#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqo s LEU 2 N 0.00 4.20 0.00 3.17 1.43 -1.26 -4.99 118.68 121.23 1lqo s LEU 2 Ca 0.00 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1lqo s LEU 2 Cb 0.00 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1lqo s LEU 2 CO 0.00 -0.65 0.56 0.35 0.23 0.00 0.00 176.35 176.84 1lqo n THR 3 N 0.09 0.00 -0.31 5.49 -2.24 -1.26 -5.10 114.28 110.96 1lqo n THR 3 Ca 0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1lqo n THR 3 Cb 0.47 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1lqo n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqo n GLY 4 N 0.77 0.85 3.72 3.38 0.00 -1.26 -5.07 105.19 107.58 1lqo n GLY 4 Ca 0.03 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1lqo n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lqo s LEU 5 N 0.00 4.40 -0.24 0.99 2.96 -1.26 -4.95 118.68 120.57 1lqo s LEU 5 Ca 0.00 1.50 -0.10 0.00 -0.22 0.00 0.00 54.13 55.32 1lqo s LEU 5 Cb 0.00 -3.36 -0.16 0.00 0.50 0.00 0.00 46.19 43.17 1lqo s LEU 5 CO 0.00 -0.12 -0.14 -3.20 -1.32 0.00 0.00 176.35 171.57 1lqo n ASN 6 N 3.42 1.97 -3.45 3.68 2.85 -1.26 -5.01 115.26 117.46 1lqo n ASN 6 Ca 0.01 0.19 -0.13 0.00 -0.11 0.00 0.00 54.58 54.55 1lqo n ASN 6 Cb 0.51 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.77 1lqo n ASN 6 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1lqo s HIS 7 N -2.50 -0.54 -0.17 1.20 -3.43 -1.26 -4.41 115.29 104.18 1lqo s HIS 7 Ca -0.34 0.46 -0.02 0.00 -0.80 0.00 0.00 55.06 54.36 1lqo s HIS 7 Cb 0.11 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.78 1lqo s HIS 7 CO 0.57 -0.78 -0.08 -1.17 -2.00 0.00 0.00 174.74 171.28 1lqo s LEU 8 N -2.45 2.84 -0.16 5.38 2.96 -0.40 -5.04 118.68 121.81 1lqo s LEU 8 Ca -0.01 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1lqo s LEU 8 Cb -0.01 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 45.01 1lqo s LEU 8 CO -0.09 0.08 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.94 1lqo s THR 9 N 0.87 2.21 -0.12 3.68 2.01 -1.26 -1.94 115.64 121.08 1lqo s THR 9 Ca -0.02 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1lqo s THR 9 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1lqo s THR 9 CO 0.01 0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.62 1lqo s LEU 10 N 1.03 2.96 0.21 4.42 1.43 -0.47 -5.00 118.68 123.26 1lqo s LEU 10 Ca -0.02 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1lqo s LEU 10 Cb -0.14 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 1lqo s LEU 10 CO -0.06 0.22 1.30 0.00 0.23 0.00 0.00 176.35 178.04 1lqo s ALA 11 N 0.05 3.52 -0.03 4.21 0.00 -1.26 -0.95 121.76 127.30 1lqo s ALA 11 Ca -0.03 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1lqo s ALA 11 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.53 1lqo s ALA 11 CO 0.04 -0.53 -0.01 0.14 0.00 0.00 0.00 175.76 175.39 1lqo s VAL 12 N -0.02 0.24 0.15 0.00 -7.23 -0.78 -4.90 120.40 107.85 1lqo s VAL 12 Ca 0.56 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.76 1lqo s VAL 12 Cb -0.37 -0.31 -0.17 0.00 0.56 0.00 0.00 36.38 36.10 1lqo s VAL 12 CO 0.39 0.15 1.34 0.00 -0.31 0.00 0.00 175.10 176.67 1lqo h ALA 13 N 7.09 0.44 -3.12 1.32 0.00 -1.80 0.74 119.26 123.92 1lqo h ALA 13 Ca -0.41 -0.74 -0.62 0.00 0.00 0.00 0.00 54.91 53.14 1lqo h ALA 13 Cb 1.14 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.47 1lqo h ALA 13 CO 0.48 0.91 -0.70 0.34 0.00 0.00 0.00 179.25 180.29 1lqo s ASP 14 N -6.97 3.90 0.15 0.00 -1.08 -1.26 -4.23 116.67 107.19 1lqo s ASP 14 Ca -0.03 -2.82 -0.21 0.00 -0.52 0.00 0.00 52.55 48.97 1lqo s ASP 14 Cb 0.10 -1.27 0.04 0.00 -1.46 0.00 0.00 42.92 40.33 1lqo s ASP 14 CO 0.84 -0.24 1.65 0.25 0.52 0.00 0.00 175.17 178.18 1lqo h LEU 15 N 6.57 -0.59 -0.76 -1.34 5.85 -1.98 -1.63 115.31 121.43 1lqo h LEU 15 Ca -0.02 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1lqo h LEU 15 Cb 0.91 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1lqo h LEU 15 CO 0.57 -0.22 0.45 -0.65 -0.34 0.00 0.00 178.44 178.24 1lqo h PRO 16 N -0.16 0.79 -0.41 5.25 0.11 -1.99 0.91 132.00 136.50 1lqo h PRO 16 Ca 0.15 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1lqo h PRO 16 Cb 0.39 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 1lqo h PRO 16 CO -0.37 0.53 0.20 0.00 -0.21 0.00 0.00 178.00 178.15 1lqo h ALA 17 N 1.38 0.51 -0.32 -0.75 0.00 -1.94 -1.29 119.26 116.84 1lqo h ALA 17 Ca 0.34 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 1lqo h ALA 17 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1lqo h ALA 17 CO -0.18 -0.15 -0.43 0.77 0.00 0.00 0.00 179.25 179.25 1lqo h SER 18 N 0.41 0.88 -0.26 0.00 0.02 -0.70 -1.89 113.55 112.02 1lqo h SER 18 Ca 0.18 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1lqo h SER 18 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1lqo h SER 18 CO -0.12 1.19 0.16 0.40 -1.14 0.00 0.00 176.83 177.32 1lqo h ILE 19 N 0.66 1.09 -0.52 3.27 2.04 -0.70 -2.39 117.51 120.96 1lqo h ILE 19 Ca 0.04 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1lqo h ILE 19 Cb 1.01 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1lqo h ILE 19 CO 0.10 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.49 1lqo h ALA 20 N 1.06 0.63 0.62 1.87 0.00 -1.06 0.11 119.26 122.49 1lqo h ALA 20 Ca 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1lqo h ALA 20 Cb 0.01 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1lqo h ALA 20 CO -0.02 -0.26 -0.32 0.35 0.00 0.00 0.00 179.25 179.00 1lqo h PHE 21 N 0.31 -0.84 -0.29 0.00 3.57 -1.21 0.22 116.94 118.69 1lqo h PHE 21 Ca 0.26 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1lqo h PHE 21 Cb 0.32 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1lqo h PHE 21 CO -0.19 -0.51 0.01 1.88 -2.23 0.00 0.00 178.31 177.27 1lqo h TYR 22 N -0.87 0.55 0.31 0.41 -1.99 -1.34 -0.52 116.97 113.50 1lqo h TYR 22 Ca -0.08 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1lqo h TYR 22 Cb 0.68 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1lqo h TYR 22 CO -0.05 0.63 -0.15 -0.09 -0.00 0.00 0.00 178.16 178.51 1lqo h ARG 23 N 0.30 -0.40 0.24 4.88 2.43 -0.82 -0.40 114.38 120.62 1lqo h ARG 23 Ca 0.08 0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.95 1lqo h ARG 23 Cb 0.41 0.09 0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1lqo h ARG 23 CO 0.01 -0.15 -1.48 -0.44 -1.51 0.00 0.00 179.97 176.39 1lqo h ASP 24 N -1.05 0.81 0.15 -3.80 3.32 -0.71 -1.61 116.42 113.54 1lqo h ASP 24 Ca -0.04 -0.92 -0.30 0.00 0.02 0.00 0.00 57.03 55.79 1lqo h ASP 24 Cb 0.42 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1lqo h ASP 24 CO 0.07 1.71 -1.48 0.25 -1.72 0.00 0.00 179.24 178.07 1lqo h LEU 25 N 0.11 0.50 0.00 1.55 5.85 -1.09 -3.40 115.31 118.84 1lqo h LEU 25 Ca -0.26 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.56 1lqo h LEU 25 Cb 2.14 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1lqo h LEU 25 CO 0.26 1.67 -1.07 0.18 -0.34 0.00 0.00 178.44 179.13 1lqo n LEU 26 N -3.81 0.60 0.00 2.25 4.77 -0.28 -5.00 117.00 115.53 1lqo n LEU 26 Ca -0.23 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1lqo n LEU 26 Cb 0.97 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1lqo n LEU 26 CO 0.47 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1lqo n GLY 27 N 1.37 0.81 3.79 -0.72 0.00 -0.61 -4.98 105.19 104.86 1lqo n GLY 27 Ca 0.02 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1lqo n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lqo s PHE 28 N -2.00 2.89 -0.17 1.61 0.40 -0.24 -4.96 117.98 115.51 1lqo s PHE 28 Ca 0.00 1.52 -0.13 0.00 -0.60 0.00 0.00 56.93 57.72 1lqo s PHE 28 Cb 0.00 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.43 1lqo s PHE 28 CO 0.00 -1.29 0.26 0.50 0.70 0.00 0.00 175.22 175.40 1lqo s ARG 29 N -4.12 4.24 -0.39 0.44 3.52 -0.38 -4.26 118.95 118.01 1lqo s ARG 29 Ca 0.64 0.03 -0.25 0.00 -0.13 0.00 0.00 55.73 56.02 1lqo s ARG 29 Cb -0.17 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1lqo s ARG 29 CO 0.39 0.23 0.91 -1.17 -0.81 0.00 0.00 175.30 174.85 1lqo s LEU 30 N 0.51 4.01 -0.10 -0.88 2.96 -1.26 -1.31 118.68 122.60 1lqo s LEU 30 Ca 0.15 0.47 0.20 0.00 -0.22 0.00 0.00 54.13 54.73 1lqo s LEU 30 Cb -0.13 -3.23 -0.28 0.00 0.50 0.00 0.00 46.19 43.06 1lqo s LEU 30 CO 0.03 -0.88 0.32 -0.62 -1.32 0.00 0.00 176.35 173.88 1lqo n GLU 31 N 6.81 0.67 -3.56 1.98 -0.58 -0.56 -5.00 120.64 120.40 1lqo n GLU 31 Ca 0.07 -0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1lqo n GLU 31 Cb 0.48 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.75 1lqo n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lqo s ALA 32 N -2.98 -1.89 -0.02 0.62 0.00 -1.11 -4.98 121.76 111.40 1lqo s ALA 32 Ca -0.08 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1lqo s ALA 32 Cb 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1lqo s ALA 32 CO 0.86 -0.33 0.05 0.50 0.00 0.00 0.00 175.76 176.84 1lqo s ARG 33 N -1.15 0.05 0.27 0.00 3.52 -1.26 -0.82 118.95 119.55 1lqo s ARG 33 Ca -0.04 0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.64 1lqo s ARG 33 Cb -0.00 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1lqo s ARG 33 CO 0.04 -0.04 0.30 1.67 -0.81 0.00 0.00 175.30 176.46 1lqo s TRP 34 N 0.22 1.13 0.57 5.12 -2.14 0.50 -5.00 118.94 119.34 1lqo s TRP 34 Ca -0.02 -1.31 0.27 0.00 2.66 0.00 0.00 56.10 57.70 1lqo s TRP 34 Cb -0.02 -0.36 1.53 0.00 -3.10 0.00 0.00 33.47 31.51 1lqo s TRP 34 CO -0.01 -0.86 2.03 -0.44 -2.66 0.00 0.00 176.95 175.02 1lqo h ASP 35 N 2.34 0.00 -0.15 -2.66 3.32 -2.03 -2.44 116.42 114.79 1lqo h ASP 35 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1lqo h ASP 35 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1lqo h ASP 35 CO 0.43 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 1lqo n GLN 36 N -3.98 2.85 -3.26 3.56 1.13 -1.26 -4.97 117.38 111.45 1lqo n GLN 36 Ca 0.05 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.26 1lqo n GLN 36 Cb 0.46 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1lqo n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lqo n GLY 37 N -0.14 -1.48 3.31 1.08 0.00 -0.92 -1.34 105.19 105.70 1lqo n GLY 37 Ca 0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1lqo n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqo s ALA 38 N -1.73 -0.95 -0.10 4.61 0.00 -0.59 -0.37 121.76 122.64 1lqo s ALA 38 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1lqo s ALA 38 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1lqo s ALA 38 CO 0.00 -0.44 -0.21 0.71 0.00 0.00 0.00 175.76 175.82 1lqo s TYR 39 N -2.45 2.37 0.18 0.00 4.12 -0.00 -1.08 117.35 120.49 1lqo s TYR 39 Ca -0.05 -1.03 0.07 0.00 0.02 0.00 0.00 57.07 56.07 1lqo s TYR 39 Cb -0.01 -1.62 -0.05 0.00 -1.52 0.00 0.00 41.96 38.77 1lqo s TYR 39 CO -0.02 -0.45 -0.13 -0.51 0.02 0.00 0.00 175.55 174.46 1lqo s LEU 40 N 0.54 2.54 -0.00 -1.29 1.02 0.31 -1.50 118.68 120.30 1lqo s LEU 40 Ca -0.15 -1.01 0.03 0.00 0.02 0.00 0.00 54.13 53.02 1lqo s LEU 40 Cb -0.17 -0.55 -0.01 0.00 0.02 0.00 0.00 46.19 45.48 1lqo s LEU 40 CO 0.05 -0.22 -0.09 -0.70 0.02 0.00 0.00 176.35 175.40 1lqo s GLU 41 N -3.63 0.73 -0.24 1.70 2.12 -0.43 -0.31 118.70 118.63 1lqo s GLU 41 Ca 0.20 -0.37 -0.04 0.00 0.36 0.00 0.00 54.97 55.12 1lqo s GLU 41 Cb 0.00 -0.69 0.09 0.00 0.26 0.00 0.00 34.13 33.79 1lqo s GLU 41 CO 0.04 0.19 0.15 -1.17 -0.54 0.00 0.00 175.26 173.93 1lqo s LEU 42 N -0.35 0.28 0.00 2.70 2.96 -0.41 -1.25 118.68 122.61 1lqo s LEU 42 Ca 0.03 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1lqo s LEU 42 Cb -0.04 -0.09 0.00 0.00 0.50 0.00 0.00 46.19 46.55 1lqo s LEU 42 CO -0.00 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1lqo n GLY 43 N 5.28 3.52 0.59 7.98 0.00 -1.26 -0.53 105.19 120.76 1lqo n GLY 43 Ca -0.06 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1lqo n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqo n SER 44 N 7.14 1.83 -4.68 1.61 3.41 -1.26 -4.91 113.62 116.77 1lqo n SER 44 Ca 0.00 -1.61 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 1lqo n SER 44 Cb 0.00 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1lqo n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lqo s LEU 45 N -1.99 4.21 -0.38 1.04 2.96 0.31 -5.00 118.68 119.83 1lqo s LEU 45 Ca 0.36 1.46 -0.18 0.00 -0.22 0.00 0.00 54.13 55.55 1lqo s LEU 45 Cb 0.21 -3.51 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1lqo s LEU 45 CO 0.33 -0.48 0.48 0.86 -1.32 0.00 0.00 176.35 176.22 1lqo s TRP 46 N 2.24 3.16 -0.09 5.38 -0.00 -1.26 -1.29 118.94 127.08 1lqo s TRP 46 Ca 0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.10 56.47 1lqo s TRP 46 Cb -0.17 -2.93 -0.03 0.00 -0.00 0.00 0.00 33.47 30.33 1lqo s TRP 46 CO 0.15 -0.62 0.01 -1.17 -0.00 0.00 0.00 176.95 175.32 1lqo s LEU 47 N 2.31 3.61 -0.03 5.86 2.96 0.58 -1.27 118.68 132.69 1lqo s LEU 47 Ca 0.16 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1lqo s LEU 47 Cb -0.16 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1lqo s LEU 47 CO 0.14 0.37 -0.09 0.00 -1.32 0.00 0.00 176.35 175.45 1lqo s LEU 49 N 0.29 3.09 -0.29 0.00 1.43 -0.24 -1.37 118.68 121.60 1lqo s LEU 49 Ca -0.05 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1lqo s LEU 49 Cb -0.10 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.41 1lqo s LEU 49 CO 0.01 0.10 -0.02 -0.55 0.23 0.00 0.00 176.35 176.12 1lqo s SER 50 N 0.77 4.77 0.20 2.29 0.15 -0.12 -1.54 113.70 120.23 1lqo s SER 50 Ca -0.02 -1.24 -0.32 0.00 0.70 0.00 0.00 55.95 55.08 1lqo s SER 50 Cb -0.15 -1.69 -0.11 0.00 -1.71 0.00 0.00 66.02 62.36 1lqo s SER 50 CO 0.02 -0.24 1.67 -0.60 1.20 0.00 0.00 173.24 175.29 1lqo s ARG 51 N 1.24 4.15 -0.49 5.44 3.52 -0.45 -1.86 118.95 130.50 1lqo s ARG 51 Ca -0.05 2.54 0.06 0.00 -0.13 0.00 0.00 55.73 58.15 1lqo s ARG 51 Cb -0.19 -3.09 0.23 0.00 -1.56 0.00 0.00 34.95 30.33 1lqo s ARG 51 CO -0.02 -0.70 0.81 -1.91 -0.81 0.00 0.00 175.30 172.67 1lqo n GLU 52 N 3.84 0.70 0.00 5.12 2.13 0.25 -4.88 120.64 127.80 1lqo n GLU 52 Ca 0.15 -1.95 0.00 0.00 0.66 0.00 0.00 57.16 56.02 1lqo n GLU 52 Cb 0.36 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1lqo n GLU 52 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1lqo n PRO 53 N 1.97 0.00 0.00 5.31 -0.02 -1.26 -1.04 135.00 139.96 1lqo n PRO 53 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1lqo n PRO 53 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1lqo n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lqo n GLN 54 N 0.00 0.00 -1.94 -0.52 6.02 -1.26 -4.54 117.38 115.13 1lqo n GLN 54 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1lqo n GLN 54 Cb 0.00 -0.94 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 1lqo n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1lqo s TYR 55 N -0.87 2.76 -1.37 1.08 5.04 -0.20 -4.91 117.35 118.87 1lqo s TYR 55 Ca 0.00 0.49 0.17 0.00 -2.44 0.00 0.00 57.07 55.29 1lqo s TYR 55 Cb 0.00 -3.93 0.51 0.00 0.35 0.00 0.00 41.96 38.89 1lqo s TYR 55 CO 0.00 -3.58 1.43 0.41 -1.34 0.00 0.00 175.55 172.46 1lqo n GLY 56 N 3.86 2.70 0.00 8.97 0.00 -1.26 -4.64 105.19 114.82 1lqo n GLY 56 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1lqo n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqo n GLY 57 N 1.04 -0.64 3.83 -0.02 0.00 -1.26 -4.97 105.19 103.17 1lqo n GLY 57 Ca 0.19 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1lqo n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lqo s PRO 58 N -1.71 2.94 0.92 1.61 0.05 -1.26 -5.03 135.00 132.52 1lqo s PRO 58 Ca 0.00 0.84 -0.12 0.00 0.05 0.00 0.00 61.00 61.77 1lqo s PRO 58 Cb 0.00 -2.00 0.14 0.00 0.05 0.00 0.00 34.50 32.69 1lqo s PRO 58 CO 0.00 -1.06 1.10 0.00 0.05 0.00 0.00 177.00 177.08 1lqo s ALA 59 N -3.11 1.45 -0.88 8.56 0.00 -1.26 -4.94 121.76 121.59 1lqo s ALA 59 Ca 0.58 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 1lqo s ALA 59 Cb -0.13 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.90 1lqo s ALA 59 CO 0.54 -2.43 1.26 0.00 0.00 0.00 0.00 175.76 175.13 1lqo s ALA 60 N -2.98 2.94 0.12 0.00 0.00 -1.26 -4.92 121.76 115.66 1lqo s ALA 60 Ca 0.64 -2.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1lqo s ALA 60 Cb -0.18 -4.25 0.01 0.00 0.00 0.00 0.00 23.12 18.71 1lqo s ALA 60 CO 0.57 -3.26 0.20 -0.40 0.00 0.00 0.00 175.76 172.87 1lqo n ASP 61 N 8.26 -0.57 -0.00 0.00 5.68 -1.26 -5.06 116.55 123.60 1lqo n ASP 61 Ca 0.18 -1.60 0.13 0.00 -0.50 0.00 0.00 54.79 53.00 1lqo n ASP 61 Cb 0.49 1.01 0.52 0.00 -1.14 0.00 0.00 41.12 42.00 1lqo n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lqo n TYR 62 N -0.19 0.00 -1.67 2.11 -0.00 -1.26 -4.90 117.16 111.26 1lqo n TYR 62 Ca -0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 57.90 57.42 1lqo n TYR 62 Cb 0.20 -0.41 -0.05 0.00 -0.00 0.00 0.00 39.34 39.08 1lqo n TYR 62 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1lqo n THR 63 N -1.47 0.18 -3.86 2.97 -1.04 -1.26 -4.96 114.28 104.84 1lqo n THR 63 Ca 0.07 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.96 1lqo n THR 63 Cb 0.33 -1.58 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 1lqo n THR 63 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1lqo s HIS 64 N 1.86 0.06 -0.17 -1.42 -3.43 -1.26 -4.52 115.29 106.41 1lqo s HIS 64 Ca 0.84 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 1lqo s HIS 64 Cb -0.71 0.36 0.03 0.00 -1.43 0.00 0.00 32.58 30.83 1lqo s HIS 64 CO 0.43 -0.99 -0.11 0.71 -2.00 0.00 0.00 174.74 172.78 1lqo s TYR 65 N -3.94 2.18 -0.12 0.38 1.51 -0.78 -5.04 117.35 111.54 1lqo s TYR 65 Ca 0.14 -1.33 -0.03 0.00 -1.01 0.00 0.00 57.07 54.85 1lqo s TYR 65 Cb -0.02 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1lqo s TYR 65 CO 0.03 -0.69 -0.02 0.00 -1.11 0.00 0.00 175.55 173.77 1lqo s ALA 66 N 1.48 3.14 0.03 3.71 0.00 -1.26 -1.19 121.76 127.67 1lqo s ALA 66 Ca 0.02 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1lqo s ALA 66 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1lqo s ALA 66 CO -0.09 0.40 -0.04 -0.06 0.00 0.00 0.00 175.76 175.97 1lqo s PHE 67 N -0.27 2.95 0.61 0.00 0.40 0.78 -4.94 117.98 117.51 1lqo s PHE 67 Ca 0.05 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.22 1lqo s PHE 67 Cb -0.12 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1lqo s PHE 67 CO 0.02 0.43 1.05 0.20 0.70 0.00 0.00 175.22 177.62 1lqo s GLY 68 N -1.75 1.96 -0.07 4.36 0.00 -1.26 -1.36 107.32 109.21 1lqo s GLY 68 Ca 0.20 0.25 -0.24 0.00 0.00 0.00 0.00 44.72 44.94 1lqo s GLY 68 CO 0.11 0.56 0.55 -1.50 0.00 0.00 0.00 173.10 172.82 1lqo s ILE 69 N -2.68 0.02 0.42 0.90 2.07 -1.02 -4.78 121.20 116.13 1lqo s ILE 69 Ca 0.61 -0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 59.49 1lqo s ILE 69 Cb -0.14 -0.84 -0.11 0.00 0.13 0.00 0.00 42.46 41.50 1lqo s ILE 69 CO 0.42 -0.08 0.96 0.00 -1.91 0.00 0.00 174.94 174.33 1lqo s ALA 70 N -0.93 3.04 0.33 1.50 0.00 -1.26 -4.20 121.76 120.24 1lqo s ALA 70 Ca -0.10 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1lqo s ALA 70 Cb -0.02 -3.17 0.76 0.00 0.00 0.00 0.00 23.12 20.68 1lqo s ALA 70 CO 0.06 0.08 1.83 0.00 0.00 0.00 0.00 175.76 177.73 1lqo h ALA 71 N 2.05 1.75 0.00 0.00 0.00 -1.98 -0.44 119.26 120.63 1lqo h ALA 71 Ca -0.49 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1lqo h ALA 71 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lqo h ALA 71 CO 0.61 -0.04 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 1lqo h ALA 72 N 1.60 1.09 -0.00 0.00 0.00 -2.05 -2.91 119.26 116.98 1lqo h ALA 72 Ca 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1lqo h ALA 72 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1lqo h ALA 72 CO -0.27 0.17 -0.75 -0.25 0.00 0.00 0.00 179.25 178.14 1lqo n ASP 73 N -3.38 1.10 0.25 0.00 8.00 -0.19 -4.72 116.55 117.61 1lqo n ASP 73 Ca -0.01 -0.95 -0.17 0.00 0.71 0.00 0.00 54.79 54.38 1lqo n ASP 73 Cb 0.33 0.70 -0.09 0.00 -0.02 0.00 0.00 41.12 42.04 1lqo n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1lqo h PHE 74 N 0.55 -1.17 -0.87 1.24 3.57 -1.31 -2.22 116.94 116.74 1lqo h PHE 74 Ca 0.00 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1lqo h PHE 74 Cb 0.55 0.46 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 1lqo h PHE 74 CO 0.00 -0.58 0.49 0.00 -2.23 0.00 0.00 178.31 175.99 1lqo h ALA 75 N -0.53 1.28 -0.10 2.41 0.00 -1.84 0.28 119.26 120.77 1lqo h ALA 75 Ca -0.04 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1lqo h ALA 75 Cb 0.76 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lqo h ALA 75 CO -0.08 0.06 -0.72 0.07 0.00 0.00 0.00 179.25 178.58 1lqo h ARG 76 N 0.77 0.47 0.37 0.00 0.11 -1.85 0.35 114.38 114.60 1lqo h ARG 76 Ca 0.44 -0.38 -0.02 0.00 0.10 0.00 0.00 59.98 60.13 1lqo h ARG 76 Cb 0.49 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1lqo h ARG 76 CO -0.29 1.01 -0.18 0.35 0.10 0.00 0.00 179.97 180.96 1lqo h PHE 77 N 0.32 -0.46 -0.50 4.08 3.57 -0.64 0.59 116.94 123.91 1lqo h PHE 77 Ca -0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1lqo h PHE 77 Cb 1.30 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1lqo h PHE 77 CO 0.05 -0.22 0.23 0.00 -2.23 0.00 0.00 178.31 176.13 1lqo h ALA 78 N 0.00 0.63 -0.89 2.41 0.00 -0.86 -1.40 119.26 119.16 1lqo h ALA 78 Ca -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1lqo h ALA 78 Cb 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1lqo h ALA 78 CO 0.08 -0.14 0.49 0.00 0.00 0.00 0.00 179.25 179.69 1lqo h ALA 79 N 1.29 1.13 -0.34 0.00 0.00 -0.78 -1.57 119.26 118.99 1lqo h ALA 79 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1lqo h ALA 79 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1lqo h ALA 79 CO -0.19 0.63 0.02 0.37 0.00 0.00 0.00 179.25 180.09 1lqo h GLN 80 N 1.24 0.59 -0.26 0.00 4.15 -0.09 -0.57 115.11 120.17 1lqo h GLN 80 Ca 0.31 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1lqo h GLN 80 Cb 0.01 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1lqo h GLN 80 CO -0.05 0.69 -0.29 -0.07 -1.93 0.00 0.00 178.83 177.19 1lqo h LEU 81 N 0.41 0.70 -0.84 -2.39 4.07 -1.12 -0.89 115.31 115.24 1lqo h LEU 81 Ca 0.10 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.64 1lqo h LEU 81 Cb 0.41 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.89 1lqo h LEU 81 CO 0.01 1.04 0.52 0.03 -1.08 0.00 0.00 178.44 178.96 1lqo h ARG 82 N 0.37 0.91 -0.07 1.13 3.08 -1.18 -1.72 114.38 116.91 1lqo h ARG 82 Ca 0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1lqo h ARG 82 Cb 0.86 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1lqo h ARG 82 CO 0.07 0.60 -0.27 0.00 -1.07 0.00 0.00 179.97 179.30 1lqo h ALA 83 N 1.41 1.43 0.00 0.04 0.00 -0.62 -1.33 119.26 120.19 1lqo h ALA 83 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lqo h ALA 83 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1lqo h ALA 83 CO -0.18 0.41 0.00 0.72 0.00 0.00 0.00 179.25 180.20 1lqo n HIS 84 N -4.18 0.00 -0.81 0.00 8.25 -0.38 -4.92 115.22 113.18 1lqo n HIS 84 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1lqo n HIS 84 Cb 0.35 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1lqo n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lqo n GLY 85 N 1.05 0.53 3.76 -1.41 0.00 -0.50 -5.03 105.19 103.59 1lqo n GLY 85 Ca 0.18 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1lqo n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqo s VAL 86 N -2.00 2.09 -0.10 1.61 1.01 -1.01 -4.97 120.40 117.03 1lqo s VAL 86 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1lqo s VAL 86 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1lqo s VAL 86 CO 0.00 0.00 0.27 -0.60 0.00 0.00 0.00 175.10 174.78 1lqo s ARG 87 N -2.69 3.89 0.20 2.72 3.52 -1.26 -4.77 118.95 120.55 1lqo s ARG 87 Ca 0.66 0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 56.32 1lqo s ARG 87 Cb -0.42 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1lqo s ARG 87 CO 0.51 0.55 0.45 -1.21 -0.81 0.00 0.00 175.30 174.80 1lqo s GLU 88 N -0.49 3.64 0.00 5.12 2.02 -1.26 -0.78 118.70 126.95 1lqo s GLU 88 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1lqo s GLU 88 Cb -0.14 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1lqo s GLU 88 CO 0.07 0.38 0.25 -2.67 0.02 0.00 0.00 175.26 173.30 1lqo n TRP 89 N -0.25 0.00 -3.56 1.61 4.27 -0.91 -4.91 117.44 113.69 1lqo n TRP 89 Ca -0.02 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.45 1lqo n TRP 89 Cb 0.53 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.42 1lqo n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1lqo s LYS 90 N -0.42 0.81 -0.09 -2.67 2.20 -1.26 -5.07 119.74 113.25 1lqo s LYS 90 Ca 0.00 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.86 1lqo s LYS 90 Cb 0.00 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1lqo s LYS 90 CO 0.00 -0.24 0.02 -1.14 -0.36 0.00 0.00 175.35 173.63 1lqo s GLN 91 N -0.97 3.03 0.06 4.03 0.74 -1.26 -4.35 119.66 120.94 1lqo s GLN 91 Ca -0.05 -0.38 -0.31 0.00 0.05 0.00 0.00 55.36 54.67 1lqo s GLN 91 Cb -0.01 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.21 1lqo s GLN 91 CO 0.05 0.71 1.22 1.21 -0.55 0.00 0.00 175.29 177.93 1lqo s ASN 92 N -0.92 7.05 0.00 6.67 2.47 -1.26 -4.90 114.94 124.05 1lqo s ASN 92 Ca 0.14 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.45 1lqo s ASN 92 Cb -0.11 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1lqo s ASN 92 CO 0.03 -0.50 0.13 0.54 -3.72 0.00 0.00 177.10 173.58 1lqo n ARG 93 N 4.04 0.77 -4.20 0.43 1.74 -1.26 -5.08 116.66 113.09 1lqo n ARG 93 Ca 0.09 -0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 1lqo n ARG 93 Cb 0.46 -0.53 -0.07 0.00 -1.02 0.00 0.00 32.46 31.30 1lqo n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lqo s SER 94 N -0.15 4.47 0.33 0.55 1.04 -1.26 -5.08 113.70 113.60 1lqo s SER 94 Ca 0.00 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.29 1lqo s SER 94 Cb 0.00 -0.64 -0.13 0.00 0.10 0.00 0.00 66.02 65.35 1lqo s SER 94 CO 0.00 -0.28 0.98 1.21 0.98 0.00 0.00 173.24 176.13 1lqo n GLU 95 N -1.07 1.32 -0.80 4.02 0.00 -1.26 -4.70 120.64 118.15 1lqo n GLU 95 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1lqo n GLU 95 Cb 0.62 -1.88 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1lqo n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lqo n GLY 96 N 1.24 -3.71 3.64 8.31 0.00 -1.26 -4.92 105.19 108.48 1lqo n GLY 96 Ca 0.09 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 1lqo n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqo n ASP 97 N -1.25 2.05 -3.76 1.61 8.00 -1.26 -4.74 116.55 117.20 1lqo n ASP 97 Ca 0.00 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.56 1lqo n ASP 97 Cb 0.07 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.67 1lqo n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1lqo s SER 98 N -0.40 -0.35 -0.13 -2.24 0.01 -1.26 -0.85 113.70 108.48 1lqo s SER 98 Ca 0.58 0.67 0.01 0.00 1.31 0.00 0.00 55.95 58.51 1lqo s SER 98 Cb -0.64 0.66 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1lqo s SER 98 CO 0.61 -0.12 -0.16 0.12 0.41 0.00 0.00 173.24 174.10 1lqo s PHE 99 N 0.27 2.18 -0.34 2.43 5.36 -0.51 -4.59 117.98 122.78 1lqo s PHE 99 Ca -0.01 -1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 54.79 1lqo s PHE 99 Cb -0.03 -1.57 0.06 0.00 -0.34 0.00 0.00 43.02 41.14 1lqo s PHE 99 CO -0.00 -0.59 0.08 0.71 -1.46 0.00 0.00 175.22 173.95 1lqo s TYR 100 N 1.19 3.33 0.11 10.12 1.51 -1.26 -0.95 117.35 131.40 1lqo s TYR 100 Ca -0.01 -1.86 0.03 0.00 -1.01 0.00 0.00 57.07 54.22 1lqo s TYR 100 Cb -0.14 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1lqo s TYR 100 CO -0.06 -0.82 -0.08 -0.59 -1.11 0.00 0.00 175.55 172.89 1lqo s PHE 101 N 1.27 1.01 0.01 2.71 -0.12 -0.25 -2.15 117.98 120.47 1lqo s PHE 101 Ca -0.01 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.02 1lqo s PHE 101 Cb -0.20 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1lqo s PHE 101 CO -0.01 -0.06 0.18 -0.51 -0.05 0.00 0.00 175.22 174.77 1lqo s LEU 102 N -2.99 4.31 0.73 -1.99 1.43 0.04 -0.33 118.68 119.89 1lqo s LEU 102 Ca 0.12 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1lqo s LEU 102 Cb 0.03 -2.65 0.12 0.00 0.03 0.00 0.00 46.19 43.73 1lqo s LEU 102 CO -0.03 0.24 1.00 1.51 0.23 0.00 0.00 176.35 179.31 1lqo s ASP 103 N -2.04 4.35 0.47 2.29 -4.77 -0.89 -4.55 116.67 111.53 1lqo s ASP 103 Ca 0.28 -0.24 0.23 0.00 -3.30 0.00 0.00 52.55 49.52 1lqo s ASP 103 Cb -0.13 -0.17 1.25 0.00 -1.09 0.00 0.00 42.92 42.79 1lqo s ASP 103 CO 0.20 -1.86 1.90 -0.65 0.70 0.00 0.00 175.17 175.46 1lqo h PRO 104 N -0.57 0.21 -0.01 2.11 0.11 -1.93 -1.00 132.00 130.92 1lqo h PRO 104 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1lqo h PRO 104 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lqo h PRO 104 CO 0.42 0.14 -0.17 -0.25 -0.21 0.00 0.00 178.00 177.93 1lqo n ASP 105 N -4.41 1.34 0.00 -2.05 8.00 -1.26 -4.94 116.55 113.23 1lqo n ASP 105 Ca 0.17 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1lqo n ASP 105 Cb 0.74 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1lqo n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lqo n GLY 106 N 1.29 0.73 3.77 0.44 0.00 -0.38 -4.21 105.19 106.83 1lqo n GLY 106 Ca 0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1lqo n GLY 106 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lqo s HIS 107 N -2.00 2.79 -0.28 1.61 3.76 -1.26 -4.64 115.29 115.28 1lqo s HIS 107 Ca 0.00 1.12 -0.22 0.00 -0.15 0.00 0.00 55.06 55.80 1lqo s HIS 107 Cb 0.00 -3.92 -0.01 0.00 1.11 0.00 0.00 32.58 29.76 1lqo s HIS 107 CO 0.00 -2.82 0.72 1.03 -0.85 0.00 0.00 174.74 172.82 1lqo s ARG 108 N -1.40 4.03 0.36 1.40 0.52 -1.26 -2.10 118.95 120.50 1lqo s ARG 108 Ca 0.55 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 56.42 1lqo s ARG 108 Cb -0.45 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.29 1lqo s ARG 108 CO 0.54 -0.56 0.18 -0.51 0.02 0.00 0.00 175.30 174.97 1lqo s LEU 109 N 2.74 3.26 -0.13 2.53 1.43 0.56 -1.87 118.68 127.20 1lqo s LEU 109 Ca 0.30 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 1lqo s LEU 109 Cb -0.15 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1lqo s LEU 109 CO 0.10 -0.38 0.33 -0.70 0.23 0.00 0.00 176.35 175.94 1lqo s GLU 110 N -3.89 0.39 -0.22 1.70 2.12 -0.33 -1.09 118.70 117.39 1lqo s GLU 110 Ca 0.39 0.47 -0.05 0.00 0.36 0.00 0.00 54.97 56.14 1lqo s GLU 110 Cb -0.01 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1lqo s GLU 110 CO 0.23 -0.05 -0.01 0.00 -0.54 0.00 0.00 175.26 174.90 1lqo s ALA 111 N 0.20 2.96 -0.04 6.30 0.00 -0.13 -0.16 121.76 130.90 1lqo s ALA 111 Ca -0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1lqo s ALA 111 Cb -0.02 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 1lqo s ALA 111 CO 0.00 -0.31 -0.15 -1.58 0.00 0.00 0.00 175.76 173.72 1lqo s HIS 112 N 1.29 1.46 -0.28 0.00 5.04 -0.46 -1.43 115.29 120.91 1lqo s HIS 112 Ca 0.04 -0.40 -0.12 0.00 -1.54 0.00 0.00 55.06 53.04 1lqo s HIS 112 Cb -0.15 -0.99 -0.05 0.00 0.04 0.00 0.00 32.58 31.43 1lqo s HIS 112 CO 0.00 -0.14 0.25 0.08 -2.34 0.00 0.00 174.74 172.59 1lqo s VAL 113 N 0.07 5.27 0.00 0.89 1.01 -0.03 -2.43 120.40 125.18 1lqo s VAL 113 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1lqo s VAL 113 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1lqo s VAL 113 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1lqo n GLY 114 N 4.93 2.22 0.60 4.51 0.00 -1.26 -4.12 105.19 112.06 1lqo n GLY 114 Ca -0.12 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1lqo n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lqo n ASP 115 N 0.00 -0.24 0.15 1.61 3.85 -1.26 -4.96 116.55 115.70 1lqo n ASP 115 Ca 0.00 -1.34 -0.14 0.00 -0.71 0.00 0.00 54.79 52.60 1lqo n ASP 115 Cb 0.00 0.44 -0.08 0.00 -1.35 0.00 0.00 41.12 40.14 1lqo n ASP 115 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1lqo h LEU 116 N 0.00 -0.25 -1.46 -2.12 5.85 -2.01 -1.90 115.31 113.42 1lqo h LEU 116 Ca -0.05 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1lqo h LEU 116 Cb 0.21 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1lqo h LEU 116 CO 0.07 -0.17 0.45 0.03 -0.34 0.00 0.00 178.44 178.47 1lqo h ARG 117 N -0.31 0.62 0.03 1.25 2.47 -1.99 0.47 114.38 116.93 1lqo h ARG 117 Ca -0.03 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 58.43 1lqo h ARG 117 Cb 0.24 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1lqo h ARG 117 CO 0.05 0.41 -1.00 0.66 0.56 0.00 0.00 179.97 180.66 1lqo h SER 118 N 0.64 0.21 -0.51 7.04 4.64 -1.92 -2.31 113.55 121.34 1lqo h SER 118 Ca 0.30 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 1lqo h SER 118 Cb 0.34 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1lqo h SER 118 CO -0.10 1.08 -0.15 -0.09 -0.87 0.00 0.00 176.83 176.70 1lqo h ARG 119 N 0.06 1.00 -0.54 4.77 9.65 -0.35 -2.32 114.38 126.67 1lqo h ARG 119 Ca -0.05 -0.40 -0.10 0.00 -1.10 0.00 0.00 59.98 58.33 1lqo h ARG 119 Cb 1.69 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 30.20 1lqo h ARG 119 CO 0.15 1.08 -0.06 -0.07 2.80 0.00 0.00 179.97 183.87 1lqo h LEU 120 N 0.87 0.98 -0.29 3.80 3.38 -0.93 -0.73 115.31 122.40 1lqo h LEU 120 Ca 0.13 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1lqo h LEU 120 Cb 0.72 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1lqo h LEU 120 CO 0.06 1.08 0.18 0.00 0.09 0.00 0.00 178.44 179.84 1lqo h ALA 121 N 0.93 0.36 -0.13 1.53 0.00 -1.28 -0.85 119.26 119.83 1lqo h ALA 121 Ca 0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1lqo h ALA 121 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lqo h ALA 121 CO 0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 179.25 178.85 1lqo h ALA 122 N 1.07 1.25 -0.33 0.00 0.00 -1.20 -2.68 119.26 117.36 1lqo h ALA 122 Ca 0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1lqo h ALA 122 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1lqo h ALA 122 CO -0.02 0.51 -0.29 0.00 0.00 0.00 0.00 179.25 179.45 1lqo h ARG 124 N 0.60 0.00 0.09 0.00 3.08 -0.81 -2.24 114.38 115.10 1lqo h ARG 124 Ca 0.07 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.77 1lqo h ARG 124 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1lqo h ARG 124 CO 0.06 0.01 -1.96 1.04 -1.07 0.00 0.00 179.97 178.06 1lqo n GLN 125 N -3.29 0.72 -3.47 0.04 1.13 -1.07 -4.74 117.38 106.70 1lqo n GLN 125 Ca -0.03 0.26 -0.27 0.00 -1.94 0.00 0.00 57.00 55.03 1lqo n GLN 125 Cb 0.11 -1.72 -0.10 0.00 0.11 0.00 0.00 30.24 28.64 1lqo n GLN 125 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lqo n ALA 126 N -2.90 2.99 -1.88 -1.58 0.00 -0.87 -5.11 120.51 111.16 1lqo n ALA 126 Ca -0.29 -3.54 -0.41 0.00 0.00 0.00 0.00 53.44 49.20 1lqo n ALA 126 Cb 1.05 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.65 1lqo n ALA 126 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1lqo s PRO 127 N -0.58 4.25 0.75 0.00 0.02 -1.05 -4.63 135.00 133.75 1lqo s PRO 127 Ca 0.32 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 1lqo s PRO 127 Cb 0.05 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.51 1lqo s PRO 127 CO -0.17 -0.46 1.14 0.71 -0.33 0.00 0.00 177.00 177.89 1lqo s TYR 128 N 0.13 2.28 -0.34 6.54 4.12 -1.26 -4.80 117.35 124.01 1lqo s TYR 128 Ca 0.61 1.61 -0.36 0.00 0.02 0.00 0.00 57.07 58.94 1lqo s TYR 128 Cb -0.42 -3.26 -0.12 0.00 -1.52 0.00 0.00 41.96 36.63 1lqo s TYR 128 CO 0.42 -2.16 2.13 0.00 0.02 0.00 0.00 175.55 175.96 1lqo n ALA 129 N -3.06 0.89 -2.31 3.71 0.00 -1.26 -2.16 120.51 116.32 1lqo n ALA 129 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1lqo n ALA 129 Cb 0.52 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1lqo n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqo n GLY 130 N 6.33 0.62 3.70 0.00 0.00 -1.26 -5.02 105.19 109.56 1lqo n GLY 130 Ca 0.40 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1lqo n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lqo s MET 131 N -4.60 4.36 -0.05 1.61 1.75 -0.92 -5.04 119.30 116.42 1lqo s MET 131 Ca 0.02 1.81 0.04 0.00 -1.25 0.00 0.00 55.69 56.31 1lqo s MET 131 Cb -0.01 -3.46 -0.02 0.00 2.84 0.00 0.00 34.83 34.18 1lqo s MET 131 CO 0.02 -0.40 -0.17 1.03 -0.65 0.00 0.00 175.02 174.85 1lqo s ARG 132 N 1.73 2.48 0.06 4.11 1.81 -1.26 -5.04 118.95 122.84 1lqo s ARG 132 Ca 0.59 -0.75 0.06 0.00 -1.72 0.00 0.00 55.73 53.92 1lqo s ARG 132 Cb -0.29 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 1lqo s ARG 132 CO 0.26 0.58 -0.11 -0.06 -0.68 0.00 0.00 175.30 175.29 1lqo s PHE 133 N -0.62 2.74 0.00 -0.53 0.40 -1.26 -5.22 117.98 113.49 1lqo s PHE 133 Ca 0.09 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1lqo s PHE 133 Cb -0.11 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1lqo s PHE 133 CO 0.01 0.37 0.00 0.00 0.70 0.00 0.00 175.22 176.29