n ASP 81 Cb 0.00 -0.21 -0.01 0.00 2.34 0.00 0.00 41.12 43.23 1lgb n ASP 81 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1lgb s GLY 82 N -5.03 -0.34 -0.05 0.27 0.00 -1.26 -1.98 107.32 98.92 1lgb s GLY 82 Ca -0.12 1.35 0.03 0.00 0.00 0.00 0.00 44.72 45.98 1lgb s GLY 82 CO 0.18 0.39 -0.14 -0.12 0.00 0.00 0.00 173.10 173.41 1lgb s PHE 83 N -2.20 1.49 -0.06 1.90 2.19 -0.65 -4.89 117.98 115.76 1lgb s PHE 83 Ca 0.13 -0.48 -0.07 0.00 0.33 0.00 0.00 56.93 56.83 1lgb s PHE 83 Cb 0.02 -1.05 0.02 0.00 -1.31 0.00 0.00 43.02 40.70 1lgb s PHE 83 CO -0.04 -0.21 0.19 0.99 1.83 0.00 0.00 175.22 177.99 1lgb s THR 84 N 0.33 0.02 -0.32 0.12 2.01 -1.26 -0.74 115.64 115.80 1lgb s THR 84 Ca -0.09 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1lgb s THR 84 Cb -0.13 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1lgb s THR 84 CO 0.03 -0.09 0.20 0.12 -0.69 0.00 0.00 174.62 174.19 1lgb s PHE 85 N -0.27 3.21 0.25 4.92 5.36 0.27 -4.96 117.98 126.75 1lgb s PHE 85 Ca -0.04 -0.27 0.12 0.00 -0.96 0.00 0.00 56.93 55.78 1lgb s PHE 85 Cb -0.03 -2.42 -0.05 0.00 -0.34 0.00 0.00 43.02 40.18 1lgb s PHE 85 CO 0.01 -0.36 -0.20 -0.59 -1.46 0.00 0.00 175.22 172.62 1lgb s PHE 86 N 1.70 2.32 -0.09 10.12 -0.12 -1.26 -0.54 117.98 130.10 1lgb s PHE 86 Ca 0.06 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 1lgb s PHE 86 Cb -0.17 -1.06 0.02 0.00 -0.63 0.00 0.00 43.02 41.18 1lgb s PHE 86 CO 0.09 0.63 -0.13 0.42 -0.05 0.00 0.00 175.22 176.19 1lgb s ILE 87 N -2.18 1.27 0.23 -4.49 1.01 -0.76 -4.99 121.20 111.29 1lgb s ILE 87 Ca 0.27 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 1lgb s ILE 87 Cb -0.06 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1lgb s ILE 87 CO 0.13 0.39 0.58 0.00 0.00 0.00 0.00 174.94 176.05 1lgb s ALA 88 N 1.02 -0.91 0.09 9.38 0.00 -1.26 -2.84 121.76 127.25 1lgb s ALA 88 Ca -0.07 -0.36 -0.36 0.00 0.00 0.00 0.00 51.96 51.17 1lgb s ALA 88 Cb -0.15 0.90 -0.16 0.00 0.00 0.00 0.00 23.12 23.72 1lgb s ALA 88 CO -0.01 -0.89 1.43 -0.35 0.00 0.00 0.00 175.76 175.94 1lgb n PRO 89 N -0.39 1.45 -0.12 0.00 -0.04 -1.26 -4.84 135.00 129.80 1lgb n PRO 89 Ca -0.06 0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 63.89 1lgb n PRO 89 Cb 0.61 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1lgb n PRO 89 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1lgb n VAL 90 N 2.88 -0.20 -0.89 0.52 0.31 -1.26 -1.46 118.33 118.23 1lgb n VAL 90 Ca 0.18 0.78 -0.27 0.00 -0.01 0.00 0.00 64.34 65.02 1lgb n VAL 90 Cb 0.22 -0.96 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 1lgb n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lgb n ASP 91 N -4.19 5.42 -4.80 4.52 -0.08 -1.26 -4.90 116.55 111.27 1lgb n ASP 91 Ca 0.01 -2.40 -0.32 0.00 -1.51 0.00 0.00 54.79 50.56 1lgb n ASP 91 Cb 0.08 -1.19 -0.07 0.00 2.34 0.00 0.00 41.12 42.28 1lgb n ASP 91 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1lgb s THR 92 N 3.30 4.78 0.05 5.18 -1.32 -0.53 -5.12 115.64 121.98 1lgb s THR 92 Ca 0.46 -0.46 -0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1lgb s THR 92 Cb 0.12 -3.22 -0.01 0.00 -1.51 0.00 0.00 72.50 67.88 1lgb s THR 92 CO -0.03 0.29 0.11 -0.54 -2.21 0.00 0.00 174.62 172.25 1lgb s LYS 93 N -1.92 0.65 -0.49 7.08 1.02 -1.26 -5.11 119.74 119.71 1lgb s LYS 93 Ca 0.25 -0.83 -0.45 0.00 0.02 0.00 0.00 55.97 54.96 1lgb s LYS 93 Cb -0.12 0.26 -0.19 0.00 -0.52 0.00 0.00 37.83 37.25 1lgb s LYS 93 CO 0.17 -0.17 1.94 -2.30 -0.92 0.00 0.00 175.35 174.06 1lgb n PRO 94 N 0.52 0.05 -1.85 -1.68 -0.02 -1.26 -4.95 135.00 125.80 1lgb n PRO 94 Ca -0.18 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.16 1lgb n PRO 94 Cb 0.60 -1.53 0.08 0.00 -0.02 0.00 0.00 33.50 32.63 1lgb n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lgb n GLN 95 N 6.22 0.06 -1.40 -0.52 1.13 0.05 -4.96 117.38 117.96 1lgb n GLN 95 Ca 0.46 -1.75 -0.55 0.00 -1.94 0.00 0.00 57.00 53.21 1lgb n GLN 95 Cb -0.04 -0.47 -0.08 0.00 0.11 0.00 0.00 30.24 29.76 1lgb n GLN 95 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1lgb n THR 96 N -2.42 0.00 0.00 5.09 -1.04 -1.04 -4.30 114.28 110.58 1lgb n THR 96 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1lgb n THR 96 Cb 0.39 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1lgb n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lgb n GLY 97 N 2.21 -1.11 7.00 3.41 0.00 -1.26 -2.27 105.19 113.17 1lgb n GLY 97 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1lgb n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgb n GLY 98 N 2.48 2.40 1.18 -0.02 0.00 -1.26 -1.47 105.19 108.49 1lgb n GLY 98 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 1lgb n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgb n GLY 99 N 0.00 2.41 0.66 -0.02 0.00 -1.26 -3.71 105.19 103.27 1lgb n GLY 99 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1lgb n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lgb n TYR 100 N 0.09 0.11 -1.52 1.61 4.01 -0.54 -4.96 117.16 115.96 1lgb n TYR 100 Ca 0.13 -0.09 -0.18 0.00 -0.16 0.00 0.00 57.90 57.61 1lgb n TYR 100 Cb 0.71 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.66 1lgb n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1lgb n LEU 101 N 0.87 -1.30 -1.46 7.72 4.77 -1.24 -2.17 117.00 124.18 1lgb n LEU 101 Ca 0.10 0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 56.36 1lgb n LEU 101 Cb 0.40 -2.57 -0.06 0.00 -2.33 0.00 0.00 43.42 38.87 1lgb n LEU 101 CO 0.10 -0.96 -0.18 0.61 -1.33 0.00 0.00 177.39 175.64 1lgb n GLY 102 N -0.32 1.15 0.00 -0.72 0.00 -0.96 -4.85 105.19 99.48 1lgb n GLY 102 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1lgb n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lgb n VAL 103 N -2.91 0.00 -3.72 1.61 0.24 -0.92 -0.77 118.33 111.86 1lgb n VAL 103 Ca -0.18 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.08 1lgb n VAL 103 Cb 0.58 -0.71 -0.00 0.00 -1.47 0.00 0.00 33.84 32.24 1lgb n VAL 103 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1lgb n PHE 104 N -1.82 -0.92 -0.21 6.34 3.72 -1.22 -4.70 117.46 118.65 1lgb n PHE 104 Ca 0.00 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1lgb n PHE 104 Cb 0.39 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1lgb n PHE 104 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1lgb n ASN 105 N -1.72 0.00 -4.00 4.37 3.02 -1.26 -2.48 115.26 113.19 1lgb n ASN 105 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.41 1lgb n ASN 105 Cb 0.10 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 1lgb n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lgb s SER 106 N 0.00 0.55 0.16 6.41 0.15 -1.26 -4.99 113.70 114.72 1lgb s SER 106 Ca 0.00 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 1lgb s SER 106 Cb 0.00 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1lgb s SER 106 CO 0.00 -0.15 1.56 0.07 1.20 0.00 0.00 173.24 175.92 1lgb h LYS 107 N 5.03 0.97 -7.04 5.44 -0.00 -1.96 -3.36 116.57 115.65 1lgb h LYS 107 Ca -0.32 -0.38 -0.50 0.00 -0.00 0.00 0.00 60.65 59.45 1lgb h LYS 107 Cb 1.20 -0.05 0.07 0.00 -0.00 0.00 0.00 32.23 33.45 1lgb h LYS 107 CO 0.44 1.05 0.46 -0.51 -0.00 0.00 0.00 179.45 180.89 1lgb s ASP 108 N -6.61 5.96 0.13 7.07 1.01 -1.26 -3.98 116.67 118.97 1lgb s ASP 108 Ca -0.12 2.24 -0.32 0.00 0.71 0.00 0.00 52.55 55.06 1lgb s ASP 108 Cb 0.12 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.35 1lgb s ASP 108 CO 0.86 -1.06 1.80 0.00 0.21 0.00 0.00 175.17 176.98 1lgb n TYR 109 N -0.89 2.60 -3.74 4.23 4.19 -1.26 -4.58 117.16 117.71 1lgb n TYR 109 Ca 0.09 -0.08 -0.29 0.00 3.31 0.00 0.00 57.90 60.93 1lgb n TYR 109 Cb 0.49 -2.70 -0.13 0.00 0.49 0.00 0.00 39.34 37.49 1lgb n TYR 109 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1lgb s ASP 110 N 2.44 3.72 0.33 2.98 2.15 0.20 -5.00 116.67 123.50 1lgb s ASP 110 Ca 0.81 -2.72 0.18 0.00 0.43 0.00 0.00 52.55 51.25 1lgb s ASP 110 Cb -0.51 -1.12 1.20 0.00 -0.30 0.00 0.00 42.92 42.18 1lgb s ASP 110 CO 0.37 -0.25 1.44 2.29 -0.17 0.00 0.00 175.17 178.85 1lgb n LYS 111 N 3.43 -0.06 -0.34 4.34 -0.00 -1.26 -1.58 118.16 122.69 1lgb n LYS 111 Ca 0.09 1.26 0.15 0.00 -0.00 0.00 0.00 58.31 59.81 1lgb n LYS 111 Cb 0.34 -2.25 0.34 0.00 -0.00 0.00 0.00 35.03 33.47 1lgb n LYS 111 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1lgb h THR 112 N 0.00 0.58 -0.74 0.58 2.02 -1.94 -2.82 112.91 110.59 1lgb h THR 112 Ca 0.76 -0.21 0.17 0.00 0.77 0.00 0.00 66.41 67.90 1lgb h THR 112 Cb 1.99 -0.07 -0.12 0.00 -1.74 0.00 0.00 68.15 68.20 1lgb h THR 112 CO -0.71 0.11 0.04 0.77 0.37 0.00 0.00 175.52 176.10 1lgb h SER 113 N 0.60 -0.27 -5.63 4.18 4.64 -1.65 -3.46 113.55 111.96 1lgb h SER 113 Ca 0.60 0.18 -0.34 0.00 -0.47 0.00 0.00 61.79 61.76 1lgb h SER 113 Cb 1.07 0.31 0.16 0.00 -0.31 0.00 0.00 62.40 63.63 1lgb h SER 113 CO -0.45 -0.15 -0.73 0.00 -0.87 0.00 0.00 176.83 174.63 1lgb n GLN 114 N -5.30 -6.86 -3.76 4.77 6.02 -1.07 -4.65 117.38 106.53 1lgb n GLN 114 Ca 0.13 0.83 -0.28 0.00 -0.01 0.00 0.00 57.00 57.67 1lgb n GLN 114 Cb 0.46 -5.81 -0.16 0.00 1.02 0.00 0.00 30.24 25.75 1lgb n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lgb s THR 115 N -3.34 0.65 -0.19 5.09 2.01 -1.26 -4.04 115.64 114.55 1lgb s THR 115 Ca 0.15 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 1lgb s THR 115 Cb -0.07 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1lgb s THR 115 CO 0.72 -0.17 0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 1lgb s VAL 116 N 1.80 4.71 0.07 3.82 1.01 -1.13 -1.47 120.40 129.21 1lgb s VAL 116 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1lgb s VAL 116 Cb -0.17 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1lgb s VAL 116 CO -0.08 0.45 0.16 0.00 0.00 0.00 0.00 175.10 175.64 1lgb s ALA 117 N 0.46 -0.16 -0.20 5.51 0.00 0.50 -1.82 121.76 126.05 1lgb s ALA 117 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1lgb s ALA 117 Cb -0.13 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1lgb s ALA 117 CO 0.01 -0.45 -0.01 0.54 0.00 0.00 0.00 175.76 175.85 1lgb s VAL 118 N -3.50 3.79 -0.06 0.00 0.11 0.30 0.22 120.40 121.25 1lgb s VAL 118 Ca 0.02 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.76 1lgb s VAL 118 Cb 0.04 -2.71 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1lgb s VAL 118 CO -0.09 0.43 -0.22 -0.70 -3.33 0.00 0.00 175.10 171.18 1lgb s GLU 119 N 1.10 2.56 -0.49 1.54 -6.30 0.97 -0.56 118.70 117.51 1lgb s GLU 119 Ca 0.02 -0.86 -0.03 0.00 -2.50 0.00 0.00 54.97 51.60 1lgb s GLU 119 Cb -0.14 -2.22 0.13 0.00 0.00 0.00 0.00 34.13 31.89 1lgb s GLU 119 CO 0.01 0.43 0.30 -0.06 0.02 0.00 0.00 175.26 175.95 1lgb s PHE 120 N -0.27 3.52 -0.07 5.30 0.08 0.08 0.11 117.98 126.72 1lgb s PHE 120 Ca 0.00 -2.51 -0.10 0.00 0.12 0.00 0.00 56.93 54.43 1lgb s PHE 120 Cb -0.13 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 1lgb s PHE 120 CO 0.03 -0.92 0.25 0.34 -0.10 0.00 0.00 175.22 174.81 1lgb s ASP 121 N 1.43 6.56 -0.21 1.36 2.15 0.13 -1.64 116.67 126.45 1lgb s ASP 121 Ca 0.11 0.67 0.13 0.00 0.43 0.00 0.00 52.55 53.89 1lgb s ASP 121 Cb -0.22 -2.15 0.44 0.00 -0.30 0.00 0.00 42.92 40.70 1lgb s ASP 121 CO -0.04 0.37 1.20 0.35 -0.17 0.00 0.00 175.17 176.88 1lgb n THR 122 N 1.94 1.95 -3.15 1.71 -2.24 -0.84 -2.21 114.28 111.44 1lgb n THR 122 Ca -0.17 -3.23 0.04 0.00 -2.27 0.00 0.00 64.05 58.42 1lgb n THR 122 Cb 0.54 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1lgb n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1lgb s PHE 123 N -2.98 -1.28 0.42 4.78 5.36 -1.23 -3.91 117.98 119.15 1lgb s PHE 123 Ca 0.41 1.23 -0.26 0.00 -0.96 0.00 0.00 56.93 57.34 1lgb s PHE 123 Cb 0.38 0.40 -0.10 0.00 -0.34 0.00 0.00 43.02 43.36 1lgb s PHE 123 CO -0.05 -0.71 1.34 0.98 -1.46 0.00 0.00 175.22 175.32 1lgb n TYR 124 N 5.42 2.39 -3.70 10.12 9.36 -1.26 -5.01 117.16 134.48 1lgb n TYR 124 Ca -0.01 0.48 -0.29 0.00 3.32 0.00 0.00 57.90 61.40 1lgb n TYR 124 Cb 0.53 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.66 1lgb n TYR 124 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1lgb s ASN 125 N -0.46 3.51 0.25 2.98 -0.87 -1.26 -5.03 114.94 114.06 1lgb s ASN 125 Ca 0.60 -1.25 -0.14 0.00 -1.57 0.00 0.00 52.86 50.50 1lgb s ASN 125 Cb -0.49 -0.67 0.33 0.00 -0.02 0.00 0.00 41.25 40.39 1lgb s ASN 125 CO 0.59 -0.38 1.56 0.74 -2.57 0.00 0.00 177.10 177.04 1lgb h THR 126 N 6.49 0.00 -0.12 1.60 2.02 -1.95 0.24 112.91 121.19 1lgb h THR 126 Ca -0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1lgb h THR 126 Cb 1.06 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1lgb h THR 126 CO 0.41 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.62 1lgb h ALA 127 N 1.62 1.55 0.00 6.16 0.00 -2.03 -3.32 119.26 123.24 1lgb h ALA 127 Ca 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1lgb h ALA 127 Cb 0.65 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lgb h ALA 127 CO -1.00 -0.38 -0.05 -2.67 0.00 0.00 0.00 179.25 175.15 1lgb n TRP 128 N -3.21 0.00 -4.33 0.00 2.14 -0.23 -5.09 117.44 106.71 1lgb n TRP 128 Ca 0.01 -0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.30 1lgb n TRP 128 Cb 0.40 0.22 -0.11 0.00 -0.81 0.00 0.00 31.31 31.02 1lgb n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1lgb s ASP 129 N -0.09 3.91 -0.28 -0.67 1.01 0.67 -4.55 116.67 116.66 1lgb s ASP 129 Ca 0.00 -0.66 -0.33 0.00 0.71 0.00 0.00 52.55 52.27 1lgb s ASP 129 Cb 0.00 -0.53 -0.09 0.00 1.01 0.00 0.00 42.92 43.30 1lgb s ASP 129 CO -0.00 0.13 2.17 -0.81 0.21 0.00 0.00 175.17 176.86 1lgb n PRO 130 N 0.29 1.48 -1.65 8.23 -0.04 -1.26 -4.76 135.00 137.28 1lgb n PRO 130 Ca -0.12 0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1lgb n PRO 130 Cb 0.55 -2.73 -0.07 0.00 -0.04 0.00 0.00 33.50 31.22 1lgb n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lgb s SER 131 N 7.28 4.11 0.00 3.54 0.15 -1.26 -2.86 113.70 124.65 1lgb s SER 131 Ca 1.05 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1lgb s SER 131 Cb -0.67 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.09 1lgb s SER 131 CO 0.45 -3.67 0.00 -0.46 1.20 0.00 0.00 173.24 170.76 1lgb n ASN 132 N 17.83 0.00 0.00 5.45 6.94 -1.26 -5.05 115.26 139.17 1lgb n ASN 132 Ca 0.45 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.96 1lgb n ASN 132 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 1lgb n ASN 132 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lgb n GLY 133 N 0.00 1.10 0.00 4.83 0.00 -1.14 -4.92 105.19 105.06 1lgb n GLY 133 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1lgb n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lgb n ASP 134 N 2.44 0.00 -4.64 1.61 9.92 -1.26 -4.35 116.55 120.28 1lgb n ASP 134 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 1lgb n ASP 134 Cb 0.00 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 40.62 1lgb n ASP 134 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1lgb n ARG 135 N 0.00 -0.07 -3.80 -1.24 1.74 -1.26 -4.81 116.66 107.23 1lgb n ARG 135 Ca 0.00 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.11 1lgb n ARG 135 Cb 0.00 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 1lgb n ARG 135 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1lgb s HIS 136 N -2.30 -0.03 0.22 -1.55 -3.43 -0.94 -0.95 115.29 106.31 1lgb s HIS 136 Ca 0.69 -0.27 0.06 0.00 -0.80 0.00 0.00 55.06 54.74 1lgb s HIS 136 Cb -0.27 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1lgb s HIS 136 CO 0.55 -0.75 0.18 0.42 -2.00 0.00 0.00 174.74 173.15 1lgb s ILE 137 N -2.63 4.49 0.15 -5.38 1.01 0.03 -0.69 121.20 118.18 1lgb s ILE 137 Ca 0.17 -1.27 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 1lgb s ILE 137 Cb -0.01 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.14 1lgb s ILE 137 CO 0.02 -0.26 0.82 -0.83 0.00 0.00 0.00 174.94 174.69 1lgb s GLY 138 N -3.58 -0.32 -0.32 6.18 0.00 0.30 -0.77 107.32 108.79 1lgb s GLY 138 Ca 0.32 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.32 1lgb s GLY 138 CO 0.25 0.08 0.03 -0.42 0.00 0.00 0.00 173.10 173.03 1lgb s ILE 139 N -3.50 2.63 0.42 0.90 -1.09 -0.22 -0.02 121.20 120.32 1lgb s ILE 139 Ca 0.08 -1.87 -0.10 0.00 -2.23 0.00 0.00 60.65 56.53 1lgb s ILE 139 Cb -0.02 -2.71 -0.06 0.00 -1.58 0.00 0.00 42.46 38.09 1lgb s ILE 139 CO -0.02 -0.35 0.78 -1.81 -1.23 0.00 0.00 174.94 172.31 1lgb s ASP 140 N 1.22 6.48 -0.29 3.58 1.01 0.58 -2.65 116.67 126.60 1lgb s ASP 140 Ca 0.01 1.11 -0.02 0.00 0.71 0.00 0.00 52.55 54.37 1lgb s ASP 140 Cb -0.20 -2.32 0.19 0.00 1.01 0.00 0.00 42.92 41.60 1lgb s ASP 140 CO -0.05 -0.44 0.79 0.54 0.21 0.00 0.00 175.17 176.22 1lgb s VAL 141 N -2.45 -0.68 -0.97 -1.27 0.11 -1.25 -0.37 120.40 113.52 1lgb s VAL 141 Ca 0.51 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1lgb s VAL 141 Cb -0.10 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1lgb s VAL 141 CO 0.34 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.70 1lgb n ASN 142 N 5.31 -3.91 0.00 3.54 3.02 -0.54 -4.72 115.26 117.95 1lgb n ASN 142 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1lgb n ASN 142 Cb 0.55 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.56 1lgb n ASN 142 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1lgb n SER 143 N -0.31 0.00 0.00 6.41 7.64 -1.26 -0.63 113.62 125.47 1lgb n SER 143 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1lgb n SER 143 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1lgb n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lgb n ILE 144 N 0.00 0.00 -2.72 0.44 0.13 -1.26 -4.33 119.36 111.63 1lgb n ILE 144 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 1lgb n ILE 144 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 1lgb n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1lgb s LYS 145 N 0.00 3.54 0.71 9.51 2.20 -1.26 -4.97 119.74 129.48 1lgb s LYS 145 Ca 0.00 0.21 -0.12 0.00 -0.36 0.00 0.00 55.97 55.70 1lgb s LYS 145 Cb 0.00 -3.96 0.19 0.00 -1.51 0.00 0.00 37.83 32.54 1lgb s LYS 145 CO 0.00 -1.40 0.42 0.43 -0.36 0.00 0.00 175.35 174.44 1lgb n SER 146 N 7.65 -3.06 -0.00 1.43 7.64 -1.26 -4.81 113.62 121.20 1lgb n SER 146 Ca 0.07 -0.43 0.06 0.00 1.01 0.00 0.00 58.87 59.59 1lgb n SER 146 Cb 0.49 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1lgb n SER 146 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1lgb n ILE 147 N -4.37 0.00 -3.64 0.44 -5.35 -1.08 -4.95 119.36 100.40 1lgb n ILE 147 Ca 0.07 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 1lgb n ILE 147 Cb 0.29 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 38.82 1lgb n ILE 147 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1lgb s ASN 148 N -2.69 -0.88 -0.07 7.28 3.84 -1.26 -5.04 114.94 116.12 1lgb s ASN 148 Ca 0.01 1.49 -0.04 0.00 0.21 0.00 0.00 52.86 54.53 1lgb s ASN 148 Cb 0.09 1.41 0.03 0.00 -0.55 0.00 0.00 41.25 42.23 1lgb s ASN 148 CO 0.53 -0.24 0.16 0.42 -2.79 0.00 0.00 177.10 175.17 1lgb s THR 149 N 1.24 -0.03 -0.13 -5.21 -4.23 -1.26 -1.06 115.64 104.96 1lgb s THR 149 Ca -0.07 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 1lgb s THR 149 Cb -0.05 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.56 1lgb s THR 149 CO -0.13 0.04 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.09 1lgb s LYS 150 N 0.76 2.29 0.59 3.99 2.36 0.05 -4.95 119.74 124.83 1lgb s LYS 150 Ca -0.06 -0.57 -0.20 0.00 -2.55 0.00 0.00 55.97 52.59 1lgb s LYS 150 Cb -0.07 -2.01 -0.03 0.00 -1.05 0.00 0.00 37.83 34.66 1lgb s LYS 150 CO -0.04 -0.14 1.33 -1.12 1.55 0.00 0.00 175.35 176.92 1lgb s SER 151 N 1.22 4.96 -0.01 1.43 0.01 -1.26 -0.79 113.70 119.25 1lgb s SER 151 Ca -0.01 2.69 -0.25 0.00 1.31 0.00 0.00 55.95 59.69 1lgb s SER 151 Cb -0.14 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.52 1lgb s SER 151 CO -0.06 -1.77 0.55 0.86 0.41 0.00 0.00 173.24 173.22 1lgb s TRP 152 N -1.35 -0.48 -0.02 2.43 -0.00 -0.13 -4.82 118.94 114.57 1lgb s TRP 152 Ca 0.77 0.74 -0.30 0.00 -0.00 0.00 0.00 56.10 57.31 1lgb s TRP 152 Cb -0.39 0.31 -0.03 0.00 -0.00 0.00 0.00 33.47 33.36 1lgb s TRP 152 CO 0.44 -0.56 1.05 0.00 -0.00 0.00 0.00 176.95 177.88 1lgb s ALA 153 N -1.56 3.30 0.10 5.86 0.00 -1.26 -4.44 121.76 123.75 1lgb s ALA 153 Ca -0.10 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.21 1lgb s ALA 153 Cb -0.01 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 1lgb s ALA 153 CO 0.05 -0.42 1.73 1.25 0.00 0.00 0.00 175.76 178.38 1lgb h LEU 154 N 7.25 0.11 0.38 0.00 6.46 -2.00 -3.47 115.31 124.03 1lgb h LEU 154 Ca -0.38 -0.03 -0.41 0.00 -0.12 0.00 0.00 57.88 56.95 1lgb h LEU 154 Cb 1.20 -0.03 0.02 0.00 -0.73 0.00 0.00 40.66 41.12 1lgb h LEU 154 CO 0.80 0.10 -0.62 0.00 -0.62 0.00 0.00 178.44 178.10 1lgb n GLN 155 N -5.01 -5.02 -0.66 1.25 1.13 -1.26 -4.70 117.38 103.11 1lgb n GLN 155 Ca -0.05 0.75 -0.30 0.00 -1.94 0.00 0.00 57.00 55.46 1lgb n GLN 155 Cb 0.04 -5.60 -0.05 0.00 0.11 0.00 0.00 30.24 24.73 1lgb n GLN 155 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1lgb n ASN 156 N -2.57 0.42 0.00 1.08 2.85 -1.26 -0.75 115.26 115.02 1lgb n ASN 156 Ca -0.05 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1lgb n ASN 156 Cb 0.58 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1lgb n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lgb n GLY 157 N 3.15 3.27 3.80 8.20 0.00 -0.88 -4.87 105.19 117.87 1lgb n GLY 157 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1lgb n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lgb s LYS 158 N -0.75 4.32 0.72 1.61 3.01 0.07 -4.85 119.74 123.87 1lgb s LYS 158 Ca 0.00 1.27 -0.14 0.00 -1.01 0.00 0.00 55.97 56.08 1lgb s LYS 158 Cb 0.00 -2.44 0.04 0.00 -1.01 0.00 0.00 37.83 34.41 1lgb s LYS 158 CO 0.00 0.03 1.16 -1.21 0.51 0.00 0.00 175.35 175.85 1lgb s GLU 159 N -2.69 2.28 -0.07 1.68 8.01 -1.26 -4.60 118.70 122.05 1lgb s GLU 159 Ca 0.58 1.58 -0.03 0.00 0.01 0.00 0.00 54.97 57.11 1lgb s GLU 159 Cb -0.15 -1.87 0.04 0.00 -4.31 0.00 0.00 34.13 27.84 1lgb s GLU 159 CO 0.19 -1.69 0.07 0.00 0.01 0.00 0.00 175.26 173.84 1lgb s ALA 160 N -2.22 0.29 -0.53 5.21 0.00 -0.72 -4.48 121.76 119.32 1lgb s ALA 160 Ca 0.70 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 1lgb s ALA 160 Cb -0.25 -0.73 0.07 0.00 0.00 0.00 0.00 23.12 22.21 1lgb s ALA 160 CO 0.46 -0.66 0.65 0.54 0.00 0.00 0.00 175.76 176.75 1lgb s ASN 161 N 2.16 6.21 0.33 0.00 4.22 -0.30 -1.93 114.94 125.63 1lgb s ASN 161 Ca 0.04 -1.03 0.08 0.00 -2.14 0.00 0.00 52.86 49.81 1lgb s ASN 161 Cb -0.13 -2.30 -0.03 0.00 1.28 0.00 0.00 41.25 40.07 1lgb s ASN 161 CO -0.05 -0.95 0.25 0.68 -2.04 0.00 0.00 177.10 174.99 1lgb s VAL 162 N 2.67 3.49 -0.28 3.54 -7.23 0.59 -1.93 120.40 121.24 1lgb s VAL 162 Ca 0.14 -1.45 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 1lgb s VAL 162 Cb -0.20 -3.15 0.09 0.00 0.56 0.00 0.00 36.38 33.68 1lgb s VAL 162 CO 0.11 -0.19 0.76 0.54 -0.31 0.00 0.00 175.10 176.01 1lgb s VAL 163 N -2.32 0.00 -0.03 1.32 0.11 -0.98 -0.39 120.40 118.10 1lgb s VAL 163 Ca 0.40 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1lgb s VAL 163 Cb -0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1lgb s VAL 163 CO 0.25 0.00 0.01 -0.51 -3.33 0.00 0.00 175.10 171.52 1lgb s ILE 164 N 1.09 0.16 -0.07 7.04 2.07 0.18 -2.77 121.20 128.91 1lgb s ILE 164 Ca -0.06 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1lgb s ILE 164 Cb -0.05 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1lgb s ILE 164 CO -0.12 0.15 -0.04 0.00 -1.91 0.00 0.00 174.94 173.02 1lgb s ALA 165 N 1.19 0.84 0.53 1.50 0.00 -1.16 -0.11 121.76 124.55 1lgb s ALA 165 Ca -0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1lgb s ALA 165 Cb -0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1lgb s ALA 165 CO -0.02 -0.20 0.83 0.12 0.00 0.00 0.00 175.76 176.49 1lgb s PHE 166 N 1.34 3.43 -0.23 0.00 5.36 -0.14 -3.39 117.98 124.35 1lgb s PHE 166 Ca -0.04 0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 56.65 1lgb s PHE 166 Cb -0.14 -2.48 0.03 0.00 -0.34 0.00 0.00 43.02 40.09 1lgb s PHE 166 CO -0.03 -0.50 -0.10 1.21 -1.46 0.00 0.00 175.22 174.34 1lgb s ASN 167 N -4.19 4.06 0.07 6.13 3.84 -0.22 -3.62 114.94 121.00 1lgb s ASN 167 Ca 0.50 -0.84 -0.21 0.00 0.21 0.00 0.00 52.86 52.53 1lgb s ASN 167 Cb -0.10 -1.62 -0.11 0.00 -0.55 0.00 0.00 41.25 38.87 1lgb s ASN 167 CO 0.45 -0.10 1.50 1.23 -2.79 0.00 0.00 177.10 177.40 1lgb h GLY 168 N 7.98 0.32 1.04 1.21 0.00 -1.83 1.54 103.07 113.32 1lgb h GLY 168 Ca -0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1lgb h GLY 168 CO 0.58 0.21 0.31 0.00 0.00 0.00 0.00 176.54 177.64 1lgb h ALA 169 N 0.78 0.99 -0.21 3.60 0.00 -1.88 -3.21 119.26 119.33 1lgb h ALA 169 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1lgb h ALA 169 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1lgb h ALA 169 CO 0.01 0.61 0.00 2.41 0.00 0.00 0.00 179.25 182.28 1lgb n THR 170 N -4.31 0.35 -4.25 0.00 -1.04 -1.17 -4.99 114.28 98.86 1lgb n THR 170 Ca 0.07 -0.67 -0.33 0.00 -2.04 0.00 0.00 64.05 61.07 1lgb n THR 170 Cb 0.18 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 69.70 1lgb n THR 170 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1lgb n ASN 171 N 1.07 -0.76 -3.89 8.00 3.02 0.52 -4.93 115.26 118.29 1lgb n ASN 171 Ca 0.14 -1.15 -0.27 0.00 -0.03 0.00 0.00 54.58 53.27 1lgb n ASN 171 Cb 0.48 -2.21 -0.17 0.00 -0.61 0.00 0.00 39.78 37.28 1lgb n ASN 171 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1lgb s VAL 172 N -3.84 0.99 -0.00 2.41 0.11 -1.11 -4.88 120.40 114.07 1lgb s VAL 172 Ca 0.31 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1lgb s VAL 172 Cb -0.18 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1lgb s VAL 172 CO 0.96 0.32 0.20 -1.48 -3.33 0.00 0.00 175.10 171.77 1lgb s LEU 173 N 1.72 4.37 -0.06 2.54 0.05 -1.26 -1.06 118.68 124.98 1lgb s LEU 173 Ca 0.04 0.38 0.02 0.00 0.05 0.00 0.00 54.13 54.62 1lgb s LEU 173 Cb -0.13 -2.64 0.02 0.00 -2.05 0.00 0.00 46.19 41.38 1lgb s LEU 173 CO -0.08 0.26 -0.09 -0.89 -0.55 0.00 0.00 176.35 175.00 1lgb s THR 174 N -1.33 0.90 -0.06 5.48 2.01 -1.22 -5.00 115.64 116.41 1lgb s THR 174 Ca 0.28 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.00 1lgb s THR 174 Cb -0.13 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 1lgb s THR 174 CO 0.19 0.31 -0.25 0.68 -0.69 0.00 0.00 174.62 174.86 1lgb s VAL 175 N 0.81 2.02 -0.05 3.82 -7.23 -1.26 -3.00 120.40 115.51 1lgb s VAL 175 Ca -0.12 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1lgb s VAL 175 Cb -0.15 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.10 1lgb s VAL 175 CO 0.02 0.56 0.00 -0.44 -0.31 0.00 0.00 175.10 174.93 1lgb s SER 176 N -0.12 1.17 -0.29 4.85 0.01 -1.11 -5.04 113.70 113.16 1lgb s SER 176 Ca -0.05 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 1lgb s SER 176 Cb -0.14 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.77 1lgb s SER 176 CO 0.04 -0.16 0.03 -0.22 0.41 0.00 0.00 173.24 173.34 1lgb s LEU 177 N 1.63 3.70 -0.18 2.44 0.20 -1.26 -2.33 118.68 122.88 1lgb s LEU 177 Ca -0.01 -0.91 0.00 0.00 0.69 0.00 0.00 54.13 53.91 1lgb s LEU 177 Cb -0.13 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1lgb s LEU 177 CO -0.03 -0.20 -0.17 -0.89 -0.29 0.00 0.00 176.35 174.77 1lgb s THR 178 N 1.39 2.39 -0.46 3.68 2.01 -0.81 -4.99 115.64 118.85 1lgb s THR 178 Ca -0.00 -0.84 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 1lgb s THR 178 Cb -0.18 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.34 1lgb s THR 178 CO -0.00 0.52 0.84 -0.31 -0.69 0.00 0.00 174.62 174.97 1lgb s TYR 179 N 1.19 2.96 0.00 4.92 2.02 -1.26 -1.15 117.35 126.02 1lgb s TYR 179 Ca 0.02 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1lgb s TYR 179 Cb -0.14 -3.79 0.00 0.00 -0.40 0.00 0.00 41.96 37.63 1lgb s TYR 179 CO -0.08 -1.05 0.26 -2.30 -1.57 0.00 0.00 175.55 170.82 1lgb n PRO 180 N 6.91 0.00 0.00 -1.71 -0.02 -1.26 -5.03 135.00 133.89 1lgb n PRO 180 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1lgb n PRO 180 Cb 0.48 -0.46 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 1lgb n PRO 180 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77