#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxj n PHE 5 N 0.00 1.82 -3.82 0.66 7.35 -1.26 -5.01 117.46 117.19 1nxj n PHE 5 Ca 0.00 0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 57.01 1nxj n PHE 5 Cb 0.00 -2.29 -0.12 0.00 0.35 0.00 0.00 39.48 37.42 1nxj n PHE 5 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1nxj s ARG 6 N -2.81 0.19 0.32 -4.13 0.52 -1.26 -5.09 118.95 106.68 1nxj s ARG 6 Ca 0.73 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.83 1nxj s ARG 6 Cb -0.43 0.09 -0.13 0.00 0.52 0.00 0.00 34.95 35.01 1nxj s ARG 6 CO 0.49 -0.02 1.28 -2.30 0.02 0.00 0.00 175.30 174.77 1nxj n PRO 7 N 2.93 2.04 -0.06 3.54 -0.02 -1.26 -4.82 135.00 137.35 1nxj n PRO 7 Ca -0.13 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1nxj n PRO 7 Cb 0.59 -2.29 0.47 0.00 -0.02 0.00 0.00 33.50 32.25 1nxj n PRO 7 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1nxj h THR 8 N 2.58 0.96 -0.58 3.45 1.35 -1.93 -1.08 112.91 117.67 1nxj h THR 8 Ca -0.45 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 1nxj h THR 8 Cb 1.29 0.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 1nxj h THR 8 CO 0.65 0.08 0.15 0.00 -0.25 0.00 0.00 175.52 176.15 1nxj h ALA 9 N 1.71 1.19 -0.37 6.62 0.00 -2.00 -1.12 119.26 125.29 1nxj h ALA 9 Ca 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1nxj h ALA 9 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nxj h ALA 9 CO -0.06 0.56 -0.18 -0.44 0.00 0.00 0.00 179.25 179.13 1nxj h ASP 10 N 0.85 0.80 -0.68 0.00 5.19 -1.57 -1.83 116.42 119.18 1nxj h ASP 10 Ca 0.19 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1nxj h ASP 10 Cb 0.29 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 1nxj h ASP 10 CO -0.00 1.02 0.40 -0.07 -3.12 0.00 0.00 179.24 177.47 1nxj h LEU 11 N 0.57 0.82 -0.58 1.55 3.38 -1.05 -1.86 115.31 118.14 1nxj h LEU 11 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nxj h LEU 11 Cb 0.72 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1nxj h LEU 11 CO 0.05 0.65 0.34 0.58 0.09 0.00 0.00 178.44 180.15 1nxj h VAL 12 N 0.92 1.18 -0.87 1.22 2.07 -1.08 0.14 116.25 119.83 1nxj h VAL 12 Ca 0.24 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1nxj h VAL 12 Cb -0.02 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1nxj h VAL 12 CO -0.04 0.19 0.56 0.44 0.02 0.00 0.00 177.57 178.73 1nxj h ASP 13 N 0.79 0.91 -0.01 0.57 3.32 -0.83 -1.08 116.42 120.08 1nxj h ASP 13 Ca 0.21 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 1nxj h ASP 13 Cb -0.00 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1nxj h ASP 13 CO -0.04 0.61 -0.71 0.44 -1.72 0.00 0.00 179.24 177.82 1nxj h ASP 14 N 1.06 0.64 -0.26 6.45 3.32 -0.89 -3.36 116.42 123.38 1nxj h ASP 14 Ca 0.36 -0.75 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 1nxj h ASP 14 Cb 0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1nxj h ASP 14 CO -0.14 1.30 -0.35 0.40 -1.72 0.00 0.00 179.24 178.74 1nxj h ILE 15 N 0.04 1.31 0.00 0.35 2.04 -0.60 -3.50 117.51 117.15 1nxj h ILE 15 Ca -0.09 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1nxj h ILE 15 Cb 1.40 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1nxj h ILE 15 CO 0.14 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1nxj n GLY 16 N 0.26 -2.12 0.40 5.37 0.00 -0.42 -4.70 105.19 103.99 1nxj n GLY 16 Ca -0.05 -2.17 0.22 0.00 0.00 0.00 0.00 46.02 44.02 1nxj n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nxj h PRO 17 N 2.99 0.00 -0.60 1.61 0.11 -1.95 -1.71 132.00 132.45 1nxj h PRO 17 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nxj h PRO 17 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nxj h PRO 17 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 1nxj n ASP 18 N -3.88 3.39 -4.68 -2.05 8.00 -1.26 -4.96 116.55 111.10 1nxj n ASP 18 Ca 0.10 -2.27 -0.40 0.00 0.71 0.00 0.00 54.79 52.93 1nxj n ASP 18 Cb 0.70 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1nxj n ASP 18 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1nxj n VAL 19 N 0.76 2.84 -2.97 2.53 3.14 -0.65 -4.89 118.33 119.10 1nxj n VAL 19 Ca 0.18 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.62 1nxj n VAL 19 Cb 0.63 -1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 31.93 1nxj n VAL 19 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1nxj s ARG 20 N -2.33 3.61 -0.18 1.45 0.52 -1.26 -5.00 118.95 115.76 1nxj s ARG 20 Ca 0.65 -1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 53.96 1nxj s ARG 20 Cb -0.49 -4.87 -0.02 0.00 0.52 0.00 0.00 34.95 30.08 1nxj s ARG 20 CO 0.55 -1.72 -0.02 0.45 0.02 0.00 0.00 175.30 174.58 1nxj s SER 21 N 3.46 4.73 -0.03 0.23 0.15 -1.26 -1.83 113.70 119.16 1nxj s SER 21 Ca 0.31 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 1nxj s SER 21 Cb -0.05 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1nxj s SER 21 CO -0.09 0.10 1.22 0.00 1.20 0.00 0.00 173.24 175.66 1nxj h ASP 23 N 7.35 0.00 -2.72 0.00 3.32 -1.35 -3.40 116.42 119.62 1nxj h ASP 23 Ca -0.36 -0.13 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 1nxj h ASP 23 Cb 1.17 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.75 1nxj h ASP 23 CO 0.87 0.06 0.97 -0.22 -1.72 0.00 0.00 179.24 179.20 1nxj s LEU 24 N -4.60 4.37 -0.20 1.55 2.96 -1.26 -4.96 118.68 116.53 1nxj s LEU 24 Ca 0.06 2.51 -0.27 0.00 -0.22 0.00 0.00 54.13 56.21 1nxj s LEU 24 Cb 0.12 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 1nxj s LEU 24 CO 0.70 -0.87 0.94 -1.10 -1.32 0.00 0.00 176.35 174.70 1nxj s GLN 25 N 2.31 4.27 0.22 1.98 -1.52 -1.26 -4.98 119.66 120.67 1nxj s GLN 25 Ca 0.73 1.18 0.09 0.00 -1.95 0.00 0.00 55.36 55.41 1nxj s GLN 25 Cb -0.40 -3.62 -0.04 0.00 -0.22 0.00 0.00 33.01 28.73 1nxj s GLN 25 CO 0.32 -0.50 -0.05 -0.06 -0.25 0.00 0.00 175.29 174.75 1nxj s PHE 26 N 2.73 2.67 0.06 0.91 0.40 -1.26 -4.89 117.98 118.60 1nxj s PHE 26 Ca 0.41 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1nxj s PHE 26 Cb -0.16 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1nxj s PHE 26 CO 0.09 0.56 0.23 1.03 0.70 0.00 0.00 175.22 177.83 1nxj s ARG 27 N -3.21 3.46 -0.04 0.44 0.52 0.06 -4.91 118.95 115.27 1nxj s ARG 27 Ca 0.28 -0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 55.00 1nxj s ARG 27 Cb -0.08 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1nxj s ARG 27 CO 0.17 0.61 0.31 -0.65 0.02 0.00 0.00 175.30 175.76 1nxj s GLN 28 N -2.42 3.74 0.00 3.54 -1.52 -1.26 -1.79 119.66 119.96 1nxj s GLN 28 Ca 0.34 0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.96 1nxj s GLN 28 Cb -0.13 -3.20 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1nxj s GLN 28 CO 0.26 0.72 0.00 1.19 -0.25 0.00 0.00 175.29 177.21 1nxj n PHE 29 N 1.84 0.00 -1.91 0.91 3.72 0.78 -4.98 117.46 117.81 1nxj n PHE 29 Ca -0.16 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.95 1nxj n PHE 29 Cb 0.53 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.22 1nxj n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nxj s GLY 30 N -1.49 1.71 0.42 1.37 0.00 -1.21 -1.99 107.32 106.12 1nxj s GLY 30 Ca 0.00 -0.99 0.29 0.00 0.00 0.00 0.00 44.72 44.02 1nxj s GLY 30 CO 0.00 -0.32 1.84 -1.33 0.00 0.00 0.00 173.10 173.29 1nxj h GLY 31 N -1.43 0.00 -5.61 0.20 0.00 -0.38 -3.43 103.07 92.42 1nxj h GLY 31 Ca -0.45 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.23 1nxj h GLY 31 CO 0.49 0.00 -0.72 0.50 0.00 0.00 0.00 176.54 176.81 1nxj s ARG 32 N -3.46 3.38 0.07 4.80 0.52 -1.04 -4.83 118.95 118.38 1nxj s ARG 32 Ca 0.04 -0.60 0.23 0.00 -0.52 0.00 0.00 55.73 54.88 1nxj s ARG 32 Cb 0.09 -2.73 0.15 0.00 0.52 0.00 0.00 34.95 32.98 1nxj s ARG 32 CO 0.51 0.30 1.13 -1.13 0.02 0.00 0.00 175.30 176.13 1nxj n SER 33 N 3.30 0.63 -4.12 0.23 3.41 -1.26 -4.15 113.62 111.66 1nxj n SER 33 Ca -0.18 -0.13 -0.23 0.00 -0.26 0.00 0.00 58.87 58.07 1nxj n SER 33 Cb 0.53 0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 64.92 1nxj n SER 33 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nxj s GLN 34 N -3.18 1.24 0.13 4.33 -0.21 -1.26 -4.07 119.66 116.65 1nxj s GLN 34 Ca 0.05 -0.54 -0.24 0.00 0.02 0.00 0.00 55.36 54.65 1nxj s GLN 34 Cb 0.14 -1.19 0.07 0.00 1.00 0.00 0.00 33.01 33.03 1nxj s GLN 34 CO 0.77 0.31 0.71 -0.59 -2.12 0.00 0.00 175.29 174.37 1nxj s PHE 35 N -0.32 -0.43 -0.17 0.91 -0.12 -0.53 -4.85 117.98 112.48 1nxj s PHE 35 Ca 0.05 0.21 -0.28 0.00 -0.05 0.00 0.00 56.93 56.86 1nxj s PHE 35 Cb -0.06 0.57 0.07 0.00 -0.63 0.00 0.00 43.02 42.97 1nxj s PHE 35 CO -0.00 -0.81 0.70 0.00 -0.05 0.00 0.00 175.22 175.06 1nxj s ALA 36 N -3.58 -1.78 0.00 1.99 0.00 -1.26 -0.49 121.76 116.64 1nxj s ALA 36 Ca 0.04 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1nxj s ALA 36 Cb -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1nxj s ALA 36 CO -0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1nxj n GLY 37 N 1.86 0.48 3.75 0.00 0.00 -0.60 -4.84 105.19 105.84 1nxj n GLY 37 Ca -0.16 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1nxj n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nxj s PRO 38 N -2.00 4.28 0.15 1.61 0.04 -1.26 -1.47 135.00 136.35 1nxj s PRO 38 Ca 0.00 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1nxj s PRO 38 Cb 0.00 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 1nxj s PRO 38 CO 0.00 -0.39 0.95 0.42 0.04 0.00 0.00 177.00 178.02 1nxj s ILE 39 N -0.14 4.38 0.13 0.56 1.01 0.70 -1.08 121.20 126.76 1nxj s ILE 39 Ca 0.58 2.06 0.07 0.00 0.00 0.00 0.00 60.65 63.36 1nxj s ILE 39 Cb -0.41 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 1nxj s ILE 39 CO 0.44 0.38 -0.15 -0.44 0.00 0.00 0.00 174.94 175.17 1nxj s SER 40 N -0.37 2.16 0.07 3.58 0.01 -0.36 -0.87 113.70 117.92 1nxj s SER 40 Ca 0.45 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1nxj s SER 40 Cb -0.24 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1nxj s SER 40 CO 0.30 -0.11 -0.06 0.42 0.41 0.00 0.00 173.24 174.20 1nxj s THR 41 N -2.06 0.55 -0.17 1.44 -4.23 -1.26 -1.01 115.64 108.89 1nxj s THR 41 Ca 0.10 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1nxj s THR 41 Cb -0.05 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.58 1nxj s THR 41 CO 0.04 -0.73 0.40 -0.69 -0.54 0.00 0.00 174.62 173.10 1nxj s VAL 42 N -2.91 -0.06 -0.14 2.29 1.01 -0.69 -1.41 120.40 118.49 1nxj s VAL 42 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1nxj s VAL 42 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1nxj s VAL 42 CO -0.04 0.04 -0.10 -0.60 0.00 0.00 0.00 175.10 174.40 1nxj s ARG 43 N 1.47 3.46 0.38 2.72 3.52 0.46 -0.85 118.95 130.11 1nxj s ARG 43 Ca -0.09 -0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 54.79 1nxj s ARG 43 Cb -0.09 -2.72 0.03 0.00 -1.56 0.00 0.00 34.95 30.61 1nxj s ARG 43 CO -0.13 0.20 0.63 0.00 -0.81 0.00 0.00 175.30 175.19 1nxj s PHE 45 N -2.55 -0.21 -1.10 0.00 5.36 -1.26 -3.94 117.98 114.27 1nxj s PHE 45 Ca 0.24 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.16 1nxj s PHE 45 Cb -0.03 -0.46 0.03 0.00 -0.34 0.00 0.00 43.02 42.22 1nxj s PHE 45 CO 0.17 -0.68 0.21 1.04 -1.46 0.00 0.00 175.22 174.50 1nxj n GLN 46 N 5.31 -2.82 -3.78 10.12 6.02 -1.26 -4.92 117.38 126.04 1nxj n GLN 46 Ca -0.05 0.53 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 1nxj n GLN 46 Cb 0.48 -5.17 -0.14 0.00 1.02 0.00 0.00 30.24 26.43 1nxj n GLN 46 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nxj s ASP 47 N -2.32 -0.14 -0.07 1.08 2.15 -1.26 -0.87 116.67 115.25 1nxj s ASP 47 Ca 0.16 0.31 0.10 0.00 0.43 0.00 0.00 52.55 53.55 1nxj s ASP 47 Cb -0.08 0.25 0.15 0.00 -0.30 0.00 0.00 42.92 42.94 1nxj s ASP 47 CO 0.20 -0.11 1.04 -0.46 -0.17 0.00 0.00 175.17 175.67 1nxj n ASN 48 N 3.69 1.59 -0.19 -0.34 0.23 -0.90 -4.77 115.26 114.56 1nxj n ASN 48 Ca -0.20 -2.49 -0.10 0.00 -0.53 0.00 0.00 54.58 51.26 1nxj n ASN 48 Cb 0.55 -0.27 0.02 0.00 -2.08 0.00 0.00 39.78 37.99 1nxj n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nxj h ALA 49 N 0.00 0.75 0.01 -2.53 0.00 -1.87 -1.78 119.26 113.85 1nxj h ALA 49 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nxj h ALA 49 Cb 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1nxj h ALA 49 CO 0.00 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 1nxj h LEU 50 N 0.88 -0.01 -1.60 0.00 5.85 -1.85 -2.08 115.31 116.50 1nxj h LEU 50 Ca 0.16 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1nxj h LEU 50 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1nxj h LEU 50 CO 0.03 0.29 -0.17 0.17 -0.34 0.00 0.00 178.44 178.42 1nxj h LEU 51 N -0.32 0.04 -0.45 2.25 8.10 -1.87 -1.66 115.31 121.40 1nxj h LEU 51 Ca -0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.83 1nxj h LEU 51 Cb 0.31 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1nxj h LEU 51 CO 0.00 0.22 -0.32 0.50 -4.11 0.00 0.00 178.44 174.73 1nxj h LYS 52 N 0.04 0.94 -0.50 0.17 3.64 -1.19 -0.99 116.57 118.69 1nxj h LYS 52 Ca 0.01 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1nxj h LYS 52 Cb 0.33 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1nxj h LYS 52 CO 0.02 1.12 0.06 0.66 -2.27 0.00 0.00 179.45 179.04 1nxj h SER 53 N 0.79 0.76 -0.22 4.20 4.64 -0.66 -1.06 113.55 121.99 1nxj h SER 53 Ca 0.08 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1nxj h SER 53 Cb 0.90 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1nxj h SER 53 CO 0.08 0.79 0.03 0.58 -0.87 0.00 0.00 176.83 177.45 1nxj h VAL 54 N 0.76 1.23 0.00 0.95 2.07 -1.10 -2.67 116.25 117.49 1nxj h VAL 54 Ca 0.16 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1nxj h VAL 54 Cb 0.38 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1nxj h VAL 54 CO 0.01 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.02 1nxj n LEU 55 N -4.71 0.00 0.09 2.57 4.77 -0.40 -2.10 117.00 117.22 1nxj n LEU 55 Ca -0.04 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 1nxj n LEU 55 Cb 0.20 -0.48 0.45 0.00 -2.33 0.00 0.00 43.42 41.26 1nxj n LEU 55 CO 0.37 -0.23 0.89 -1.20 -1.33 0.00 0.00 177.39 175.89 1nxj n SER 56 N -1.48 0.65 -4.78 -1.43 7.64 -0.43 -4.34 113.62 109.45 1nxj n SER 56 Ca 0.04 0.58 -0.37 0.00 1.01 0.00 0.00 58.87 60.12 1nxj n SER 56 Cb 0.17 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 1nxj n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nxj s GLN 57 N -3.12 4.10 0.53 1.43 -0.21 -0.89 -5.00 119.66 116.50 1nxj s GLN 57 Ca 0.10 0.31 -0.21 0.00 0.02 0.00 0.00 55.36 55.58 1nxj s GLN 57 Cb 0.13 -3.33 -0.07 0.00 1.00 0.00 0.00 33.01 30.73 1nxj s GLN 57 CO 0.55 0.43 0.98 -2.30 -2.12 0.00 0.00 175.29 172.82 1nxj n PRO 58 N 2.80 1.10 -3.99 2.91 -0.02 -1.26 -4.91 135.00 131.63 1nxj n PRO 58 Ca -0.12 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1nxj n PRO 58 Cb 0.52 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 1nxj n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nxj s SER 59 N -1.04 0.30 -1.49 2.55 0.15 0.26 -5.02 113.70 109.42 1nxj s SER 59 Ca 0.70 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 1nxj s SER 59 Cb -0.46 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1nxj s SER 59 CO 0.51 -0.05 2.55 0.00 1.20 0.00 0.00 173.24 177.45 1nxj n ALA 60 N 2.66 6.68 -2.76 5.45 0.00 -1.26 -4.38 120.51 126.90 1nxj n ALA 60 Ca -0.15 -3.82 -0.11 0.00 0.00 0.00 0.00 53.44 49.36 1nxj n ALA 60 Cb 0.58 -3.25 0.02 0.00 0.00 0.00 0.00 19.45 16.80 1nxj n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxj n GLY 61 N 3.25 0.17 3.78 0.00 0.00 -0.98 -4.77 105.19 106.63 1nxj n GLY 61 Ca 0.65 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1nxj n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nxj s GLY 62 N -2.97 1.60 -0.11 -0.02 0.00 -1.25 -4.07 107.32 100.49 1nxj s GLY 62 Ca 0.19 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.57 1nxj s GLY 62 CO 0.24 0.14 -0.17 0.14 0.00 0.00 0.00 173.10 173.45 1nxj s VAL 63 N -3.19 1.61 -0.24 1.40 1.01 -0.24 -0.92 120.40 119.83 1nxj s VAL 63 Ca 0.63 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1nxj s VAL 63 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1nxj s VAL 63 CO 0.54 0.46 0.12 -0.22 0.00 0.00 0.00 175.10 176.00 1nxj s LEU 64 N 0.93 3.84 -0.29 3.92 2.96 -0.65 -1.23 118.68 128.15 1nxj s LEU 64 Ca -0.07 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.73 1nxj s LEU 64 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1nxj s LEU 64 CO -0.01 0.04 0.17 -0.69 -1.32 0.00 0.00 176.35 174.54 1nxj s VAL 65 N 1.17 4.99 -0.28 1.68 1.01 -0.18 -1.29 120.40 127.50 1nxj s VAL 65 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1nxj s VAL 65 Cb -0.14 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1nxj s VAL 65 CO 0.05 0.18 0.03 -0.63 0.00 0.00 0.00 175.10 174.72 1nxj s ILE 66 N 1.70 3.57 -0.53 2.22 1.01 -0.07 -1.71 121.20 127.39 1nxj s ILE 66 Ca 0.06 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 1nxj s ILE 66 Cb -0.16 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.57 1nxj s ILE 66 CO 0.09 0.13 0.54 -0.62 0.00 0.00 0.00 174.94 175.07 1nxj s ASP 67 N 1.44 6.18 -0.37 3.58 2.15 -0.03 -0.62 116.67 129.00 1nxj s ASP 67 Ca 0.02 -1.44 0.06 0.00 0.43 0.00 0.00 52.55 51.62 1nxj s ASP 67 Cb -0.17 -2.24 0.60 0.00 -0.30 0.00 0.00 42.92 40.81 1nxj s ASP 67 CO -0.00 -0.87 1.71 0.61 -0.17 0.00 0.00 175.17 176.45 1nxj n GLY 68 N 5.23 4.67 2.63 2.66 0.00 -0.30 -1.45 105.19 118.62 1nxj n GLY 68 Ca -0.11 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 1nxj n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj n ALA 69 N -1.11 -0.20 -1.18 4.61 0.00 -1.21 -2.36 120.51 119.05 1nxj n ALA 69 Ca 0.47 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 54.07 1nxj n ALA 69 Cb 1.38 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1nxj n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxj n GLY 70 N -0.38 0.76 3.75 0.00 0.00 -0.22 -4.96 105.19 104.14 1nxj n GLY 70 Ca -0.13 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1nxj n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxj s SER 71 N -2.42 6.55 -0.12 1.61 0.15 -1.00 -4.63 113.70 113.85 1nxj s SER 71 Ca 0.00 2.78 0.15 0.00 0.70 0.00 0.00 55.95 59.58 1nxj s SER 71 Cb 0.00 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.24 1nxj s SER 71 CO 0.00 -0.77 1.47 0.18 1.20 0.00 0.00 173.24 175.32 1nxj n LEU 72 N 2.13 4.07 0.06 3.45 4.77 -1.26 -2.62 117.00 127.60 1nxj n LEU 72 Ca 0.07 -2.57 -0.12 0.00 -0.03 0.00 0.00 56.01 53.36 1nxj n LEU 72 Cb 0.39 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.86 1nxj n LEU 72 CO 0.62 0.73 -0.14 -0.74 -1.33 0.00 0.00 177.39 176.53 1nxj h HIS 73 N 2.76 0.25 -4.08 -1.77 2.76 -1.93 -3.43 115.15 109.71 1nxj h HIS 73 Ca 0.00 -0.19 -0.16 0.00 -2.20 0.00 0.00 60.37 57.82 1nxj h HIS 73 Cb 1.31 -0.01 -0.17 0.00 1.55 0.00 0.00 27.41 30.09 1nxj h HIS 73 CO 0.56 1.18 -0.69 0.95 -1.30 0.00 0.00 177.93 178.64 1nxj s THR 74 N -2.65 0.31 -0.26 6.26 -4.23 -1.26 -4.60 115.64 109.21 1nxj s THR 74 Ca -0.04 -1.59 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 1nxj s THR 74 Cb 0.08 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 1nxj s THR 74 CO 0.85 -0.83 0.79 0.00 -0.54 0.00 0.00 174.62 174.89 1nxj s ALA 75 N -3.16 3.61 0.10 3.99 0.00 0.47 -4.06 121.76 122.70 1nxj s ALA 75 Ca 0.02 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1nxj s ALA 75 Cb 0.02 -3.26 -0.22 0.00 0.00 0.00 0.00 23.12 19.67 1nxj s ALA 75 CO -0.06 -1.00 1.20 -0.07 0.00 0.00 0.00 175.76 175.83 1nxj h LEU 76 N 9.24 0.03 -7.79 0.00 3.38 -1.09 -3.26 115.31 115.82 1nxj h LEU 76 Ca -0.24 -0.03 -0.35 0.00 0.09 0.00 0.00 57.88 57.35 1nxj h LEU 76 Cb 1.10 -0.01 -0.31 0.00 0.09 0.00 0.00 40.66 41.53 1nxj h LEU 76 CO 0.86 1.02 -0.76 -0.69 0.09 0.00 0.00 178.44 178.97 1nxj s VAL 77 N -2.69 0.39 0.00 1.22 1.01 -1.24 -4.78 120.40 114.31 1nxj s VAL 77 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1nxj s VAL 77 Cb 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1nxj s VAL 77 CO 0.82 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.69 1nxj n GLY 78 N 3.54 5.29 0.28 4.51 0.00 -1.26 -1.35 105.19 116.20 1nxj n GLY 78 Ca -0.20 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.13 1nxj n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nxj h ASP 79 N 0.00 0.00 0.10 1.61 3.04 -1.86 -1.45 116.42 117.86 1nxj h ASP 79 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1nxj h ASP 79 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1nxj h ASP 79 CO 0.00 0.04 -0.05 0.58 -2.04 0.00 0.00 179.24 177.77 1nxj h VAL 80 N 0.00 1.11 -0.07 4.15 2.07 -1.96 -2.24 116.25 119.31 1nxj h VAL 80 Ca -0.00 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1nxj h VAL 80 Cb 0.46 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1nxj h VAL 80 CO 0.01 0.27 -0.55 0.40 0.02 0.00 0.00 177.57 177.71 1nxj h ILE 81 N -0.72 1.37 -0.39 4.57 2.04 -1.94 -1.85 117.51 120.59 1nxj h ILE 81 Ca -0.01 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 63.95 1nxj h ILE 81 Cb 0.55 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1nxj h ILE 81 CO 0.02 0.55 0.10 0.00 0.00 0.00 0.00 178.15 178.82 1nxj h ALA 82 N 1.26 0.51 -0.63 1.87 0.00 -1.33 -0.89 119.26 120.05 1nxj h ALA 82 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1nxj h ALA 82 Cb 1.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nxj h ALA 82 CO 0.08 0.18 0.05 1.49 0.00 0.00 0.00 179.25 181.06 1nxj h GLU 83 N 0.48 1.07 0.16 0.00 4.57 -1.32 -1.48 114.58 118.07 1nxj h GLU 83 Ca 0.12 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1nxj h GLU 83 Cb 0.30 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1nxj h GLU 83 CO 0.00 1.02 -0.18 1.25 -1.18 0.00 0.00 179.01 179.92 1nxj h LEU 84 N 0.98 -0.47 -0.48 1.64 5.85 -1.13 0.16 115.31 121.85 1nxj h LEU 84 Ca 0.18 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1nxj h LEU 84 Cb 0.50 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1nxj h LEU 84 CO 0.02 -0.26 0.12 0.00 -0.34 0.00 0.00 178.44 177.98 1nxj h ALA 85 N 0.41 0.56 -0.52 1.25 0.00 -1.00 -1.29 119.26 118.67 1nxj h ALA 85 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nxj h ALA 85 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1nxj h ALA 85 CO -0.06 -0.28 0.32 -0.09 0.00 0.00 0.00 179.25 179.15 1nxj h ARG 86 N 0.27 0.69 0.00 0.00 2.43 -0.90 -1.43 114.38 115.44 1nxj h ARG 86 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1nxj h ARG 86 Cb 0.30 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1nxj h ARG 86 CO -0.29 0.49 -0.05 0.66 -1.51 0.00 0.00 179.97 179.27 1nxj h SER 87 N 0.70 0.00 -0.48 -3.80 4.64 0.32 -2.10 113.55 112.83 1nxj h SER 87 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1nxj h SER 87 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1nxj h SER 87 CO -0.04 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 1nxj n THR 88 N -3.47 0.70 0.00 2.95 -2.24 -0.59 -4.98 114.28 106.65 1nxj n THR 88 Ca -0.02 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1nxj n THR 88 Cb 0.17 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1nxj n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nxj n GLY 89 N 1.39 0.37 3.75 3.38 0.00 -0.79 -0.57 105.19 112.72 1nxj n GLY 89 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1nxj n GLY 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nxj s TRP 90 N -2.00 3.26 -0.15 1.61 0.52 -0.58 -2.32 118.94 119.28 1nxj s TRP 90 Ca 0.00 1.34 0.21 0.00 0.02 0.00 0.00 56.10 57.67 1nxj s TRP 90 Cb 0.00 -3.57 -0.14 0.00 -1.15 0.00 0.00 33.47 28.61 1nxj s TRP 90 CO 0.00 -1.66 0.78 -2.37 0.02 0.00 0.00 176.95 173.72 1nxj n THR 91 N 2.01 0.53 -3.51 2.01 5.66 -0.10 -4.37 114.28 116.52 1nxj n THR 91 Ca 0.04 -0.57 -0.16 0.00 -3.05 0.00 0.00 64.05 60.31 1nxj n THR 91 Cb 0.43 -0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 68.87 1nxj n THR 91 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1nxj s GLY 92 N -4.53 -0.55 -0.09 1.09 0.00 -1.20 -0.98 107.32 101.07 1nxj s GLY 92 Ca -0.04 1.23 0.02 0.00 0.00 0.00 0.00 44.72 45.93 1nxj s GLY 92 CO 0.83 0.80 -0.12 1.08 0.00 0.00 0.00 173.10 175.69 1nxj s LEU 93 N -1.51 1.59 -0.33 0.66 1.43 0.44 -1.64 118.68 119.33 1nxj s LEU 93 Ca -0.07 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1nxj s LEU 93 Cb -0.00 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.36 1nxj s LEU 93 CO 0.04 0.00 0.07 -0.63 0.23 0.00 0.00 176.35 176.06 1nxj s ILE 94 N 0.92 3.28 -0.37 -0.59 1.01 -0.41 -1.01 121.20 124.03 1nxj s ILE 94 Ca -0.09 -1.42 -0.09 0.00 0.00 0.00 0.00 60.65 59.05 1nxj s ILE 94 Cb -0.15 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1nxj s ILE 94 CO 0.00 -0.22 0.18 -0.69 0.00 0.00 0.00 174.94 174.21 1nxj s VAL 95 N 1.28 4.28 -1.30 2.92 1.01 0.20 -0.89 120.40 127.89 1nxj s VAL 95 Ca -0.02 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1nxj s VAL 95 Cb -0.20 -3.43 0.12 0.00 0.00 0.00 0.00 36.38 32.87 1nxj s VAL 95 CO -0.00 -0.26 1.79 1.57 0.00 0.00 0.00 175.10 178.20 1nxj n HIS 96 N 4.93 4.04 0.00 5.22 -0.00 0.21 -3.47 115.22 126.15 1nxj n HIS 96 Ca -0.12 -3.00 0.00 0.00 0.46 0.00 0.00 57.72 55.06 1nxj n HIS 96 Cb 0.45 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1nxj n HIS 96 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nxj n GLY 97 N 4.03 -0.68 3.55 1.57 0.00 -1.26 -1.05 105.19 111.34 1nxj n GLY 97 Ca 0.44 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1nxj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj s ALA 98 N -1.00 2.96 0.39 4.61 0.00 -1.08 -1.22 121.76 126.43 1nxj s ALA 98 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 51.96 49.91 1nxj s ALA 98 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1nxj s ALA 98 CO 0.00 0.08 0.11 0.14 0.00 0.00 0.00 175.76 176.09 1nxj s VAL 99 N -2.61 0.72 0.27 0.00 -7.23 -0.53 -0.44 120.40 110.58 1nxj s VAL 99 Ca 0.33 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1nxj s VAL 99 Cb 0.02 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1nxj s VAL 99 CO 0.17 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 175.13 1nxj s ARG 100 N -3.77 1.48 -1.53 4.82 1.70 -0.46 -1.49 118.95 119.70 1nxj s ARG 100 Ca 0.27 -1.83 -0.05 0.00 -0.47 0.00 0.00 55.73 53.65 1nxj s ARG 100 Cb 0.04 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1nxj s ARG 100 CO 0.15 -0.47 0.64 -0.25 -1.08 0.00 0.00 175.30 174.28 1nxj n ASP 101 N -0.83 -6.13 -0.29 -2.89 8.00 -1.26 -4.21 116.55 108.94 1nxj n ASP 101 Ca 0.03 -0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.34 1nxj n ASP 101 Cb 0.65 -4.93 0.26 0.00 -0.02 0.00 0.00 41.12 37.08 1nxj n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nxj h ALA 102 N 0.99 1.26 -0.24 2.24 0.00 -1.96 0.29 119.26 121.84 1nxj h ALA 102 Ca -0.53 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nxj h ALA 102 Cb 1.36 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1nxj h ALA 102 CO 0.56 -0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.62 1nxj h ALA 103 N 1.69 1.84 0.04 0.00 0.00 -1.95 -2.66 119.26 118.23 1nxj h ALA 103 Ca 0.51 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 55.12 1nxj h ALA 103 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1nxj h ALA 103 CO -0.54 0.14 -1.55 0.00 0.00 0.00 0.00 179.25 177.30 1nxj h ALA 104 N 1.85 0.53 -0.63 0.00 0.00 -0.91 -3.36 119.26 116.74 1nxj h ALA 104 Ca 0.09 -1.26 0.05 0.00 0.00 0.00 0.00 54.91 53.79 1nxj h ALA 104 Cb -0.02 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1nxj h ALA 104 CO -0.02 1.38 0.42 -0.07 0.00 0.00 0.00 179.25 180.96 1nxj h LEU 105 N 0.03 0.57 -0.70 0.00 3.38 -0.54 -0.44 115.31 117.60 1nxj h LEU 105 Ca -0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nxj h LEU 105 Cb 1.97 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1nxj h LEU 105 CO 0.11 0.38 0.00 -2.11 0.09 0.00 0.00 178.44 176.91 1nxj n ARG 106 N -4.47 0.10 -0.38 1.13 1.85 -0.84 -1.82 116.66 112.22 1nxj n ARG 106 Ca 0.09 0.49 0.08 0.00 -1.00 0.00 0.00 57.85 57.50 1nxj n ARG 106 Cb 0.21 -1.77 0.24 0.00 -1.05 0.00 0.00 32.46 30.09 1nxj n ARG 106 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nxj n GLY 107 N -0.77 3.43 3.41 2.89 0.00 -0.18 -3.73 105.19 110.25 1nxj n GLY 107 Ca 0.01 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1nxj n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nxj s ILE 108 N -2.09 3.51 -0.66 -0.61 1.01 -0.76 -4.94 121.20 116.67 1nxj s ILE 108 Ca 0.37 -0.48 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1nxj s ILE 108 Cb 0.26 -2.54 -0.15 0.00 0.01 0.00 0.00 42.46 40.05 1nxj s ILE 108 CO 0.13 0.48 1.87 -0.67 0.00 0.00 0.00 174.94 176.75 1nxj n ASP 109 N 3.85 2.73 -3.49 3.58 2.03 -1.26 -0.85 116.55 123.14 1nxj n ASP 109 Ca -0.18 -2.53 -0.15 0.00 0.52 0.00 0.00 54.79 52.45 1nxj n ASP 109 Cb 0.52 -0.99 -0.04 0.00 -0.72 0.00 0.00 41.12 39.88 1nxj n ASP 109 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nxj s ILE 110 N 4.87 0.00 0.07 5.18 2.07 -1.26 -4.89 121.20 127.24 1nxj s ILE 110 Ca 0.51 -0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 59.48 1nxj s ILE 110 Cb 0.13 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.66 1nxj s ILE 110 CO 0.10 -0.02 0.70 -0.83 -1.91 0.00 0.00 174.94 172.99 1nxj s GLY 111 N -1.94 2.77 -0.07 1.50 0.00 -0.15 -2.03 107.32 107.40 1nxj s GLY 111 Ca -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1nxj s GLY 111 CO -0.01 0.85 0.13 -0.42 0.00 0.00 0.00 173.10 173.66 1nxj s ILE 112 N -0.56 -0.19 -0.04 0.90 1.01 -1.26 -0.42 121.20 120.64 1nxj s ILE 112 Ca 0.35 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.39 1nxj s ILE 112 Cb -0.21 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 1nxj s ILE 112 CO 0.22 0.14 -0.23 -0.54 0.00 0.00 0.00 174.94 174.53 1nxj s LYS 113 N 2.00 2.18 0.26 2.79 1.02 -0.18 -0.16 119.74 127.65 1nxj s LYS 113 Ca 0.01 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 1nxj s LYS 113 Cb -0.12 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1nxj s LYS 113 CO -0.05 0.40 0.54 0.00 -0.92 0.00 0.00 175.35 175.31 1nxj s ALA 114 N -0.26 -0.47 -0.51 5.17 0.00 -0.74 0.58 121.76 125.54 1nxj s ALA 114 Ca 0.01 -0.75 0.24 0.00 0.00 0.00 0.00 51.96 51.46 1nxj s ALA 114 Cb -0.12 1.02 0.30 0.00 0.00 0.00 0.00 23.12 24.32 1nxj s ALA 114 CO 0.02 -0.90 1.34 -0.07 0.00 0.00 0.00 175.76 176.14 1nxj h LEU 115 N 2.19 0.00 0.00 0.00 3.38 -1.19 0.20 115.31 119.89 1nxj h LEU 115 Ca -0.24 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nxj h LEU 115 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1nxj h LEU 115 CO 0.32 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1nxj n GLY 116 N 1.26 -1.00 3.24 0.83 0.00 -1.22 -4.83 105.19 103.46 1nxj n GLY 116 Ca 0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1nxj n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nxj s THR 117 N -3.00 1.19 -0.30 2.61 -4.23 -1.26 -1.46 115.64 109.20 1nxj s THR 117 Ca 0.00 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 1nxj s THR 117 Cb 0.00 -1.67 0.15 0.00 1.34 0.00 0.00 72.50 72.32 1nxj s THR 117 CO 0.00 -0.62 0.92 0.21 -0.54 0.00 0.00 174.62 174.60 1nxj s ASN 118 N -2.84 -0.66 0.31 3.99 3.84 -0.56 -4.87 114.94 114.16 1nxj s ASN 118 Ca 0.13 0.94 0.25 0.00 0.21 0.00 0.00 52.86 54.39 1nxj s ASN 118 Cb -0.01 1.63 1.07 0.00 -0.55 0.00 0.00 41.25 43.39 1nxj s ASN 118 CO 0.01 -0.14 1.75 1.55 -2.79 0.00 0.00 177.10 177.49 1nxj h PRO 119 N 7.19 0.00 -6.68 0.43 0.13 -1.92 -3.26 132.00 127.89 1nxj h PRO 119 Ca -0.20 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.41 1nxj h PRO 119 Cb 1.14 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.32 1nxj h PRO 119 CO 0.12 0.00 0.90 0.50 -0.23 0.00 0.00 178.00 179.29 1nxj s ARG 120 N -3.40 4.18 0.56 0.86 3.52 -1.26 -4.83 118.95 118.58 1nxj s ARG 120 Ca 0.03 2.46 -0.14 0.00 -0.13 0.00 0.00 55.73 57.95 1nxj s ARG 120 Cb 0.09 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 1nxj s ARG 120 CO 0.39 -0.62 1.01 0.15 -0.81 0.00 0.00 175.30 175.42 1nxj s LYS 121 N 0.59 3.78 0.54 5.12 1.02 -1.26 -0.39 119.74 129.13 1nxj s LYS 121 Ca 0.68 0.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.49 1nxj s LYS 121 Cb -0.46 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1nxj s LYS 121 CO 0.37 -0.42 0.85 -1.12 -0.92 0.00 0.00 175.35 174.11 1nxj s SER 122 N -3.53 5.92 0.85 2.83 0.01 -1.23 -4.66 113.70 113.88 1nxj s SER 122 Ca 0.57 0.82 -0.12 0.00 1.31 0.00 0.00 55.95 58.53 1nxj s SER 122 Cb -0.11 -1.97 0.12 0.00 0.21 0.00 0.00 66.02 64.28 1nxj s SER 122 CO 0.41 -0.83 1.21 0.42 0.41 0.00 0.00 173.24 174.86 1nxj s THR 123 N -2.88 2.03 -0.33 1.44 -4.23 -0.05 -4.79 115.64 106.84 1nxj s THR 123 Ca 0.51 -0.05 0.12 0.00 -1.18 0.00 0.00 61.69 61.09 1nxj s THR 123 Cb -0.10 -2.98 0.46 0.00 1.34 0.00 0.00 72.50 71.21 1nxj s THR 123 CO 0.45 0.00 1.10 0.29 -0.54 0.00 0.00 174.62 175.92 1nxj n LYS 124 N -3.42 2.65 0.12 3.99 4.01 -1.26 -2.11 118.16 122.13 1nxj n LYS 124 Ca 0.11 -3.94 -0.01 0.00 -0.51 0.00 0.00 58.31 53.96 1nxj n LYS 124 Cb 0.60 -1.91 0.04 0.00 -0.51 0.00 0.00 35.03 33.25 1nxj n LYS 124 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1nxj h THR 125 N 3.19 1.26 0.00 -0.18 1.35 -1.96 -3.45 112.91 113.12 1nxj h THR 125 Ca 0.14 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1nxj h THR 125 Cb 1.23 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 1nxj h THR 125 CO 0.61 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 1nxj n GLY 126 N 0.98 0.67 3.75 5.82 0.00 -1.26 -4.99 105.19 110.17 1nxj n GLY 126 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1nxj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj s ALA 127 N -2.46 2.91 0.00 4.61 0.00 -1.26 -4.44 121.76 121.11 1nxj s ALA 127 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1nxj s ALA 127 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1nxj s ALA 127 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.85 1nxj n GLY 128 N 0.69 1.27 3.13 0.00 0.00 -1.26 -4.69 105.19 104.32 1nxj n GLY 128 Ca 0.09 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 1nxj n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nxj s GLU 129 N -1.11 1.12 0.21 1.61 8.01 -0.01 -4.97 118.70 123.55 1nxj s GLU 129 Ca 0.00 -0.59 0.06 0.00 0.01 0.00 0.00 54.97 54.46 1nxj s GLU 129 Cb 0.00 -1.10 -0.04 0.00 -4.31 0.00 0.00 34.13 28.68 1nxj s GLU 129 CO 0.00 0.30 0.15 1.03 0.01 0.00 0.00 175.26 176.74 1nxj s ARG 130 N -0.56 2.84 -1.53 1.61 0.52 -1.26 -0.40 118.95 120.17 1nxj s ARG 130 Ca 0.05 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1nxj s ARG 130 Cb -0.06 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1nxj s ARG 130 CO -0.00 0.43 0.00 -0.25 0.02 0.00 0.00 175.30 175.50 1nxj n ASP 131 N -0.78 -5.22 -4.96 0.23 8.00 -0.50 -4.95 116.55 108.37 1nxj n ASP 131 Ca -0.08 0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 1nxj n ASP 131 Cb 0.57 -4.37 0.01 0.00 -0.02 0.00 0.00 41.12 37.30 1nxj n ASP 131 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1nxj s VAL 132 N -2.89 4.11 -0.01 2.53 -7.23 -1.26 -4.85 120.40 110.80 1nxj s VAL 132 Ca 0.00 -0.63 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 1nxj s VAL 132 Cb 0.00 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 1nxj s VAL 132 CO 0.00 -0.30 0.67 -1.61 -0.31 0.00 0.00 175.10 173.55 1nxj s GLU 133 N -4.43 4.40 -0.19 4.82 2.02 -1.26 -4.64 118.70 119.42 1nxj s GLU 133 Ca 0.47 0.86 -0.00 0.00 0.02 0.00 0.00 54.97 56.32 1nxj s GLU 133 Cb -0.10 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.77 1nxj s GLU 133 CO 0.36 0.27 -0.15 0.42 0.02 0.00 0.00 175.26 176.17 1nxj s ILE 134 N 0.09 2.41 -0.28 -1.63 1.01 -0.89 -4.95 121.20 116.96 1nxj s ILE 134 Ca 0.35 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1nxj s ILE 134 Cb -0.19 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1nxj s ILE 134 CO 0.19 0.48 0.14 -0.89 0.00 0.00 0.00 174.94 174.86 1nxj s THR 135 N 1.33 4.74 -0.00 2.92 2.01 -1.26 0.75 115.64 126.13 1nxj s THR 135 Ca 0.05 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1nxj s THR 135 Cb -0.14 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 1nxj s THR 135 CO -0.10 0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.24 1nxj s LEU 136 N 1.66 2.01 -1.22 4.42 1.43 0.59 -4.87 118.68 122.71 1nxj s LEU 136 Ca 0.06 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1nxj s LEU 136 Cb -0.16 -0.15 0.05 0.00 0.03 0.00 0.00 46.19 45.95 1nxj s LEU 136 CO 0.07 0.03 0.36 0.61 0.23 0.00 0.00 176.35 177.65 1nxj n GLY 137 N 2.96 -0.49 2.06 -3.19 0.00 -1.26 -1.05 105.19 104.21 1nxj n GLY 137 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1nxj n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nxj n GLY 138 N -1.09 0.70 3.22 -0.02 0.00 -1.26 -1.04 105.19 105.69 1nxj n GLY 138 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1nxj n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nxj s VAL 139 N -2.63 1.57 -0.25 1.61 1.01 -0.22 -4.91 120.40 116.58 1nxj s VAL 139 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 1nxj s VAL 139 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1nxj s VAL 139 CO 0.00 0.28 0.10 -0.89 0.00 0.00 0.00 175.10 174.58 1nxj s THR 140 N -0.67 4.55 -0.43 3.92 2.01 -1.26 -0.30 115.64 123.46 1nxj s THR 140 Ca 0.07 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 1nxj s THR 140 Cb -0.08 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1nxj s THR 140 CO 0.01 0.33 0.81 -0.36 -0.69 0.00 0.00 174.62 174.72 1nxj s PHE 141 N 1.58 3.01 -0.16 4.92 0.40 0.23 -4.92 117.98 123.04 1nxj s PHE 141 Ca 0.06 0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.65 1nxj s PHE 141 Cb -0.15 -3.65 -0.04 0.00 0.51 0.00 0.00 43.02 39.69 1nxj s PHE 141 CO 0.05 -0.94 0.04 0.08 0.70 0.00 0.00 175.22 175.16 1nxj s VAL 142 N 3.33 4.62 0.20 -0.44 1.01 -1.26 -2.09 120.40 125.77 1nxj s VAL 142 Ca 0.32 -0.10 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 1nxj s VAL 142 Cb -0.12 -3.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.07 1nxj s VAL 142 CO 0.22 0.49 1.46 -2.65 0.00 0.00 0.00 175.10 174.62 1nxj n PRO 143 N 3.27 2.01 0.00 2.72 -0.02 -1.26 -1.24 135.00 140.47 1nxj n PRO 143 Ca -0.17 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1nxj n PRO 143 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1nxj n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nxj n GLY 144 N 2.64 3.08 3.75 -1.23 0.00 -0.05 -4.96 105.19 108.43 1nxj n GLY 144 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1nxj n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nxj s ASP 145 N 0.49 3.51 -0.15 1.61 1.11 -0.37 -4.57 116.67 118.29 1nxj s ASP 145 Ca 0.00 1.22 -0.06 0.00 0.18 0.00 0.00 52.55 53.89 1nxj s ASP 145 Cb 0.00 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.07 1nxj s ASP 145 CO 0.00 -2.58 0.06 -0.63 1.18 0.00 0.00 175.17 173.20 1nxj s ILE 146 N -3.09 4.77 -0.10 0.77 -1.09 0.70 -0.21 121.20 122.94 1nxj s ILE 146 Ca 0.63 -0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.98 1nxj s ILE 146 Cb -0.16 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1nxj s ILE 146 CO 0.55 0.51 -0.02 0.00 -1.23 0.00 0.00 174.94 174.75 1nxj s ALA 147 N -0.06 3.14 -0.07 9.38 0.00 -0.54 -0.50 121.76 133.11 1nxj s ALA 147 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1nxj s ALA 147 Cb -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1nxj s ALA 147 CO 0.01 0.47 -0.19 0.71 0.00 0.00 0.00 175.76 176.76 1nxj s TYR 148 N -0.49 2.01 -0.01 0.00 1.51 0.33 -1.56 117.35 119.13 1nxj s TYR 148 Ca 0.08 -0.71 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1nxj s TYR 148 Cb -0.12 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1nxj s TYR 148 CO 0.02 -0.28 -0.01 0.45 -1.11 0.00 0.00 175.55 174.63 1nxj s SER 149 N 0.26 0.29 0.00 2.29 0.15 0.35 -0.68 113.70 116.36 1nxj s SER 149 Ca -0.11 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1nxj s SER 149 Cb -0.15 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1nxj s SER 149 CO 0.05 -0.04 0.00 -0.90 1.20 0.00 0.00 173.24 173.55 1nxj n ASP 150 N 3.59 0.00 0.13 5.45 5.68 -0.86 -1.45 116.55 129.09 1nxj n ASP 150 Ca -0.20 -0.66 0.10 0.00 -0.50 0.00 0.00 54.79 53.53 1nxj n ASP 150 Cb 0.55 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.02 1nxj n ASP 150 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nxj n ASP 151 N -1.24 0.53 -0.03 -1.12 8.00 -1.26 -2.85 116.55 118.58 1nxj n ASP 151 Ca 0.00 0.69 -0.15 0.00 0.71 0.00 0.00 54.79 56.04 1nxj n ASP 151 Cb 0.00 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 1nxj n ASP 151 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nxj n ASP 152 N -2.15 1.44 0.00 -2.24 8.00 -1.26 -5.09 116.55 115.24 1nxj n ASP 152 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1nxj n ASP 152 Cb 0.11 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1nxj n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxj n GLY 153 N 1.85 -0.71 2.84 0.44 0.00 -1.13 -5.09 105.19 103.40 1nxj n GLY 153 Ca -0.29 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1nxj n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nxj s ILE 154 N -4.00 -0.06 -0.04 -0.61 1.01 -1.26 -2.03 121.20 114.21 1nxj s ILE 154 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1nxj s ILE 154 Cb 0.00 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 1nxj s ILE 154 CO 0.00 0.08 -0.18 -0.63 0.00 0.00 0.00 174.94 174.21 1nxj s ILE 155 N 1.13 2.72 -0.07 2.92 -1.09 0.14 -1.22 121.20 125.73 1nxj s ILE 155 Ca -0.09 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 1nxj s ILE 155 Cb -0.12 -2.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1nxj s ILE 155 CO -0.04 0.58 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.34 1nxj s VAL 156 N -0.62 2.33 0.00 2.92 1.01 -0.76 -0.51 120.40 124.76 1nxj s VAL 156 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1nxj s VAL 156 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1nxj s VAL 156 CO 0.00 0.57 0.30 0.52 0.00 0.00 0.00 175.10 176.49