#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2t n SER 4 N 0.00 -1.43 -0.93 4.39 2.88 -1.26 -4.92 113.62 112.35 1j2t n SER 4 Ca 0.00 0.85 0.12 0.00 -1.33 0.00 0.00 58.87 58.51 1j2t n SER 4 Cb 0.00 -1.07 0.18 0.00 -0.75 0.00 0.00 64.21 62.57 1j2t n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1j2t n VAL 5 N -1.07 0.09 -3.39 2.46 0.24 -1.26 -4.90 118.33 110.50 1j2t n VAL 5 Ca 0.11 -0.51 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 1j2t n VAL 5 Cb 0.41 1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 33.95 1j2t n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j2t s PHE 6 N -1.91 3.27 0.29 6.34 0.40 -1.26 0.08 117.98 125.19 1j2t s PHE 6 Ca 0.31 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 57.12 1j2t s PHE 6 Cb 0.21 -2.56 0.72 0.00 0.51 0.00 0.00 43.02 41.89 1j2t s PHE 6 CO 0.31 -0.19 1.72 0.28 0.70 0.00 0.00 175.22 178.04 1j2t h VAL 7 N 5.32 0.56 0.00 -0.44 2.07 -1.40 0.09 116.25 122.45 1j2t h VAL 7 Ca -0.32 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1j2t h VAL 7 Cb 1.16 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1j2t h VAL 7 CO 0.66 0.09 -0.03 1.23 0.02 0.00 0.00 177.57 179.54 1j2t h GLY 8 N 0.51 0.00 -1.36 2.17 0.00 -1.94 -1.44 103.07 101.01 1j2t h GLY 8 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1j2t h GLY 8 CO -0.47 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.25 1j2t n GLU 9 N -3.66 2.05 -3.92 4.80 1.02 0.01 -4.91 120.64 116.02 1j2t n GLU 9 Ca -0.03 -1.55 -0.24 0.00 -0.02 0.00 0.00 57.16 55.32 1j2t n GLU 9 Cb 0.12 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1j2t n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j2t s LEU 10 N -1.76 4.31 0.66 -4.62 1.43 -0.55 -4.95 118.68 113.21 1j2t s LEU 10 Ca 0.34 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.50 1j2t s LEU 10 Cb 0.20 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1j2t s LEU 10 CO 0.30 -0.02 1.03 0.42 0.23 0.00 0.00 176.35 178.31 1j2t s THR 11 N -1.87 3.72 0.38 5.49 -4.23 -1.26 -4.91 115.64 112.96 1j2t s THR 11 Ca 0.35 0.39 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 1j2t s THR 11 Cb -0.10 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.36 1j2t s THR 11 CO 0.29 -0.65 1.90 4.11 -0.54 0.00 0.00 174.62 179.73 1j2t h TRP 12 N -0.46 0.23 -0.45 3.99 5.08 -1.99 -1.26 115.95 121.10 1j2t h TRP 12 Ca -0.45 -0.03 -0.06 0.00 1.08 0.00 0.00 58.89 59.43 1j2t h TRP 12 Cb 1.25 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.33 1j2t h TRP 12 CO 0.51 0.38 0.03 0.87 -1.28 0.00 0.00 178.44 178.95 1j2t h LYS 13 N 0.20 0.77 -0.38 0.12 1.79 -1.99 0.73 116.57 117.82 1j2t h LYS 13 Ca 0.04 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 1j2t h LYS 13 Cb 0.41 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1j2t h LYS 13 CO 0.03 0.82 0.13 0.93 -1.08 0.00 0.00 179.45 180.28 1j2t h GLU 14 N 0.63 0.59 -0.17 3.15 5.08 -1.80 -1.30 114.58 120.75 1j2t h GLU 14 Ca 0.13 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j2t h GLU 14 Cb 0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1j2t h GLU 14 CO 0.02 0.58 0.09 -0.92 -1.00 0.00 0.00 179.01 177.78 1j2t h TYR 15 N 0.47 0.24 -0.68 4.33 3.20 -1.15 -2.04 116.97 121.34 1j2t h TYR 15 Ca 0.12 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1j2t h TYR 15 Cb 0.23 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1j2t h TYR 15 CO 0.01 0.25 0.33 1.49 -1.64 0.00 0.00 178.16 178.59 1j2t h GLU 16 N 0.17 0.55 -0.71 1.82 4.81 -0.67 -0.95 114.58 119.60 1j2t h GLU 16 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1j2t h GLU 16 Cb 0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1j2t h GLU 16 CO -0.01 0.36 0.32 0.00 -0.73 0.00 0.00 179.01 178.95 1j2t h ALA 17 N 1.42 0.92 -0.47 2.92 0.00 -1.04 0.70 119.26 123.71 1j2t h ALA 17 Ca 0.34 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1j2t h ALA 17 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1j2t h ALA 17 CO -0.27 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 1j2t h ARG 18 N 1.00 0.84 -0.20 0.00 2.47 -0.59 -2.03 114.38 115.87 1j2t h ARG 18 Ca 0.24 -0.27 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 1j2t h ARG 18 Cb 0.15 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1j2t h ARG 18 CO -0.03 0.90 -0.57 0.28 0.56 0.00 0.00 179.97 181.11 1j2t h VAL 19 N 0.76 1.31 0.00 2.04 2.07 -0.96 -3.10 116.25 118.38 1j2t h VAL 19 Ca 0.13 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1j2t h VAL 19 Cb 0.58 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1j2t h VAL 19 CO 0.04 0.57 -0.07 0.00 0.02 0.00 0.00 177.57 178.12 1j2t h ALA 20 N 0.88 1.56 -0.23 1.67 0.00 -0.48 -2.33 119.26 120.33 1j2t h ALA 20 Ca 0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1j2t h ALA 20 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1j2t h ALA 20 CO 0.11 0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.64 1j2t h ALA 21 N 1.93 2.07 0.00 0.00 0.00 -1.30 -3.47 119.26 118.49 1j2t h ALA 21 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j2t h ALA 21 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j2t h ALA 21 CO 0.01 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1j2t n GLY 22 N -1.52 2.67 0.87 0.00 0.00 -0.88 -4.89 105.19 101.45 1j2t n GLY 22 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1j2t n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2t n ASP 23 N 0.00 1.42 -4.71 1.61 3.85 -1.26 -5.02 116.55 112.44 1j2t n ASP 23 Ca 0.00 -3.07 -0.42 0.00 -0.71 0.00 0.00 54.79 50.59 1j2t n ASP 23 Cb 0.00 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.32 1j2t n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j2t s VAL 25 N 1.66 4.73 0.07 0.00 1.01 -1.26 -4.18 120.40 122.42 1j2t s VAL 25 Ca 0.72 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.69 1j2t s VAL 25 Cb -0.43 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1j2t s VAL 25 CO 0.32 0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 175.06 1j2t s LEU 26 N 0.43 3.24 -0.02 3.92 1.43 -0.41 -1.45 118.68 125.82 1j2t s LEU 26 Ca 0.03 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1j2t s LEU 26 Cb -0.13 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1j2t s LEU 26 CO 0.01 0.21 -0.14 -0.04 0.23 0.00 0.00 176.35 176.62 1j2t s MET 27 N -2.02 1.30 -0.23 1.70 -1.94 0.63 -0.25 119.30 118.49 1j2t s MET 27 Ca 0.22 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1j2t s MET 27 Cb -0.11 -1.19 0.06 0.00 2.01 0.00 0.00 34.83 35.59 1j2t s MET 27 CO 0.14 0.24 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.18 1j2t s LEU 28 N -0.08 2.33 0.22 -0.03 2.96 0.77 -0.22 118.68 124.64 1j2t s LEU 28 Ca 0.00 -1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 1j2t s LEU 28 Cb -0.08 -1.06 -0.09 0.00 0.50 0.00 0.00 46.19 45.46 1j2t s LEU 28 CO 0.01 -0.26 1.23 -2.84 -1.32 0.00 0.00 176.35 173.17 1j2t s PRO 29 N 1.48 4.47 -0.23 0.98 0.02 -1.26 -1.01 135.00 139.44 1j2t s PRO 29 Ca -0.04 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1j2t s PRO 29 Cb -0.18 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.20 1j2t s PRO 29 CO -0.07 -0.11 -0.03 0.08 -0.33 0.00 0.00 177.00 176.54 1j2t s VAL 30 N -0.28 1.40 0.00 3.83 1.01 -0.24 -1.21 120.40 124.91 1j2t s VAL 30 Ca 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1j2t s VAL 30 Cb -0.34 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1j2t s VAL 30 CO 0.40 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1j2t n GLY 31 N 4.72 4.32 3.57 4.51 0.00 0.16 -0.79 105.19 121.68 1j2t n GLY 31 Ca -0.11 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1j2t n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 32 N -2.18 -1.99 -0.31 4.61 0.00 -1.23 -3.16 121.76 117.49 1j2t s ALA 32 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1j2t s ALA 32 Cb 0.00 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1j2t s ALA 32 CO 0.00 -0.61 0.04 -1.17 0.00 0.00 0.00 175.76 174.02 1j2t s LEU 33 N -2.24 4.00 -0.18 0.00 2.96 -1.12 -4.16 118.68 117.93 1j2t s LEU 33 Ca 0.08 -1.13 -0.19 0.00 -0.22 0.00 0.00 54.13 52.67 1j2t s LEU 33 Cb -0.01 -1.79 0.05 0.00 0.50 0.00 0.00 46.19 44.94 1j2t s LEU 33 CO -0.06 -0.27 0.52 -0.70 -1.32 0.00 0.00 176.35 174.52 1j2t s GLU 34 N 1.34 0.64 0.34 1.98 2.12 -0.34 -1.23 118.70 123.55 1j2t s GLU 34 Ca -0.03 0.65 -0.28 0.00 0.36 0.00 0.00 54.97 55.68 1j2t s GLU 34 Cb -0.19 0.31 -0.12 0.00 0.26 0.00 0.00 34.13 34.38 1j2t s GLU 34 CO 0.01 -0.09 1.23 0.00 -0.54 0.00 0.00 175.26 175.87 1j2t n GLN 35 N 2.61 1.96 -2.71 4.30 -0.00 -1.26 -4.32 117.38 117.96 1j2t n GLN 35 Ca -0.14 0.69 -0.13 0.00 -0.00 0.00 0.00 57.00 57.41 1j2t n GLN 35 Cb 0.56 -2.25 0.02 0.00 -0.00 0.00 0.00 30.24 28.57 1j2t n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1j2t n HIS 36 N 0.23 1.44 -4.18 2.61 8.25 -1.26 -4.97 115.22 117.33 1j2t n HIS 36 Ca 0.06 -3.01 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 1j2t n HIS 36 Cb 0.36 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1j2t n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j2t n GLY 37 N -0.08 -1.66 0.13 -1.41 0.00 -1.25 -3.60 105.19 97.31 1j2t n GLY 37 Ca 0.16 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1j2t n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j2t h HIS 38 N 0.00 0.00 -0.01 1.61 3.86 -1.82 -3.37 115.15 115.41 1j2t h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j2t h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1j2t h HIS 38 CO 0.00 0.00 -0.31 -2.39 0.86 0.00 0.00 177.93 176.09 1j2t n HIS 39 N -2.50 0.00 -3.98 2.45 1.44 -1.26 -4.87 115.22 106.49 1j2t n HIS 39 Ca 0.04 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.66 1j2t n HIS 39 Cb 0.48 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.49 1j2t n HIS 39 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1j2t s MET 40 N -1.88 0.56 1.02 -1.40 0.00 -1.24 -0.87 119.30 115.49 1j2t s MET 40 Ca 0.14 -0.87 -0.16 0.00 0.00 0.00 0.00 55.69 54.80 1j2t s MET 40 Cb 0.13 0.21 0.21 0.00 0.00 0.00 0.00 34.83 35.39 1j2t s MET 40 CO 0.39 -0.13 1.24 0.00 0.00 0.00 0.00 175.02 176.53 1j2t n MET 42 N -4.03 0.60 -0.47 0.00 0.00 -1.26 -4.17 117.12 107.79 1j2t n MET 42 Ca 0.14 -0.46 0.09 0.00 0.00 0.00 0.00 57.70 57.46 1j2t n MET 42 Cb 0.59 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.62 1j2t n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1j2t n ASN 43 N -0.80 3.90 -0.27 7.83 2.04 -1.26 -1.19 115.26 125.51 1j2t n ASN 43 Ca 0.08 -2.27 0.08 0.00 -0.44 0.00 0.00 54.58 52.02 1j2t n ASN 43 Cb 0.39 -0.50 0.21 0.00 -2.53 0.00 0.00 39.78 37.35 1j2t n ASN 43 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1j2t h VAL 44 N 3.53 0.41 0.00 3.53 2.07 -1.83 -0.55 116.25 123.41 1j2t h VAL 44 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1j2t h VAL 44 Cb 1.15 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1j2t h VAL 44 CO 0.15 0.04 0.00 0.44 0.02 0.00 0.00 177.57 178.22 1j2t h ASP 45 N 0.22 0.00 0.00 0.57 3.32 -1.81 -0.93 116.42 117.79 1j2t h ASP 45 Ca 0.46 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.25 1j2t h ASP 45 Cb 0.85 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1j2t h ASP 45 CO -0.59 0.00 -1.44 0.52 -1.72 0.00 0.00 179.24 176.01 1j2t n VAL 46 N -2.35 1.54 -0.23 -1.35 0.31 -0.32 -4.03 118.33 111.90 1j2t n VAL 46 Ca 0.02 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1j2t n VAL 46 Cb 0.23 -2.01 0.10 0.00 -0.91 0.00 0.00 33.84 31.25 1j2t n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j2t h LEU 47 N -0.96 0.54 0.27 7.52 3.38 -0.83 -2.30 115.31 122.93 1j2t h LEU 47 Ca -0.40 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1j2t h LEU 47 Cb 1.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1j2t h LEU 47 CO -0.23 0.35 -0.13 -0.07 0.09 0.00 0.00 178.44 178.45 1j2t h LEU 48 N 0.68 -0.31 -1.49 1.67 3.38 -1.42 -1.18 115.31 116.64 1j2t h LEU 48 Ca 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1j2t h LEU 48 Cb 0.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1j2t h LEU 48 CO -0.19 0.10 -0.15 1.55 0.09 0.00 0.00 178.44 179.84 1j2t h PRO 49 N -0.78 0.14 -0.34 1.13 0.13 -1.76 -1.31 132.00 129.22 1j2t h PRO 49 Ca -0.04 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1j2t h PRO 49 Cb 0.51 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1j2t h PRO 49 CO 0.06 0.30 0.11 1.15 -0.23 0.00 0.00 178.00 179.39 1j2t h THR 50 N 0.14 1.20 -0.84 1.56 2.02 -1.32 0.15 112.91 115.82 1j2t h THR 50 Ca 0.03 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1j2t h THR 50 Cb 0.35 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1j2t h THR 50 CO 0.02 0.23 0.43 0.00 0.37 0.00 0.00 175.52 176.57 1j2t h ALA 51 N 0.95 1.08 -0.23 6.16 0.00 -0.68 0.48 119.26 127.02 1j2t h ALA 51 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j2t h ALA 51 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j2t h ALA 51 CO -0.00 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 1j2t h VAL 52 N 1.18 1.26 -0.45 0.00 2.07 -1.10 -2.42 116.25 116.79 1j2t h VAL 52 Ca 0.29 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1j2t h VAL 52 Cb 0.07 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1j2t h VAL 52 CO -0.04 0.29 0.18 0.00 0.02 0.00 0.00 177.57 178.02 1j2t h LYS 54 N 0.37 0.08 -0.41 0.00 3.64 -0.77 0.14 116.57 119.62 1j2t h LYS 54 Ca 0.21 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1j2t h LYS 54 Cb 0.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1j2t h LYS 54 CO -0.19 0.05 -0.30 0.00 -2.27 0.00 0.00 179.45 176.75 1j2t h ARG 55 N 0.08 0.91 -0.16 1.90 3.08 -1.03 -0.86 114.38 118.30 1j2t h ARG 55 Ca 0.18 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1j2t h ARG 55 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1j2t h ARG 55 CO -0.32 1.08 0.06 0.28 -1.07 0.00 0.00 179.97 180.00 1j2t h VAL 56 N 0.77 1.16 -0.65 2.04 2.07 -0.81 -2.46 116.25 118.36 1j2t h VAL 56 Ca 0.08 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1j2t h VAL 56 Cb 0.87 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1j2t h VAL 56 CO 0.08 0.15 0.34 0.00 0.02 0.00 0.00 177.57 178.16 1j2t h ALA 57 N 0.90 0.87 -0.79 1.67 0.00 -0.50 0.13 119.26 121.54 1j2t h ALA 57 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1j2t h ALA 57 Cb 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1j2t h ALA 57 CO -0.00 -0.01 0.48 0.93 0.00 0.00 0.00 179.25 180.64 1j2t h GLU 58 N 0.62 0.85 -0.27 0.00 5.08 -1.04 0.10 114.58 119.93 1j2t h GLU 58 Ca 0.30 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1j2t h GLU 58 Cb 0.24 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j2t h GLU 58 CO -0.21 0.57 -0.55 0.00 -1.00 0.00 0.00 179.01 177.82 1j2t h ARG 59 N 0.88 0.85 -0.01 2.33 3.08 -0.76 -3.35 114.38 117.39 1j2t h ARG 59 Ca 0.34 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1j2t h ARG 59 Cb 0.15 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1j2t h ARG 59 CO -0.17 1.18 -0.30 0.44 -1.07 0.00 0.00 179.97 180.06 1j2t n ILE 60 N -4.03 0.00 -2.43 2.04 -5.35 -0.08 -4.99 119.36 104.51 1j2t n ILE 60 Ca -0.05 -0.35 -0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1j2t n ILE 60 Cb 0.63 1.22 0.01 0.00 -1.74 0.00 0.00 39.64 39.75 1j2t n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j2t n GLY 61 N 1.14 0.62 4.01 3.28 0.00 0.31 -5.05 105.19 109.51 1j2t n GLY 61 Ca 0.07 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 1j2t n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 62 N -2.73 4.58 0.09 4.61 0.00 -0.88 -4.71 121.76 122.72 1j2t s ALA 62 Ca 0.04 -1.89 0.09 0.00 0.00 0.00 0.00 51.96 50.20 1j2t s ALA 62 Cb -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1j2t s ALA 62 CO 0.05 -0.57 -0.23 -0.51 0.00 0.00 0.00 175.76 174.50 1j2t s LEU 63 N -4.49 2.27 -0.16 0.00 1.43 -0.53 -4.70 118.68 112.50 1j2t s LEU 63 Ca 0.57 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1j2t s LEU 63 Cb -0.07 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 1j2t s LEU 63 CO 0.35 0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 176.27 1j2t s VAL 64 N -1.02 3.08 0.56 -1.59 1.01 0.11 -0.27 120.40 122.29 1j2t s VAL 64 Ca 0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1j2t s VAL 64 Cb -0.10 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1j2t s VAL 64 CO 0.04 0.49 0.98 -0.04 0.00 0.00 0.00 175.10 176.57 1j2t s MET 65 N 0.79 3.70 0.23 2.72 -1.94 0.69 -0.97 119.30 124.52 1j2t s MET 65 Ca -0.04 0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 54.36 1j2t s MET 65 Cb -0.15 -2.14 -0.13 0.00 2.01 0.00 0.00 34.83 34.41 1j2t s MET 65 CO 0.01 -0.42 1.41 -2.30 -0.01 0.00 0.00 175.02 173.71 1j2t n PRO 66 N -2.29 2.01 -2.35 2.03 -0.02 -1.26 -4.49 135.00 128.62 1j2t n PRO 66 Ca 0.05 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 1j2t n PRO 66 Cb 0.54 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1j2t n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1j2t s GLY 67 N 0.32 2.37 -0.23 -1.23 0.00 -1.26 -4.73 107.32 102.55 1j2t s GLY 67 Ca 0.69 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 45.65 1j2t s GLY 67 CO 0.49 0.85 1.24 1.08 0.00 0.00 0.00 173.10 176.76 1j2t s LEU 68 N -3.87 4.04 0.20 0.66 1.43 -0.35 -4.92 118.68 115.88 1j2t s LEU 68 Ca 0.66 1.44 0.18 0.00 -1.03 0.00 0.00 54.13 55.38 1j2t s LEU 68 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1j2t s LEU 68 CO 0.26 -0.88 1.13 1.56 0.23 0.00 0.00 176.35 178.65 1j2t h GLN 69 N 8.53 0.00 -5.56 1.70 1.08 -1.89 0.49 115.11 119.46 1j2t h GLN 69 Ca -0.25 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.31 1j2t h GLN 69 Cb 1.09 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.21 1j2t h GLN 69 CO 1.00 0.24 -0.86 0.71 -0.95 0.00 0.00 178.83 178.96 1j2t s TYR 70 N -3.07 2.15 0.01 2.96 1.51 -1.26 -2.81 117.35 116.83 1j2t s TYR 70 Ca 0.01 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1j2t s TYR 70 Cb 0.08 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1j2t s TYR 70 CO 0.77 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 175.39 1j2t n GLY 71 N 3.17 4.13 3.77 0.71 0.00 -1.19 -4.76 105.19 111.02 1j2t n GLY 71 Ca -0.18 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1j2t n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j2t s TYR 72 N -1.32 2.57 0.02 1.61 5.04 -1.26 -0.35 117.35 123.65 1j2t s TYR 72 Ca 0.00 1.56 -0.37 0.00 -2.44 0.00 0.00 57.07 55.82 1j2t s TYR 72 Cb 0.00 -3.12 -0.16 0.00 0.35 0.00 0.00 41.96 39.03 1j2t s TYR 72 CO 0.00 -1.78 1.45 1.63 -1.34 0.00 0.00 175.55 175.51 1j2t n LYS 73 N -3.00 1.26 -1.70 4.97 5.02 -1.25 -4.74 118.16 118.72 1j2t n LYS 73 Ca 0.10 0.46 -0.44 0.00 -2.02 0.00 0.00 58.31 56.41 1j2t n LYS 73 Cb 0.52 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 1j2t n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2t n SER 74 N 3.25 3.38 -4.72 4.39 2.88 -1.26 -4.89 113.62 116.64 1j2t n SER 74 Ca 0.20 1.12 -0.34 0.00 -1.33 0.00 0.00 58.87 58.52 1j2t n SER 74 Cb 0.19 -1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.06 1j2t n SER 74 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1j2t s GLN 75 N 0.12 2.97 0.20 -1.46 -1.52 -1.26 -2.24 119.66 116.47 1j2t s GLN 75 Ca 0.70 -0.47 -0.12 0.00 -1.95 0.00 0.00 55.36 53.52 1j2t s GLN 75 Cb -0.58 -2.79 0.24 0.00 -0.22 0.00 0.00 33.01 29.65 1j2t s GLN 75 CO 0.44 0.67 1.69 0.37 -0.25 0.00 0.00 175.29 178.21 1j2t h GLN 76 N 4.64 0.16 0.00 2.91 4.15 -1.91 0.56 115.11 125.62 1j2t h GLN 76 Ca -0.50 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1j2t h GLN 76 Cb 1.19 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1j2t h GLN 76 CO 0.57 0.11 0.00 1.63 -1.93 0.00 0.00 178.83 179.21 1j2t n LYS 77 N -5.20 0.09 0.00 1.69 5.02 -1.26 -2.94 118.16 115.56 1j2t n LYS 77 Ca 0.07 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1j2t n LYS 77 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1j2t n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j2t n SER 78 N -1.43 0.05 -0.09 4.39 3.41 -0.66 -4.31 113.62 114.99 1j2t n SER 78 Ca 0.06 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1j2t n SER 78 Cb 0.20 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1j2t n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2t n GLY 79 N 0.25 0.08 1.14 5.00 0.00 0.19 -4.70 105.19 107.15 1j2t n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 80 N 0.00 2.61 0.00 -0.02 0.00 -1.10 -4.80 105.19 101.88 1j2t n GLY 80 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1j2t n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 81 N 0.00 3.42 0.14 -0.02 0.00 -1.22 -4.37 105.19 103.15 1j2t n GLY 81 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.32 1j2t n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j2t n ASN 82 N 0.00 0.42 0.00 1.61 2.85 -0.95 -3.20 115.26 116.00 1j2t n ASN 82 Ca 0.00 -1.71 0.13 0.00 -0.11 0.00 0.00 54.58 52.90 1j2t n ASN 82 Cb 0.00 -0.04 0.47 0.00 1.24 0.00 0.00 39.78 41.45 1j2t n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j2t n HIS 83 N -0.41 0.02 -2.25 1.20 1.44 -1.26 -4.89 115.22 109.07 1j2t n HIS 83 Ca 0.10 0.01 -0.37 0.00 -2.01 0.00 0.00 57.72 55.44 1j2t n HIS 83 Cb 0.10 -0.41 -0.01 0.00 0.12 0.00 0.00 29.99 29.79 1j2t n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j2t s PHE 84 N -3.00 2.85 0.79 -1.40 0.40 -1.19 -5.02 117.98 111.41 1j2t s PHE 84 Ca 0.13 1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 57.87 1j2t s PHE 84 Cb 0.18 -3.38 0.07 0.00 0.51 0.00 0.00 43.02 40.40 1j2t s PHE 84 CO 0.60 -1.53 1.14 -2.14 0.70 0.00 0.00 175.22 173.99 1j2t s PRO 85 N -2.74 1.93 0.00 0.24 0.02 -1.26 -3.83 135.00 129.36 1j2t s PRO 85 Ca 0.64 1.45 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1j2t s PRO 85 Cb -0.28 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1j2t s PRO 85 CO 0.34 -1.93 0.00 0.41 -0.33 0.00 0.00 177.00 175.49 1j2t n GLY 86 N -0.30 2.01 3.67 0.52 0.00 -1.26 -4.62 105.19 105.21 1j2t n GLY 86 Ca 0.11 -0.28 -0.50 0.00 0.00 0.00 0.00 46.02 45.36 1j2t n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2t n THR 87 N 0.00 0.25 -3.80 2.61 -1.04 -1.25 -4.65 114.28 106.41 1j2t n THR 87 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 1j2t n THR 87 Cb 0.00 -1.47 -0.15 0.00 -1.82 0.00 0.00 70.33 66.88 1j2t n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1j2t s THR 88 N 2.38 1.12 0.05 12.58 2.01 -0.37 -4.97 115.64 128.45 1j2t s THR 88 Ca 0.88 -1.40 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1j2t s THR 88 Cb -0.80 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1j2t s THR 88 CO 0.49 -0.52 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.40 1j2t s SER 89 N 1.52 4.68 0.36 3.53 0.01 -1.26 -4.40 113.70 118.14 1j2t s SER 89 Ca 0.06 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 1j2t s SER 89 Cb -0.18 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.95 1j2t s SER 89 CO -0.18 0.22 0.66 -0.76 0.41 0.00 0.00 173.24 173.60 1j2t s LEU 90 N -1.88 3.91 0.74 2.44 1.43 0.52 -4.87 118.68 120.97 1j2t s LEU 90 Ca 0.21 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1j2t s LEU 90 Cb -0.11 -3.73 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1j2t s LEU 90 CO 0.12 -0.33 1.09 -1.81 0.23 0.00 0.00 176.35 175.65 1j2t s ASP 91 N -3.39 4.75 0.16 2.29 -0.00 -1.26 -3.76 116.67 115.45 1j2t s ASP 91 Ca 0.46 1.84 -0.16 0.00 -0.00 0.00 0.00 52.55 54.69 1j2t s ASP 91 Cb -0.10 -2.52 0.06 0.00 -0.00 0.00 0.00 42.92 40.36 1j2t s ASP 91 CO 0.33 -1.87 1.76 1.23 -0.00 0.00 0.00 175.17 176.62 1j2t h GLY 92 N -0.81 0.49 1.25 0.21 0.00 -1.98 -2.25 103.07 99.98 1j2t h GLY 92 Ca -0.44 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.81 1j2t h GLY 92 CO 0.53 0.05 0.48 0.00 0.00 0.00 0.00 176.54 177.59 1j2t h ALA 93 N 1.23 1.52 -0.22 3.60 0.00 -1.99 -0.80 119.26 122.60 1j2t h ALA 93 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1j2t h ALA 93 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1j2t h ALA 93 CO -0.15 0.43 0.06 1.15 0.00 0.00 0.00 179.25 180.73 1j2t h THR 94 N 0.94 1.20 -0.18 0.00 2.02 -1.79 -0.68 112.91 114.41 1j2t h THR 94 Ca 0.27 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1j2t h THR 94 Cb -0.05 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1j2t h THR 94 CO -0.07 0.21 -0.04 0.25 0.37 0.00 0.00 175.52 176.24 1j2t h LEU 95 N 0.18 0.35 -0.26 2.58 5.85 -1.09 -1.55 115.31 121.38 1j2t h LEU 95 Ca 0.07 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1j2t h LEU 95 Cb 0.26 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1j2t h LEU 95 CO -0.00 0.63 -0.07 0.74 -0.34 0.00 0.00 178.44 179.40 1j2t h THR 96 N 0.07 0.72 -0.11 1.05 2.02 -1.19 -1.90 112.91 113.57 1j2t h THR 96 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1j2t h THR 96 Cb 0.47 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1j2t h THR 96 CO 0.02 0.00 -0.01 1.23 0.37 0.00 0.00 175.52 177.12 1j2t h GLY 97 N -0.02 0.17 0.80 2.16 0.00 -0.97 -0.93 103.07 104.27 1j2t h GLY 97 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1j2t h GLY 97 CO -0.27 0.07 -0.19 -0.84 0.00 0.00 0.00 176.54 175.31 1j2t h THR 98 N 0.15 1.34 -0.54 4.70 2.02 -0.59 -0.28 112.91 119.71 1j2t h THR 98 Ca 0.04 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1j2t h THR 98 Cb 0.13 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1j2t h THR 98 CO 0.00 0.41 0.24 0.58 0.37 0.00 0.00 175.52 177.12 1j2t h VAL 99 N 0.09 1.21 -0.26 3.16 2.07 -1.11 -2.00 116.25 119.41 1j2t h VAL 99 Ca 0.03 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1j2t h VAL 99 Cb 0.73 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1j2t h VAL 99 CO 0.05 0.25 0.17 -0.61 0.02 0.00 0.00 177.57 177.44 1j2t h GLN 100 N 0.73 0.33 -0.67 1.57 4.15 -1.05 -1.72 115.11 118.44 1j2t h GLN 100 Ca 0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1j2t h GLN 100 Cb 0.16 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1j2t h GLN 100 CO -0.02 0.22 0.39 -0.44 -1.93 0.00 0.00 178.83 177.05 1j2t h ASP 101 N 0.34 0.83 -0.49 -0.69 3.32 -0.89 -1.77 116.42 117.06 1j2t h ASP 101 Ca 0.10 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1j2t h ASP 101 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1j2t h ASP 101 CO -0.03 0.67 0.05 0.40 -1.72 0.00 0.00 179.24 178.61 1j2t h ILE 102 N 0.92 1.26 -0.48 0.35 2.04 -1.19 -1.71 117.51 118.69 1j2t h ILE 102 Ca 0.24 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1j2t h ILE 102 Cb 0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1j2t h ILE 102 CO -0.04 0.35 0.19 0.40 0.00 0.00 0.00 178.15 179.04 1j2t h ILE 103 N 0.71 1.21 -0.66 -0.67 2.04 -1.12 -0.62 117.51 118.40 1j2t h ILE 103 Ca 0.15 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.42 1j2t h ILE 103 Cb 0.44 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1j2t h ILE 103 CO 0.02 0.25 0.31 -0.09 0.00 0.00 0.00 178.15 178.63 1j2t h ARG 104 N 0.64 0.52 -0.31 2.37 2.43 -1.16 -1.12 114.38 117.75 1j2t h ARG 104 Ca 0.16 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1j2t h ARG 104 Cb 0.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1j2t h ARG 104 CO -0.01 0.35 -0.17 0.93 -1.51 0.00 0.00 179.97 179.55 1j2t h GLU 105 N 0.54 0.67 -0.82 0.20 4.39 -0.93 -1.81 114.58 116.82 1j2t h GLU 105 Ca 0.32 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1j2t h GLU 105 Cb 0.34 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1j2t h GLU 105 CO -0.26 0.90 0.54 -0.07 -1.16 0.00 0.00 179.01 178.95 1j2t h LEU 106 N 0.43 0.95 -0.83 1.33 3.38 -0.83 -1.25 115.31 118.50 1j2t h LEU 106 Ca 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1j2t h LEU 106 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1j2t h LEU 106 CO 0.05 0.69 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 1j2t h ALA 107 N 1.48 1.02 -0.98 1.53 0.00 -0.96 -1.50 119.26 119.84 1j2t h ALA 107 Ca 0.30 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j2t h ALA 107 Cb -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1j2t h ALA 107 CO -0.06 0.60 0.65 -0.09 0.00 0.00 0.00 179.25 180.35 1j2t h ARG 108 N 0.80 1.29 0.00 0.00 2.43 -0.39 -1.38 114.38 117.13 1j2t h ARG 108 Ca 0.15 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1j2t h ARG 108 Cb 0.50 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1j2t h ARG 108 CO 0.02 0.86 -0.02 0.45 -1.51 0.00 0.00 179.97 179.77 1j2t h HIS 109 N 1.33 0.00 0.00 2.20 3.86 -0.78 -3.46 115.15 118.30 1j2t h HIS 109 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1j2t h HIS 109 Cb -0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1j2t h HIS 109 CO -0.00 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1j2t n GLY 110 N -0.65 0.65 3.77 2.45 0.00 -0.52 -4.97 105.19 105.92 1j2t n GLY 110 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1j2t n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2t s ALA 111 N -2.00 3.05 0.00 4.61 0.00 -0.61 -4.94 121.76 121.86 1j2t s ALA 111 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1j2t s ALA 111 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1j2t s ALA 111 CO 0.00 -0.59 0.45 0.54 0.00 0.00 0.00 175.76 176.16 1j2t n ARG 112 N -0.24 0.36 -3.78 0.00 5.12 -1.26 -4.19 116.66 112.66 1j2t n ARG 112 Ca 0.06 -0.52 -0.25 0.00 -1.93 0.00 0.00 57.85 55.21 1j2t n ARG 112 Cb 0.47 -0.60 -0.17 0.00 -1.16 0.00 0.00 32.46 31.00 1j2t n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j2t s ARG 113 N -0.14 0.78 -0.03 5.56 0.52 -1.26 -1.20 118.95 123.18 1j2t s ARG 113 Ca 0.00 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.10 1j2t s ARG 113 Cb 0.00 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 34.06 1j2t s ARG 113 CO 0.00 -0.40 -0.05 -1.17 0.02 0.00 0.00 175.30 173.70 1j2t s LEU 114 N 1.89 1.53 -0.22 2.53 2.96 -0.86 -1.29 118.68 125.21 1j2t s LEU 114 Ca 0.03 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1j2t s LEU 114 Cb -0.14 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1j2t s LEU 114 CO -0.07 -0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.25 1j2t s VAL 115 N 0.60 3.67 -0.35 1.68 1.01 0.65 -0.98 120.40 126.69 1j2t s VAL 115 Ca -0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1j2t s VAL 115 Cb -0.11 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1j2t s VAL 115 CO 0.00 0.41 0.31 -0.76 0.00 0.00 0.00 175.10 175.07 1j2t s LEU 116 N 1.38 4.55 -0.43 3.92 1.43 0.21 -0.16 118.68 129.58 1j2t s LEU 116 Ca 0.05 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1j2t s LEU 116 Cb -0.14 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.92 1j2t s LEU 116 CO -0.01 -0.32 0.28 -0.32 0.23 0.00 0.00 176.35 176.21 1j2t s MET 117 N 1.88 2.53 0.25 1.70 1.75 -0.18 -1.45 119.30 125.79 1j2t s MET 117 Ca 0.09 -1.57 -0.29 0.00 -1.25 0.00 0.00 55.69 52.66 1j2t s MET 117 Cb -0.17 -3.81 -0.09 0.00 2.84 0.00 0.00 34.83 33.60 1j2t s MET 117 CO 0.11 -1.03 0.96 1.21 -0.65 0.00 0.00 175.02 175.62 1j2t s ASN 118 N 2.27 7.57 0.00 1.11 2.47 0.73 -1.08 114.94 128.02 1j2t s ASN 118 Ca 0.04 1.97 0.00 0.00 0.42 0.00 0.00 52.86 55.29 1j2t s ASN 118 Cb -0.24 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 36.95 1j2t s ASN 118 CO 0.01 0.10 0.34 0.61 -3.72 0.00 0.00 177.10 174.44 1j2t n GLY 119 N 1.36 -0.70 2.95 1.21 0.00 0.03 -3.10 105.19 106.94 1j2t n GLY 119 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1j2t n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j2t s HIS 120 N -0.20 2.05 0.28 1.61 5.65 -1.25 -4.66 115.29 118.77 1j2t s HIS 120 Ca 0.00 -1.30 0.01 0.00 0.25 0.00 0.00 55.06 54.02 1j2t s HIS 120 Cb 0.00 -1.48 0.66 0.00 -1.18 0.00 0.00 32.58 30.57 1j2t s HIS 120 CO 0.00 -0.67 1.66 -0.92 -0.65 0.00 0.00 174.74 174.16 1j2t h TYR 121 N 8.05 0.39 0.00 3.88 3.20 -1.94 -1.03 116.97 129.52 1j2t h TYR 121 Ca -0.28 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1j2t h TYR 121 Cb 1.11 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1j2t h TYR 121 CO 0.48 -0.15 0.00 0.39 -1.64 0.00 0.00 178.16 177.23 1j2t n GLU 122 N -5.18 0.18 0.19 1.82 4.71 -1.26 -3.49 120.64 117.61 1j2t n GLU 122 Ca 0.20 0.40 0.05 0.00 -0.01 0.00 0.00 57.16 57.80 1j2t n GLU 122 Cb 0.63 -1.84 0.34 0.00 -1.01 0.00 0.00 31.44 29.56 1j2t n GLU 122 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1j2t h ASN 123 N 0.00 0.00 -0.51 1.62 2.35 -1.51 -3.40 115.58 114.13 1j2t h ASN 123 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1j2t h ASN 123 Cb 0.37 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.63 1j2t h ASN 123 CO 0.00 0.39 -0.36 0.28 -1.65 0.00 0.00 177.43 176.10 1j2t h SER 124 N 0.00 -1.21 0.50 5.81 0.02 -1.75 -1.66 113.55 115.26 1j2t h SER 124 Ca -0.00 0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1j2t h SER 124 Cb 0.85 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1j2t h SER 124 CO 0.05 -0.32 -0.35 0.24 -1.14 0.00 0.00 176.83 175.31 1j2t h MET 125 N -0.22 0.00 -0.01 3.45 2.86 -1.89 -0.59 114.93 118.52 1j2t h MET 125 Ca 0.20 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.65 1j2t h MET 125 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1j2t h MET 125 CO -0.63 0.35 -0.84 0.74 1.06 0.00 0.00 176.91 177.59 1j2t h PHE 126 N 0.00 0.33 -0.33 -0.22 -1.00 -1.62 -1.38 116.94 112.72 1j2t h PHE 126 Ca -0.00 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 1j2t h PHE 126 Cb 0.69 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1j2t h PHE 126 CO 0.00 0.96 0.11 0.82 -1.61 0.00 0.00 178.31 178.59 1j2t h ILE 127 N 0.13 1.20 -0.48 -0.55 2.04 -0.79 -1.30 117.51 117.76 1j2t h ILE 127 Ca -0.04 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.25 1j2t h ILE 127 Cb 1.45 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1j2t h ILE 127 CO 0.13 0.22 0.14 0.58 0.00 0.00 0.00 178.15 179.22 1j2t h VAL 128 N 0.37 0.79 -0.63 1.67 2.07 -0.97 -0.31 116.25 119.24 1j2t h VAL 128 Ca 0.11 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1j2t h VAL 128 Cb 0.23 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1j2t h VAL 128 CO -0.00 0.05 0.06 -0.08 0.02 0.00 0.00 177.57 177.61 1j2t h GLU 129 N 0.29 1.08 -0.66 1.57 4.57 -1.12 -0.89 114.58 119.42 1j2t h GLU 129 Ca 0.24 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1j2t h GLU 129 Cb 0.28 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 1j2t h GLU 129 CO -0.27 1.02 0.42 0.78 -1.18 0.00 0.00 179.01 179.78 1j2t h GLY 130 N 0.99 0.95 0.98 1.92 0.00 -0.65 -0.93 103.07 106.33 1j2t h GLY 130 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1j2t h GLY 130 CO 0.02 0.28 0.10 -2.22 0.00 0.00 0.00 176.54 174.72 1j2t h ILE 131 N 0.83 1.06 -0.42 2.60 2.04 -0.72 -1.46 117.51 121.45 1j2t h ILE 131 Ca 0.26 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1j2t h ILE 131 Cb -0.01 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1j2t h ILE 131 CO -0.09 0.06 0.24 -0.78 0.00 0.00 0.00 178.15 177.58 1j2t h ASP 132 N 0.19 0.51 -0.71 1.72 1.82 -0.73 0.26 116.42 119.48 1j2t h ASP 132 Ca 0.06 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 1j2t h ASP 132 Cb 0.01 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 1j2t h ASP 132 CO -0.01 0.43 0.19 -0.07 -1.61 0.00 0.00 179.24 178.18 1j2t h LEU 133 N 0.55 1.05 -0.32 2.28 3.38 -1.14 -0.36 115.31 120.74 1j2t h LEU 133 Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1j2t h LEU 133 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1j2t h LEU 133 CO -0.03 1.00 0.08 0.00 0.09 0.00 0.00 178.44 179.58 1j2t h ALA 134 N 1.09 0.42 -0.39 1.53 0.00 -0.93 -2.34 119.26 118.65 1j2t h ALA 134 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1j2t h ALA 134 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1j2t h ALA 134 CO -0.00 0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.24 1j2t h LEU 135 N 0.36 0.60 -0.17 0.00 3.38 -0.76 -1.05 115.31 117.67 1j2t h LEU 135 Ca 0.10 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1j2t h LEU 135 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1j2t h LEU 135 CO 0.00 0.69 0.07 -0.09 0.09 0.00 0.00 178.44 179.19 1j2t h ARG 136 N 0.59 0.15 -0.85 1.13 2.43 -0.94 -1.52 114.38 115.37 1j2t h ARG 136 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1j2t h ARG 136 Cb 0.41 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1j2t h ARG 136 CO 0.02 0.10 0.48 0.93 -1.51 0.00 0.00 179.97 179.99 1j2t h GLU 137 N 0.15 1.18 -0.90 0.20 5.08 -1.03 -2.54 114.58 116.73 1j2t h GLU 137 Ca 0.07 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1j2t h GLU 137 Cb 0.03 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1j2t h GLU 137 CO -0.07 0.86 0.51 -0.07 -1.00 0.00 0.00 179.01 179.24 1j2t h LEU 138 N 1.18 1.10 -1.04 1.33 3.38 -0.84 -1.48 115.31 118.95 1j2t h LEU 138 Ca 0.30 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1j2t h LEU 138 Cb 0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1j2t h LEU 138 CO -0.05 0.87 0.65 -0.09 0.09 0.00 0.00 178.44 179.91 1j2t h ARG 139 N 1.25 1.25 0.00 1.13 2.43 -0.99 0.19 114.38 119.63 1j2t h ARG 139 Ca 0.32 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1j2t h ARG 139 Cb -0.00 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1j2t h ARG 139 CO -0.05 0.82 -0.01 1.88 -1.51 0.00 0.00 179.97 181.10 1j2t h TYR 140 N 1.28 0.00 -0.63 2.20 0.05 -0.87 -0.55 116.97 118.46 1j2t h TYR 140 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1j2t h TYR 140 Cb -0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1j2t h TYR 140 CO -0.00 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.12 1j2t n ALA 141 N -2.38 2.88 -1.39 3.88 0.00 -0.45 -4.93 120.51 118.12 1j2t n ALA 141 Ca -0.03 -1.39 -0.07 0.00 0.00 0.00 0.00 53.44 51.95 1j2t n ALA 141 Cb 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1j2t n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2t n GLY 142 N 1.23 0.77 3.41 0.00 0.00 -0.22 -5.01 105.19 105.37 1j2t n GLY 142 Ca 0.24 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1j2t n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2t s ILE 143 N -2.29 4.29 0.00 -0.61 1.01 0.53 -4.93 121.20 119.21 1j2t s ILE 143 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1j2t s ILE 143 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1j2t s ILE 143 CO 0.00 0.18 0.65 1.67 0.00 0.00 0.00 174.94 177.44 1j2t n GLN 144 N 4.92 1.03 -0.46 2.79 7.27 -1.26 -2.92 117.38 128.75 1j2t n GLN 144 Ca -0.15 -0.87 0.08 0.00 0.07 0.00 0.00 57.00 56.13 1j2t n GLN 144 Cb 0.50 -0.83 0.27 0.00 2.41 0.00 0.00 30.24 32.58 1j2t n GLN 144 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1j2t n ASP 145 N -0.21 4.04 -4.68 1.69 3.85 -1.26 -4.92 116.55 115.05 1j2t n ASP 145 Ca 0.00 -2.63 -0.40 0.00 -0.71 0.00 0.00 54.79 51.05 1j2t n ASP 145 Cb 0.24 -0.49 -0.05 0.00 -1.35 0.00 0.00 41.12 39.47 1j2t n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1j2t s PHE 146 N -2.15 3.45 -0.03 2.11 2.19 -1.26 -4.85 117.98 117.44 1j2t s PHE 146 Ca 0.41 1.05 0.06 0.00 0.33 0.00 0.00 56.93 58.78 1j2t s PHE 146 Cb 0.29 -2.80 -0.01 0.00 -1.31 0.00 0.00 43.02 39.19 1j2t s PHE 146 CO 0.15 -0.07 -0.22 0.21 1.83 0.00 0.00 175.22 177.11 1j2t s LYS 147 N 1.49 2.03 -0.08 10.12 2.20 -0.34 -5.03 119.74 130.13 1j2t s LYS 147 Ca 0.32 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1j2t s LYS 147 Cb -0.16 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 1j2t s LYS 147 CO 0.13 0.42 -0.20 0.08 -0.36 0.00 0.00 175.35 175.42 1j2t s VAL 148 N -0.33 1.70 -0.18 4.02 1.01 -1.26 -2.03 120.40 123.32 1j2t s VAL 148 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1j2t s VAL 148 Cb -0.11 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1j2t s VAL 148 CO 0.01 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 1j2t s VAL 149 N 0.32 3.84 -0.03 2.92 1.01 -0.15 -5.00 120.40 123.31 1j2t s VAL 149 Ca -0.14 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1j2t s VAL 149 Cb -0.16 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1j2t s VAL 149 CO 0.06 0.45 -0.24 0.54 0.00 0.00 0.00 175.10 175.91 1j2t s VAL 150 N 0.80 1.89 0.06 2.92 0.11 -1.26 -0.62 120.40 124.31 1j2t s VAL 150 Ca -0.00 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 57.83 1j2t s VAL 150 Cb -0.14 -1.58 0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1j2t s VAL 150 CO 0.02 0.53 0.49 -1.48 -3.33 0.00 0.00 175.10 171.33 1j2t s LEU 151 N -0.41 0.06 -0.23 2.54 0.05 -0.53 -4.97 118.68 115.19 1j2t s LEU 151 Ca 0.05 0.06 -0.08 0.00 0.05 0.00 0.00 54.13 54.21 1j2t s LEU 151 Cb -0.11 2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 46.03 1j2t s LEU 151 CO 0.01 -0.74 0.09 -0.44 -0.55 0.00 0.00 176.35 174.72 1j2t s SER 152 N -2.14 5.49 0.44 1.48 0.01 -1.26 -0.19 113.70 117.54 1j2t s SER 152 Ca -0.04 -0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.28 1j2t s SER 152 Cb -0.00 -1.98 1.04 0.00 0.21 0.00 0.00 66.02 65.28 1j2t s SER 152 CO -0.04 0.03 2.02 0.10 0.41 0.00 0.00 173.24 175.76 1j2t h TYR 153 N 7.77 0.37 0.00 2.43 -0.00 -1.91 -1.70 116.97 123.93 1j2t h TYR 153 Ca -0.37 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.33 1j2t h TYR 153 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.78 1j2t h TYR 153 CO 0.66 0.20 -0.17 0.11 -0.00 0.00 0.00 178.16 178.96 1j2t h TRP 154 N 0.37 0.00 0.00 0.10 0.09 -1.95 -2.49 115.95 112.07 1j2t h TRP 154 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 1j2t h TRP 154 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.59 1j2t h TRP 154 CO -0.00 0.17 0.00 -0.44 0.09 0.00 0.00 178.44 178.26 1j2t h ASP 155 N 0.00 0.00 0.55 0.11 3.32 -1.74 -1.27 116.42 117.40 1j2t h ASP 155 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j2t h ASP 155 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1j2t h ASP 155 CO 0.02 0.00 -0.01 0.49 -1.72 0.00 0.00 179.24 178.02 1j2t n PHE 156 N -2.65 0.00 -2.92 4.55 3.01 -0.94 -4.36 117.46 114.15 1j2t n PHE 156 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1j2t n PHE 156 Cb 0.08 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 1j2t n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j2t s VAL 157 N -2.57 4.77 -0.06 -4.37 1.01 -0.48 -4.71 120.40 114.00 1j2t s VAL 157 Ca 0.29 -1.76 0.06 0.00 0.00 0.00 0.00 61.98 60.57 1j2t s VAL 157 Cb 0.20 -4.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.68 1j2t s VAL 157 CO 0.46 -1.53 0.05 0.29 0.00 0.00 0.00 175.10 174.37 1j2t n LYS 158 N 6.42 2.40 -1.66 2.72 5.02 -1.26 -4.90 118.16 126.90 1j2t n LYS 158 Ca 0.26 -0.01 -0.47 0.00 -2.02 0.00 0.00 58.31 56.07 1j2t n LYS 158 Cb 0.48 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 1j2t n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j2t n ASP 159 N -2.18 3.49 -0.06 4.39 2.03 -1.26 -4.82 116.55 118.14 1j2t n ASP 159 Ca -0.10 0.89 0.23 0.00 0.52 0.00 0.00 54.79 56.34 1j2t n ASP 159 Cb 0.64 -1.40 0.70 0.00 -0.72 0.00 0.00 41.12 40.34 1j2t n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j2t h PRO 160 N 9.92 0.00 -0.52 -0.67 0.11 -1.99 0.37 132.00 139.23 1j2t h PRO 160 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1j2t h PRO 160 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1j2t h PRO 160 CO 0.95 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.61 1j2t h ALA 161 N 1.67 0.78 -0.13 -0.75 0.00 -1.99 -0.57 119.26 118.26 1j2t h ALA 161 Ca 0.31 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1j2t h ALA 161 Cb 1.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1j2t h ALA 161 CO -0.00 0.67 -0.21 0.28 0.00 0.00 0.00 179.25 179.98 1j2t h VAL 162 N 0.88 1.37 -0.74 0.00 2.07 -1.34 -2.15 116.25 116.33 1j2t h VAL 162 Ca 0.13 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.28 1j2t h VAL 162 Cb 0.70 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1j2t h VAL 162 CO 0.05 0.43 0.41 0.40 0.02 0.00 0.00 177.57 178.88 1j2t h ILE 163 N -0.02 0.92 -0.47 4.57 1.08 -1.14 -1.99 117.51 120.46 1j2t h ILE 163 Ca 0.01 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 64.15 1j2t h ILE 163 Cb 0.79 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 1j2t h ILE 163 CO 0.05 0.13 -0.05 -0.61 -0.69 0.00 0.00 178.15 176.98 1j2t h GLN 164 N 0.72 0.81 -0.82 2.37 4.15 -1.01 0.22 115.11 121.54 1j2t h GLN 164 Ca 0.35 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.56 1j2t h GLN 164 Cb 0.29 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1j2t h GLN 164 CO -0.22 0.84 0.54 1.96 -1.93 0.00 0.00 178.83 180.02 1j2t h GLN 165 N 0.74 1.01 0.14 1.69 1.08 -0.69 -2.02 115.11 117.07 1j2t h GLN 165 Ca 0.14 -0.06 -0.31 0.00 -1.45 0.00 0.00 58.65 56.96 1j2t h GLN 165 Cb 0.52 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1j2t h GLN 165 CO 0.03 0.67 -1.53 -0.07 -0.95 0.00 0.00 178.83 176.97 1j2t h LEU 166 N 1.04 0.47 -6.03 1.46 3.38 -1.02 -3.41 115.31 111.20 1j2t h LEU 166 Ca 0.32 -0.62 -0.58 0.00 0.09 0.00 0.00 57.88 57.09 1j2t h LEU 166 Cb -0.00 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 40.18 1j2t h LEU 166 CO -0.09 1.52 -0.82 -1.22 0.09 0.00 0.00 178.44 177.92 1j2t n TYR 167 N -3.50 2.03 0.17 1.13 4.02 0.74 -4.94 117.16 116.80 1j2t n TYR 167 Ca -0.17 -3.91 0.16 0.00 -0.01 0.00 0.00 57.90 53.97 1j2t n TYR 167 Cb 1.05 -0.47 0.76 0.00 -0.02 0.00 0.00 39.34 40.66 1j2t n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1j2t h PRO 168 N 3.93 0.00 -0.08 -0.72 0.13 -1.59 0.98 132.00 134.64 1j2t h PRO 168 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1j2t h PRO 168 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1j2t h PRO 168 CO 0.68 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 1j2t n GLU 169 N -4.11 1.81 0.00 0.86 1.02 -1.26 -5.00 120.64 113.95 1j2t n GLU 169 Ca 0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 1j2t n GLU 169 Cb 0.33 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1j2t n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2t n GLY 170 N 1.20 3.42 3.69 0.62 0.00 0.34 -5.05 105.19 109.41 1j2t n GLY 170 Ca 0.18 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1j2t n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2t s PHE 171 N -1.11 3.49 -1.03 1.61 5.36 -1.26 -4.85 117.98 120.19 1j2t s PHE 171 Ca 0.00 1.34 0.19 0.00 -0.96 0.00 0.00 56.93 57.51 1j2t s PHE 171 Cb 0.00 -3.00 -0.19 0.00 -0.34 0.00 0.00 43.02 39.49 1j2t s PHE 171 CO 0.00 -0.15 0.85 1.28 -1.46 0.00 0.00 175.22 175.74 1j2t n LEU 172 N 4.76 1.03 0.00 6.12 4.77 -1.26 -5.08 117.00 127.35 1j2t n LEU 172 Ca 0.04 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1j2t n LEU 172 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1j2t n LEU 172 CO 0.49 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1j2t n GLY 173 N 1.45 3.80 0.20 -0.72 0.00 -1.26 -4.76 105.19 103.89 1j2t n GLY 173 Ca 0.04 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.58 1j2t n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1j2t h TRP 174 N 0.00 0.00 -0.36 1.61 -0.00 -1.98 -2.90 115.95 112.33 1j2t h TRP 174 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 1j2t h TRP 174 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1j2t h TRP 174 CO 0.00 0.00 -0.31 0.38 -0.00 0.00 0.00 178.44 178.51 1j2t h ASP 175 N 0.00 0.89 0.45 -3.49 -0.00 -1.89 -3.18 116.42 109.20 1j2t h ASP 175 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1j2t h ASP 175 Cb 0.50 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 1j2t h ASP 175 CO 0.00 1.16 -0.11 -0.38 -0.00 0.00 0.00 179.24 179.90 1j2t n ILE 176 N -4.17 0.00 -2.67 4.15 5.41 -1.11 -4.04 119.36 116.94 1j2t n ILE 176 Ca -0.03 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.26 1j2t n ILE 176 Cb 0.49 -0.16 -0.03 0.00 -0.71 0.00 0.00 39.64 39.24 1j2t n ILE 176 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1j2t s GLU 177 N -2.57 3.41 -0.12 0.38 0.41 -1.15 -3.99 118.70 115.07 1j2t s GLU 177 Ca 0.26 -0.95 -0.04 0.00 -0.41 0.00 0.00 54.97 53.84 1j2t s GLU 177 Cb 0.20 -4.78 0.05 0.00 -1.78 0.00 0.00 34.13 27.82 1j2t s GLU 177 CO 0.49 -2.06 0.07 -1.58 -0.49 0.00 0.00 175.26 171.70 1j2t s HIS 178 N 4.64 0.21 -0.93 1.61 5.65 -1.26 -4.83 115.29 120.38 1j2t s HIS 178 Ca 0.37 -0.12 0.00 0.00 0.25 0.00 0.00 55.06 55.56 1j2t s HIS 178 Cb -0.06 -0.63 0.00 0.00 -1.18 0.00 0.00 32.58 30.71 1j2t s HIS 178 CO 0.00 -0.39 0.00 0.41 -0.65 0.00 0.00 174.74 174.11 1j2t n GLY 179 N 5.27 1.02 0.00 1.59 0.00 -1.26 -2.16 105.19 109.65 1j2t n GLY 179 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1j2t n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2t n GLY 180 N -1.46 1.57 0.33 -0.02 0.00 -1.26 -4.43 105.19 99.91 1j2t n GLY 180 Ca -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1j2t n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j2t h VAL 181 N 0.00 1.19 0.53 1.61 2.07 -1.85 -1.88 116.25 117.91 1j2t h VAL 181 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1j2t h VAL 181 Cb 0.00 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1j2t h VAL 181 CO 0.00 0.20 -0.25 0.15 0.02 0.00 0.00 177.57 177.69 1j2t h PHE 182 N 0.88 -0.66 -0.70 1.57 3.04 -1.95 -1.75 116.94 117.38 1j2t h PHE 182 Ca 0.23 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 1j2t h PHE 182 Cb -0.00 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 1j2t h PHE 182 CO 0.00 -0.39 0.16 0.93 -2.02 0.00 0.00 178.31 176.99 1j2t h GLU 183 N -1.17 1.13 -0.48 1.11 5.08 -1.92 -2.35 114.58 115.97 1j2t h GLU 183 Ca -0.07 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1j2t h GLU 183 Cb 0.57 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1j2t h GLU 183 CO 0.12 1.00 -0.07 1.15 -1.00 0.00 0.00 179.01 180.21 1j2t h THR 184 N 1.07 1.26 -0.37 1.13 2.02 -1.41 -1.01 112.91 115.60 1j2t h THR 184 Ca 0.22 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 1j2t h THR 184 Cb 0.39 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1j2t h THR 184 CO 0.00 0.40 0.07 0.28 0.37 0.00 0.00 175.52 176.65 1j2t h SER 185 N 0.78 0.57 -0.74 4.18 0.02 -1.17 0.47 113.55 117.66 1j2t h SER 185 Ca 0.14 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1j2t h SER 185 Cb 0.57 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1j2t h SER 185 CO 0.03 0.67 0.43 -0.07 -1.14 0.00 0.00 176.83 176.76 1j2t h LEU 186 N 0.45 0.90 -0.78 5.07 3.38 -1.16 -1.95 115.31 121.22 1j2t h LEU 186 Ca 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1j2t h LEU 186 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1j2t h LEU 186 CO 0.00 0.72 0.02 0.24 0.09 0.00 0.00 178.44 179.51 1j2t h MET 187 N 1.02 0.94 -0.56 1.13 2.86 -0.95 0.20 114.93 119.57 1j2t h MET 187 Ca 0.26 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1j2t h MET 187 Cb -0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1j2t h MET 187 CO -0.05 0.92 0.32 -0.07 1.06 0.00 0.00 176.91 179.10 1j2t h LEU 188 N 0.87 0.66 -0.00 1.22 3.38 -0.33 0.38 115.31 121.49 1j2t h LEU 188 Ca 0.16 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 1j2t h LEU 188 Cb 0.49 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1j2t h LEU 188 CO 0.02 0.52 -1.12 0.00 0.09 0.00 0.00 178.44 177.95 1j2t h ALA 189 N 1.59 0.20 0.02 1.53 0.00 -0.83 -3.35 119.26 118.43 1j2t h ALA 189 Ca 0.20 -0.80 -0.39 0.00 0.00 0.00 0.00 54.91 53.92 1j2t h ALA 189 Cb -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1j2t h ALA 189 CO -0.04 0.88 -2.37 1.28 0.00 0.00 0.00 179.25 179.01 1j2t n LEU 190 N -3.64 2.78 -3.19 0.00 4.77 0.01 -4.79 117.00 112.94 1j2t n LEU 190 Ca -0.08 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 1j2t n LEU 190 Cb 0.94 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1j2t n LEU 190 CO 0.53 0.87 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.99 1j2t n TYR 191 N -3.44 -0.03 0.08 -1.77 4.01 0.13 -4.98 117.16 111.16 1j2t n TYR 191 Ca -0.44 -3.72 0.17 0.00 -0.16 0.00 0.00 57.90 53.75 1j2t n TYR 191 Cb 0.98 -0.38 0.68 0.00 -0.31 0.00 0.00 39.34 40.31 1j2t n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j2t h PRO 192 N 3.34 0.00 0.00 -0.72 0.13 -1.63 -0.16 132.00 132.95 1j2t h PRO 192 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1j2t h PRO 192 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1j2t h PRO 192 CO 0.48 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 1j2t n ASP 193 N -4.41 0.54 -1.00 1.44 10.43 -1.26 -2.23 116.55 120.06 1j2t n ASP 193 Ca 0.06 0.64 0.11 0.00 2.57 0.00 0.00 54.79 58.17 1j2t n ASP 193 Cb 0.45 -0.75 0.25 0.00 1.84 0.00 0.00 41.12 42.91 1j2t n ASP 193 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1j2t n LEU 194 N -2.10 2.99 -4.09 0.64 4.77 -0.07 -4.88 117.00 114.26 1j2t n LEU 194 Ca 0.02 -1.27 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 1j2t n LEU 194 Cb 0.21 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1j2t n LEU 194 CO 0.18 0.64 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.72 1j2t s VAL 195 N -1.59 1.04 -0.41 4.08 1.01 -0.95 -2.96 120.40 120.62 1j2t s VAL 195 Ca 0.37 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1j2t s VAL 195 Cb 0.21 -0.87 0.13 0.00 0.00 0.00 0.00 36.38 35.85 1j2t s VAL 195 CO 0.30 0.30 0.20 -0.62 0.00 0.00 0.00 175.10 175.28 1j2t s ASP 196 N -0.28 3.79 0.55 3.32 -1.08 -0.05 -4.95 116.67 117.96 1j2t s ASP 196 Ca 0.04 -2.44 0.26 0.00 -0.52 0.00 0.00 52.55 49.89 1j2t s ASP 196 Cb -0.05 -1.05 1.47 0.00 -1.46 0.00 0.00 42.92 41.82 1j2t s ASP 196 CO -0.00 -0.30 2.03 0.25 0.52 0.00 0.00 175.17 177.67 1j2t h LEU 197 N 7.01 0.00 -1.95 -1.34 5.85 -1.96 0.45 115.31 123.37 1j2t h LEU 197 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1j2t h LEU 197 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1j2t h LEU 197 CO 0.49 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.03 1j2t h ASP 198 N 0.00 0.00 0.02 1.25 3.32 -1.95 -2.21 116.42 116.85 1j2t h ASP 198 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1j2t h ASP 198 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1j2t h ASP 198 CO -0.00 0.00 -0.08 0.54 -1.72 0.00 0.00 179.24 177.98 1j2t n ARG 199 N -2.75 1.67 -1.80 3.56 1.74 0.15 -4.93 116.66 114.30 1j2t n ARG 199 Ca -0.01 -1.14 -0.42 0.00 -0.77 0.00 0.00 57.85 55.52 1j2t n ARG 199 Cb 0.13 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 1j2t n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j2t s VAL 200 N -2.11 2.14 -0.36 1.55 1.01 -0.83 -4.30 120.40 117.49 1j2t s VAL 200 Ca 0.32 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 1j2t s VAL 200 Cb 0.20 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1j2t s VAL 200 CO 0.37 0.02 0.37 -0.69 0.00 0.00 0.00 175.10 175.17 1j2t s VAL 201 N 0.26 5.16 -1.33 2.92 1.01 -1.26 -5.01 120.40 122.14 1j2t s VAL 201 Ca 0.65 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1j2t s VAL 201 Cb -0.47 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.16 1j2t s VAL 201 CO 0.44 -0.17 1.94 -0.67 0.00 0.00 0.00 175.10 176.64 1j2t n ASP 202 N 5.41 4.70 -4.94 3.32 2.03 -1.26 -4.73 116.55 121.08 1j2t n ASP 202 Ca -0.09 -3.00 -0.24 0.00 0.52 0.00 0.00 54.79 51.98 1j2t n ASP 202 Cb 0.49 -1.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1j2t n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1j2t s HIS 203 N 1.67 3.39 0.55 -0.67 -3.43 -1.26 -5.03 115.29 110.51 1j2t s HIS 203 Ca 0.43 0.35 -0.20 0.00 -0.80 0.00 0.00 55.06 54.85 1j2t s HIS 203 Cb 0.09 -2.11 -0.05 0.00 -1.43 0.00 0.00 32.58 29.08 1j2t s HIS 203 CO -0.02 -0.12 1.18 -1.25 -2.00 0.00 0.00 174.74 172.53 1j2t s PRO 204 N -4.46 3.24 0.38 -0.38 0.04 -1.26 -4.10 135.00 128.45 1j2t s PRO 204 Ca 0.44 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1j2t s PRO 204 Cb -0.10 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1j2t s PRO 204 CO 0.38 -0.98 1.48 -0.35 0.04 0.00 0.00 177.00 177.57 1j2t n PRO 205 N -1.29 2.66 -1.84 0.56 -0.04 -1.26 -4.86 135.00 128.92 1j2t n PRO 205 Ca 0.12 0.93 -0.41 0.00 -0.04 0.00 0.00 63.50 64.10 1j2t n PRO 205 Cb 0.50 -2.66 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 1j2t n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j2t s ALA 206 N -1.11 3.62 0.20 0.55 0.00 0.26 -5.01 121.76 120.27 1j2t s ALA 206 Ca 0.53 1.52 0.11 0.00 0.00 0.00 0.00 51.96 54.13 1j2t s ALA 206 Cb -0.48 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 1j2t s ALA 206 CO 0.64 -0.97 -0.23 0.95 0.00 0.00 0.00 175.76 176.15 1j2t s THR 207 N -0.69 2.31 -0.01 0.00 -4.23 -1.26 -5.02 115.64 106.74 1j2t s THR 207 Ca 0.56 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1j2t s THR 207 Cb -0.46 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1j2t s THR 207 CO 0.56 -0.17 0.15 -0.36 -0.54 0.00 0.00 174.62 174.26 1j2t s PHE 208 N -1.81 -0.00 0.98 3.99 0.40 -1.26 -5.05 117.98 115.23 1j2t s PHE 208 Ca 0.21 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.39 1j2t s PHE 208 Cb -0.07 -0.03 0.18 0.00 0.51 0.00 0.00 43.02 43.61 1j2t s PHE 208 CO 0.10 -0.25 1.09 -1.25 0.70 0.00 0.00 175.22 175.61 1j2t s PRO 209 N -1.13 0.60 -0.01 0.24 0.04 -1.26 -4.88 135.00 128.60 1j2t s PRO 209 Ca -0.12 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.48 1j2t s PRO 209 Cb -0.06 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1j2t s PRO 209 CO 0.01 -2.62 1.71 -0.35 0.04 0.00 0.00 177.00 175.79 1j2t n PRO 210 N -4.11 1.03 -3.89 0.56 -0.04 -1.26 -4.78 135.00 122.52 1j2t n PRO 210 Ca 0.06 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1j2t n PRO 210 Cb 0.57 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 1j2t n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j2t s TYR 211 N -0.07 0.19 0.11 0.54 -0.85 -1.26 -5.18 117.35 110.83 1j2t s TYR 211 Ca 0.01 -0.55 0.10 0.00 -0.52 0.00 0.00 57.07 56.12 1j2t s TYR 211 Cb 0.01 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 1j2t s TYR 211 CO 0.00 -0.87 -0.26 -0.51 -1.52 0.00 0.00 175.55 172.39 1j2t s ASP 212 N -2.95 3.13 -0.06 -0.18 1.11 -1.26 -5.09 116.67 111.38 1j2t s ASP 212 Ca 0.15 -0.71 0.05 0.00 0.18 0.00 0.00 52.55 52.23 1j2t s ASP 212 Cb 0.01 -0.22 -0.00 0.00 1.07 0.00 0.00 42.92 43.78 1j2t s ASP 212 CO 0.01 0.17 -0.21 -0.69 1.18 0.00 0.00 175.17 175.63 1j2t s VAL 213 N -1.03 1.76 0.01 -1.27 1.01 -1.26 -5.13 120.40 114.49 1j2t s VAL 213 Ca 0.12 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1j2t s VAL 213 Cb -0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1j2t s VAL 213 CO 0.05 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 1j2t s PHE 214 N 0.05 1.01 0.66 5.22 0.08 -1.26 -3.80 117.98 119.94 1j2t s PHE 214 Ca -0.07 -0.24 -0.17 0.00 0.12 0.00 0.00 56.93 56.57 1j2t s PHE 214 Cb -0.14 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 1j2t s PHE 214 CO 0.04 -0.01 1.25 -2.14 -0.10 0.00 0.00 175.22 174.26 1j2t s PRO 215 N -0.55 2.50 0.24 0.24 0.02 -1.26 -5.06 135.00 131.13 1j2t s PRO 215 Ca 0.03 1.91 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 1j2t s PRO 215 Cb -0.05 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1j2t s PRO 215 CO 0.00 -1.59 1.67 1.55 -0.33 0.00 0.00 177.00 178.30 1j2t n VAL 216 N -2.11 0.40 -3.34 3.83 3.14 -1.25 -4.95 118.33 114.05 1j2t n VAL 216 Ca 0.15 -0.10 -0.42 0.00 -2.96 0.00 0.00 64.34 61.00 1j2t n VAL 216 Cb 0.49 -1.97 -0.09 0.00 -1.06 0.00 0.00 33.84 31.21 1j2t n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j2t s ASP 217 N 0.91 6.20 0.54 6.55 3.68 -1.26 -4.98 116.67 128.30 1j2t s ASP 217 Ca 0.71 -0.47 0.20 0.00 2.13 0.00 0.00 52.55 55.12 1j2t s ASP 217 Cb -0.50 -2.22 1.43 0.00 -1.45 0.00 0.00 42.92 40.17 1j2t s ASP 217 CO 0.39 -0.50 2.16 -0.65 0.13 0.00 0.00 175.17 176.70 1j2t h PRO 218 N 8.62 0.00 0.00 4.34 0.11 -1.95 -2.12 132.00 141.00 1j2t h PRO 218 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1j2t h PRO 218 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j2t h PRO 218 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 1j2t h ALA 219 N 1.97 1.00 -0.08 -0.75 0.00 -2.00 -2.81 119.26 116.60 1j2t h ALA 219 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j2t h ALA 219 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j2t h ALA 219 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1j2t n ARG 220 N -2.51 1.77 -4.89 0.00 1.74 -0.80 -4.81 116.66 107.17 1j2t n ARG 220 Ca 0.00 -1.14 -0.33 0.00 -0.77 0.00 0.00 57.85 55.62 1j2t n ARG 220 Cb 0.18 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 1j2t n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j2t s THR 221 N -1.91 3.02 0.30 0.55 2.01 -1.06 -4.94 115.64 113.61 1j2t s THR 221 Ca 0.35 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1j2t s THR 221 Cb 0.20 -2.18 -0.12 0.00 0.01 0.00 0.00 72.50 70.40 1j2t s THR 221 CO 0.31 0.57 1.42 -2.65 -0.69 0.00 0.00 174.62 173.58 1j2t n PRO 222 N 2.25 2.29 -0.31 4.92 -0.02 -1.26 -4.88 135.00 138.00 1j2t n PRO 222 Ca -0.17 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1j2t n PRO 222 Cb 0.52 -2.48 0.14 0.00 -0.02 0.00 0.00 33.50 31.67 1j2t n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2t h ALA 223 N 3.66 0.68 0.00 3.55 0.00 -1.90 -0.72 119.26 124.52 1j2t h ALA 223 Ca -0.46 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j2t h ALA 223 Cb 1.26 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1j2t h ALA 223 CO 0.71 -0.42 0.00 -1.35 0.00 0.00 0.00 179.25 178.19 1j2t h PRO 224 N 0.01 0.00 0.00 0.00 0.11 -1.97 -3.46 132.00 126.69 1j2t h PRO 224 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1j2t h PRO 224 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1j2t h PRO 224 CO -0.87 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.33 1j2t n GLY 225 N -0.55 1.04 3.82 -0.55 0.00 -0.28 -3.78 105.19 104.90 1j2t n GLY 225 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j2t n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2t s THR 226 N -2.26 4.42 -0.73 2.61 -4.23 -1.26 -4.39 115.64 109.80 1j2t s THR 226 Ca 0.00 1.44 0.22 0.00 -1.18 0.00 0.00 61.69 62.17 1j2t s THR 226 Cb 0.00 -3.60 -0.18 0.00 1.34 0.00 0.00 72.50 70.06 1j2t s THR 226 CO 0.00 -0.31 0.94 0.18 -0.54 0.00 0.00 174.62 174.90 1j2t n LEU 227 N -0.62 0.67 -3.51 4.79 4.77 -0.92 -4.42 117.00 117.77 1j2t n LEU 227 Ca 0.07 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 1j2t n LEU 227 Cb 0.54 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1j2t n LEU 227 CO 0.37 0.13 0.32 -0.94 -1.33 0.00 0.00 177.39 175.95 1j2t s SER 228 N -3.54 -0.48 0.17 -1.43 1.04 -1.26 -0.58 113.70 107.63 1j2t s SER 228 Ca 0.05 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.21 1j2t s SER 228 Cb 0.15 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 1j2t s SER 228 CO 0.83 -0.86 1.17 -0.55 0.98 0.00 0.00 173.24 174.82 1j2t s SER 229 N -2.44 7.13 -0.15 7.02 0.15 -1.26 -4.06 113.70 120.09 1j2t s SER 229 Ca -0.01 2.16 0.16 0.00 0.70 0.00 0.00 55.95 58.96 1j2t s SER 229 Cb -0.00 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.44 1j2t s SER 229 CO -0.08 -0.34 1.64 0.00 1.20 0.00 0.00 173.24 175.65 1j2t n ALA 230 N 2.66 3.33 -0.34 5.45 0.00 -1.26 -4.05 120.51 126.30 1j2t n ALA 230 Ca 0.04 -1.63 0.12 0.00 0.00 0.00 0.00 53.44 51.98 1j2t n ALA 230 Cb 0.45 -1.06 0.33 0.00 0.00 0.00 0.00 19.45 19.17 1j2t n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j2t h LYS 231 N 3.94 0.76 -0.20 0.00 3.64 -1.93 -1.11 116.57 121.67 1j2t h LYS 231 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1j2t h LYS 231 Cb 1.58 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1j2t h LYS 231 CO 0.31 0.50 0.00 0.25 -2.27 0.00 0.00 179.45 178.24 1j2t n THR 232 N -4.69 0.26 -1.95 1.00 -2.24 -1.26 -4.92 114.28 100.47 1j2t n THR 232 Ca 0.21 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1j2t n THR 232 Cb 0.53 0.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1j2t n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2t s ALA 233 N -1.74 2.51 0.09 6.98 0.00 -0.42 -5.03 121.76 124.14 1j2t s ALA 233 Ca 0.27 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 1j2t s ALA 233 Cb 0.14 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1j2t s ALA 233 CO 0.20 -1.26 0.47 -1.54 0.00 0.00 0.00 175.76 173.63 1j2t s SER 234 N -1.53 -0.36 0.19 0.00 1.04 -1.26 -4.94 113.70 106.83 1j2t s SER 234 Ca 0.79 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 1j2t s SER 234 Cb -0.32 0.49 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1j2t s SER 234 CO 0.35 -0.79 1.84 -0.09 0.98 0.00 0.00 173.24 175.53 1j2t h ARG 235 N 2.56 0.86 -0.73 4.02 2.43 -1.86 -1.16 114.38 120.50 1j2t h ARG 235 Ca -0.32 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1j2t h ARG 235 Cb 1.24 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1j2t h ARG 235 CO 0.43 0.59 0.47 1.49 -1.51 0.00 0.00 179.97 181.44 1j2t h GLU 236 N 0.87 0.91 -0.58 0.20 4.81 -1.96 0.11 114.58 118.93 1j2t h GLU 236 Ca 0.23 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1j2t h GLU 236 Cb -0.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1j2t h GLU 236 CO -0.05 0.60 0.09 0.87 -0.73 0.00 0.00 179.01 179.80 1j2t h LYS 237 N 0.93 0.93 -0.58 1.92 1.57 -1.83 -1.95 116.57 117.57 1j2t h LYS 237 Ca 0.28 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1j2t h LYS 237 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1j2t h LYS 237 CO -0.09 0.86 0.22 0.78 -0.57 0.00 0.00 179.45 180.66 1j2t h GLY 238 N 1.01 0.94 1.26 3.86 0.00 -0.19 -0.73 103.07 109.22 1j2t h GLY 238 Ca 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1j2t h GLY 238 CO 0.01 0.49 0.23 0.83 0.00 0.00 0.00 176.54 178.10 1j2t h GLU 239 N 0.81 0.94 0.11 4.80 5.08 -0.63 0.07 114.58 125.76 1j2t h GLU 239 Ca 0.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1j2t h GLU 239 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1j2t h GLU 239 CO -0.01 0.78 -0.05 1.25 -1.00 0.00 0.00 179.01 179.98 1j2t h LEU 240 N 0.91 -0.13 -0.48 1.33 5.85 -1.03 -2.27 115.31 119.50 1j2t h LEU 240 Ca 0.21 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1j2t h LEU 240 Cb 0.22 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1j2t h LEU 240 CO -0.01 0.10 0.22 0.40 -0.34 0.00 0.00 178.44 178.80 1j2t h ILE 241 N -0.35 0.91 -0.15 4.05 2.04 -0.93 -1.71 117.51 121.38 1j2t h ILE 241 Ca -0.02 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1j2t h ILE 241 Cb 0.29 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1j2t h ILE 241 CO 0.02 0.08 0.07 0.25 0.00 0.00 0.00 178.15 178.57 1j2t h LEU 242 N 0.43 0.10 -0.62 1.44 5.85 -0.90 -0.84 115.31 120.78 1j2t h LEU 242 Ca 0.22 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1j2t h LEU 242 Cb 0.17 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1j2t h LEU 242 CO -0.18 0.08 0.16 -0.08 -0.34 0.00 0.00 178.44 178.08 1j2t h GLU 243 N 0.16 0.98 -0.61 1.25 4.57 -1.18 -0.33 114.58 119.42 1j2t h GLU 243 Ca 0.06 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1j2t h GLU 243 Cb 0.01 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1j2t h GLU 243 CO -0.04 0.89 0.32 0.28 -1.18 0.00 0.00 179.01 179.27 1j2t h VAL 244 N 0.90 1.20 -0.02 0.32 2.07 -0.98 0.41 116.25 120.14 1j2t h VAL 244 Ca 0.20 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1j2t h VAL 244 Cb 0.34 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1j2t h VAL 244 CO -0.00 0.22 -0.00 0.00 0.02 0.00 0.00 177.57 177.81 1j2t h VAL 246 N -0.31 1.14 -0.16 0.00 2.07 -0.96 0.04 116.25 118.08 1j2t h VAL 246 Ca 0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1j2t h VAL 246 Cb 0.38 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1j2t h VAL 246 CO 0.00 0.15 0.08 -0.61 0.02 0.00 0.00 177.57 177.21 1j2t h GLN 247 N 0.49 0.22 -0.31 1.57 5.75 -0.93 -0.78 115.11 121.12 1j2t h GLN 247 Ca 0.14 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1j2t h GLN 247 Cb 0.05 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1j2t h GLN 247 CO -0.02 0.26 0.16 0.78 -2.65 0.00 0.00 178.83 177.36 1j2t h GLY 248 N 0.13 0.48 0.96 2.39 0.00 -1.09 -1.24 103.07 104.70 1j2t h GLY 248 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1j2t h GLY 248 CO -0.01 0.22 -0.28 -2.22 0.00 0.00 0.00 176.54 174.24 1j2t h ILE 249 N 0.38 1.31 -0.46 2.60 2.04 -0.96 -1.33 117.51 121.09 1j2t h ILE 249 Ca 0.11 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.58 1j2t h ILE 249 Cb 0.09 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1j2t h ILE 249 CO -0.02 0.46 0.14 0.00 0.00 0.00 0.00 178.15 178.74 1j2t h ALA 250 N 0.69 0.54 -0.28 1.87 0.00 -1.04 0.10 119.26 121.14 1j2t h ALA 250 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j2t h ALA 250 Cb 0.85 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1j2t h ALA 250 CO 0.07 -0.26 0.14 -0.44 0.00 0.00 0.00 179.25 178.77 1j2t h ASP 251 N 0.30 0.36 -0.67 0.00 3.32 -1.12 -1.10 116.42 117.51 1j2t h ASP 251 Ca 0.22 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1j2t h ASP 251 Cb 0.25 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1j2t h ASP 251 CO -0.25 0.36 0.41 0.00 -1.72 0.00 0.00 179.24 178.04 1j2t h ALA 252 N 1.01 0.89 -0.31 3.45 0.00 -0.84 -1.65 119.26 121.80 1j2t h ALA 252 Ca 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1j2t h ALA 252 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j2t h ALA 252 CO -0.01 0.14 -0.39 0.82 0.00 0.00 0.00 179.25 179.81 1j2t h ILE 253 N 0.78 1.29 -0.61 0.00 1.08 -0.83 -1.64 117.51 117.58 1j2t h ILE 253 Ca 0.28 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1j2t h ILE 253 Cb 0.08 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 1j2t h ILE 253 CO -0.13 0.51 0.39 0.03 -0.69 0.00 0.00 178.15 178.25 1j2t h ARG 254 N 0.61 0.81 -0.20 2.37 3.08 -0.76 0.27 114.38 120.57 1j2t h ARG 254 Ca 0.05 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1j2t h ARG 254 Cb 0.94 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1j2t h ARG 254 CO 0.09 0.55 -0.26 1.49 -1.07 0.00 0.00 179.97 180.77 1j2t h GLU 255 N 0.83 0.52 0.00 0.04 4.81 -1.07 -3.00 114.58 116.71 1j2t h GLU 255 Ca 0.22 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 1j2t h GLU 255 Cb -0.07 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1j2t h GLU 255 CO -0.05 0.89 -0.96 0.93 -0.73 0.00 0.00 179.01 179.10 1j2t h GLU 256 N 0.19 0.00 -2.10 1.92 4.39 -1.02 -3.38 114.58 114.57 1j2t h GLU 256 Ca 0.02 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.16 1j2t h GLU 256 Cb 0.82 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.07 1j2t h GLU 256 CO 0.06 0.58 -0.89 1.19 -1.16 0.00 0.00 179.01 178.79 1j2t n PHE 257 N -3.16 1.68 -1.94 4.33 3.72 0.94 -5.08 117.46 117.94 1j2t n PHE 257 Ca -0.03 -3.86 -0.35 0.00 -0.05 0.00 0.00 57.45 53.16 1j2t n PHE 257 Cb 0.84 -0.45 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 1j2t n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2t s PRO 258 N -2.14 2.91 0.00 -1.08 0.04 -1.13 -4.63 135.00 128.96 1j2t s PRO 258 Ca 0.39 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1j2t s PRO 258 Cb 0.21 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1j2t s PRO 258 CO -0.08 -1.23 0.21 -2.30 0.04 0.00 0.00 177.00 173.65