#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 0.34 -0.95 3.14 2.88 -1.26 -4.92 113.62 112.85 1j2t n SER 4 Ca 0.00 0.89 0.12 0.00 -1.33 0.00 0.00 58.87 58.55 1j2t n SER 4 Cb 0.00 -1.29 0.18 0.00 -0.75 0.00 0.00 64.21 62.35 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 -1.14 0.14 -3.23 2.46 0.24 -1.26 -4.91 118.33 110.63 1j2t n VAL 5 Ca 0.11 -0.53 -0.40 0.00 -2.04 0.00 0.00 64.34 61.48 1j2t n VAL 5 Cb 0.43 1.22 -0.07 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 -1.86 3.31 0.28 6.34 0.40 -1.26 -0.01 117.98 125.18 1j2t s PHE 6 Ca 0.32 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.37 1j2t s PHE 6 Cb 0.21 -2.71 0.56 0.00 0.51 0.00 0.00 43.02 41.59 1j2t s PHE 6 CO 0.31 -0.20 1.81 0.28 0.70 0.00 0.00 175.22 178.11 1j2t h VAL 7 N 5.28 0.84 0.00 -0.44 2.07 -1.36 -0.32 116.25 122.32 1j2t h VAL 7 Ca -0.31 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1j2t h VAL 7 Cb 1.14 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1j2t h VAL 7 CO 0.73 0.15 -0.03 1.23 0.02 0.00 0.00 177.57 179.67 1j2t h GLY 8 N 0.85 0.00 -1.83 2.17 0.00 -1.93 -1.62 103.07 100.72 1j2t h GLY 8 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1j2t h GLY 8 CO -0.30 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.42 1j2t n GLU 9 N -3.38 2.26 -4.03 4.80 1.02 -0.14 -4.92 120.64 116.25 1j2t n GLU 9 Ca -0.02 -1.89 -0.23 0.00 -0.02 0.00 0.00 57.16 55.00 1j2t n GLU 9 Cb 0.15 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.52 4.09 0.65 -4.62 1.43 -0.61 -4.92 118.68 113.17 1j2t s LEU 10 Ca 0.36 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1j2t s LEU 10 Cb 0.21 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1j2t s LEU 10 CO 0.30 -0.03 1.01 0.42 0.23 0.00 0.00 176.35 178.28 1j2t s THR 11 N -1.97 3.69 0.44 5.49 -4.23 -1.26 -4.92 115.64 112.87 1j2t s THR 11 Ca 0.33 0.32 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 1j2t s THR 11 Cb -0.09 -3.51 0.17 0.00 1.34 0.00 0.00 72.50 70.41 1j2t s THR 11 CO 0.27 -0.61 1.97 4.11 -0.54 0.00 0.00 174.62 179.82 1j2t h TRP 12 N -0.42 0.00 -0.39 3.99 5.08 -1.99 -1.63 115.95 120.59 1j2t h TRP 12 Ca -0.45 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.39 1j2t h TRP 12 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 1j2t h TRP 12 CO 0.50 0.21 -0.25 0.87 -1.28 0.00 0.00 178.44 178.49 1j2t h LYS 13 N 0.00 0.86 -0.46 0.12 1.79 -1.99 -0.44 116.57 116.45 1j2t h LYS 13 Ca -0.00 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.03 1j2t h LYS 13 Cb 0.37 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1j2t h LYS 13 CO 0.03 1.05 0.14 0.93 -1.08 0.00 0.00 179.45 180.51 1j2t h GLU 14 N 0.67 0.72 -0.19 3.15 5.08 -1.85 -1.07 114.58 121.08 1j2t h GLU 14 Ca 0.08 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1j2t h GLU 14 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1j2t h GLU 14 CO 0.07 0.70 0.05 -0.92 -1.00 0.00 0.00 179.01 177.91 1j2t h TYR 15 N 0.61 0.32 -0.49 4.33 3.20 -1.22 -1.91 116.97 121.81 1j2t h TYR 15 Ca 0.15 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.06 1j2t h TYR 15 Cb 0.28 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1j2t h TYR 15 CO 0.01 0.42 0.13 1.49 -1.64 0.00 0.00 178.16 178.57 1j2t h GLU 16 N 0.12 0.27 -0.87 1.82 4.81 -0.97 -0.39 114.58 119.36 1j2t h GLU 16 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1j2t h GLU 16 Cb 0.26 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1j2t h GLU 16 CO 0.00 0.18 0.52 0.00 -0.73 0.00 0.00 179.01 178.97 1j2t h ALA 17 N 1.36 1.11 -0.61 2.92 0.00 -0.99 0.14 119.26 123.19 1j2t h ALA 17 Ca 0.24 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1j2t h ALA 17 Cb 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j2t h ALA 17 CO -0.29 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 1j2t h ARG 18 N 1.20 1.08 -0.08 0.00 2.47 -0.59 -2.31 114.38 116.15 1j2t h ARG 18 Ca 0.31 -0.35 -0.12 0.00 -1.26 0.00 0.00 59.98 58.56 1j2t h ARG 18 Cb -0.03 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1j2t h ARG 18 CO -0.06 1.05 -0.49 0.28 0.56 0.00 0.00 179.97 181.32 1j2t h VAL 19 N 0.98 1.34 0.00 2.04 2.07 -0.67 -3.06 116.25 118.95 1j2t h VAL 19 Ca 0.17 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1j2t h VAL 19 Cb 0.57 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1j2t h VAL 19 CO 0.03 0.50 -0.11 0.00 0.02 0.00 0.00 177.57 178.02 1j2t h ALA 20 N 1.33 1.50 0.00 1.67 0.00 -0.19 -2.19 119.26 121.38 1j2t h ALA 20 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j2t h ALA 20 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1j2t h ALA 20 CO 0.07 0.14 0.09 0.00 0.00 0.00 0.00 179.25 179.55 1j2t h ALA 21 N 1.89 1.09 0.00 0.00 0.00 -1.38 -3.46 119.26 117.40 1j2t h ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j2t h ALA 21 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j2t h ALA 21 CO 0.01 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1j2t n GLY 22 N -1.15 2.17 0.27 0.00 0.00 -0.82 -4.82 105.19 100.84 1j2t n GLY 22 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 1.63 -4.71 1.61 3.85 -1.26 -5.01 116.55 112.65 1j2t n ASP 23 Ca 0.00 -2.82 -0.42 0.00 -0.71 0.00 0.00 54.79 50.84 1j2t n ASP 23 Cb 0.00 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 39.37 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 1.32 5.28 -0.03 0.00 1.01 -1.26 -4.21 120.40 122.51 1j2t s VAL 25 Ca 0.68 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 1j2t s VAL 25 Cb -0.40 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1j2t s VAL 25 CO 0.31 0.38 0.05 -0.76 0.00 0.00 0.00 175.10 175.07 1j2t s LEU 26 N 0.86 3.78 -0.05 3.92 1.43 -0.58 -1.41 118.68 126.62 1j2t s LEU 26 Ca 0.07 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1j2t s LEU 26 Cb -0.13 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1j2t s LEU 26 CO 0.03 0.31 -0.18 -0.04 0.23 0.00 0.00 176.35 176.69 1j2t s MET 27 N -1.47 2.03 -0.23 1.70 -1.94 0.71 -0.40 119.30 119.70 1j2t s MET 27 Ca 0.20 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1j2t s MET 27 Cb -0.12 -1.71 0.05 0.00 2.01 0.00 0.00 34.83 35.07 1j2t s MET 27 CO 0.10 0.23 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.07 1j2t s LEU 28 N 0.13 2.77 0.22 -0.03 2.96 0.72 -0.11 118.68 125.34 1j2t s LEU 28 Ca -0.07 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.39 1j2t s LEU 28 Cb -0.13 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.14 1j2t s LEU 28 CO 0.03 -0.18 1.17 -2.84 -1.32 0.00 0.00 176.35 173.21 1j2t s PRO 29 N 1.29 4.53 -0.22 0.98 0.02 -1.26 -0.92 135.00 139.42 1j2t s PRO 29 Ca -0.05 1.86 -0.00 0.00 0.02 0.00 0.00 61.00 62.83 1j2t s PRO 29 Cb -0.18 -3.22 0.06 0.00 0.02 0.00 0.00 34.50 31.18 1j2t s PRO 29 CO -0.07 -0.00 -0.03 0.08 -0.33 0.00 0.00 177.00 176.65 1j2t s VAL 30 N -0.42 1.24 0.00 3.83 1.01 -0.15 -1.13 120.40 124.78 1j2t s VAL 30 Ca 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1j2t s VAL 30 Cb -0.33 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1j2t s VAL 30 CO 0.39 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1j2t n GLY 31 N 4.78 4.99 3.58 4.51 0.00 -0.18 -0.44 105.19 122.43 1j2t n GLY 31 Ca -0.11 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.06 -1.91 -0.31 4.61 0.00 -1.23 -3.21 121.76 117.64 1j2t s ALA 32 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1j2t s ALA 32 Cb 0.00 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1j2t s ALA 32 CO 0.00 -0.76 0.04 -1.17 0.00 0.00 0.00 175.76 173.86 1j2t s LEU 33 N -2.53 4.02 -0.14 0.00 2.96 -1.11 -4.14 118.68 117.75 1j2t s LEU 33 Ca 0.09 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 52.64 1j2t s LEU 33 Cb -0.00 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1j2t s LEU 33 CO -0.05 -0.28 0.44 -0.70 -1.32 0.00 0.00 176.35 174.44 1j2t s GLU 34 N 1.32 0.58 0.29 1.98 2.12 -0.46 -1.28 118.70 123.25 1j2t s GLU 34 Ca -0.04 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 1j2t s GLU 34 Cb -0.19 0.28 -0.13 0.00 0.26 0.00 0.00 34.13 34.34 1j2t s GLU 34 CO 0.00 -0.10 1.28 0.00 -0.54 0.00 0.00 175.26 175.90 1j2t n GLN 35 N 2.47 1.93 -2.60 4.30 -0.00 -1.26 -4.35 117.38 117.86 1j2t n GLN 35 Ca -0.15 0.68 -0.13 0.00 -0.00 0.00 0.00 57.00 57.40 1j2t n GLN 35 Cb 0.57 -2.25 0.02 0.00 -0.00 0.00 0.00 30.24 28.58 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 0.90 1.81 -3.99 2.61 8.25 -1.26 -4.98 115.22 118.55 1j2t n HIS 36 Ca 0.08 -2.78 0.00 0.00 -0.26 0.00 0.00 57.72 54.76 1j2t n HIS 36 Cb 0.33 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.25 -2.11 0.14 -1.41 0.00 -1.24 -3.76 105.19 96.56 1j2t n GLY 37 Ca 0.18 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.83 -3.36 115.15 115.41 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 -0.28 -2.39 0.86 0.00 0.00 177.93 176.12 1j2t n HIS 39 N -2.60 0.00 -3.98 2.45 1.44 -1.26 -4.87 115.22 106.40 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 30.50 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 -1.83 0.55 0.96 -1.40 0.00 -1.25 -0.81 119.30 115.53 1j2t s MET 40 Ca 0.15 -0.85 -0.16 0.00 0.00 0.00 0.00 55.69 54.83 1j2t s MET 40 Cb 0.13 0.21 0.19 0.00 0.00 0.00 0.00 34.83 35.37 1j2t s MET 40 CO 0.37 -0.12 1.31 0.00 0.00 0.00 0.00 175.02 176.58 1j2t n MET 42 N -3.77 0.61 -0.49 0.00 0.00 -1.26 -4.13 117.12 108.07 1j2t n MET 42 Ca 0.15 -0.45 0.08 0.00 0.00 0.00 0.00 57.70 57.48 1j2t n MET 42 Cb 0.60 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.63 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 4.00 -0.26 7.83 2.04 -1.26 -1.35 115.26 125.45 1j2t n ASN 43 Ca 0.08 -2.32 0.05 0.00 -0.44 0.00 0.00 54.58 51.95 1j2t n ASN 43 Cb 0.38 -0.51 0.15 0.00 -2.53 0.00 0.00 39.78 37.26 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 3.52 0.29 0.00 3.53 2.07 -1.83 -0.73 116.25 123.11 1j2t h VAL 44 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1j2t h VAL 44 Cb 1.20 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1j2t h VAL 44 CO 0.17 0.01 0.00 0.44 0.02 0.00 0.00 177.57 178.21 1j2t h ASP 45 N 0.07 0.00 0.00 0.57 3.32 -1.81 -1.07 116.42 117.50 1j2t h ASP 45 Ca 0.41 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.20 1j2t h ASP 45 Cb 0.71 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 1j2t h ASP 45 CO -0.71 0.00 -1.39 0.52 -1.72 0.00 0.00 179.24 175.94 1j2t n VAL 46 N -2.36 1.54 -0.27 -1.35 0.31 -0.37 -4.05 118.33 111.77 1j2t n VAL 46 Ca 0.01 -0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1j2t n VAL 46 Cb 0.20 -2.02 0.15 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 -0.99 0.58 0.32 7.52 3.38 -0.95 -2.03 115.31 123.14 1j2t h LEU 47 Ca -0.39 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1j2t h LEU 47 Cb 1.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1j2t h LEU 47 CO -0.23 0.34 -0.15 -0.07 0.09 0.00 0.00 178.44 178.41 1j2t h LEU 48 N 0.71 -0.36 -1.70 1.67 3.38 -1.43 -0.98 115.31 116.60 1j2t h LEU 48 Ca 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1j2t h LEU 48 Cb 0.34 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1j2t h LEU 48 CO -0.25 0.07 0.08 1.55 0.09 0.00 0.00 178.44 179.99 1j2t h PRO 49 N -0.89 0.28 -0.45 1.13 0.13 -1.75 -1.46 132.00 128.99 1j2t h PRO 49 Ca -0.04 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1j2t h PRO 49 Cb 0.52 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1j2t h PRO 49 CO 0.07 0.23 0.13 1.15 -0.23 0.00 0.00 178.00 179.35 1j2t h THR 50 N 0.28 1.23 -0.57 1.56 2.02 -1.27 0.14 112.91 116.30 1j2t h THR 50 Ca 0.07 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 1j2t h THR 50 Cb 0.06 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1j2t h THR 50 CO -0.01 0.27 0.03 0.00 0.37 0.00 0.00 175.52 176.19 1j2t h ALA 51 N 0.98 0.97 -0.26 6.16 0.00 -0.56 -0.31 119.26 126.24 1j2t h ALA 51 Ca 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1j2t h ALA 51 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j2t h ALA 51 CO -0.00 0.63 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 1j2t h VAL 52 N 0.90 1.27 -0.64 0.00 2.07 -1.12 -2.55 116.25 116.18 1j2t h VAL 52 Ca 0.17 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1j2t h VAL 52 Cb 0.48 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1j2t h VAL 52 CO 0.02 0.31 0.33 0.00 0.02 0.00 0.00 177.57 178.25 1j2t h LYS 54 N 0.60 0.01 -0.52 0.00 3.64 -0.91 0.18 116.57 119.58 1j2t h LYS 54 Ca 0.29 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1j2t h LYS 54 Cb 0.23 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1j2t h LYS 54 CO -0.20 0.01 0.05 0.00 -2.27 0.00 0.00 179.45 177.03 1j2t h ARG 55 N 0.01 0.88 -0.19 1.90 3.08 -1.19 -0.92 114.38 117.95 1j2t h ARG 55 Ca 0.05 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1j2t h ARG 55 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1j2t h ARG 55 CO -0.10 0.88 0.10 0.28 -1.07 0.00 0.00 179.97 180.07 1j2t h VAL 56 N 0.76 1.12 -0.82 2.04 2.07 -0.89 -2.30 116.25 118.22 1j2t h VAL 56 Ca 0.15 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1j2t h VAL 56 Cb 0.45 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1j2t h VAL 56 CO 0.02 0.11 0.50 0.00 0.02 0.00 0.00 177.57 178.22 1j2t h ALA 57 N 0.98 1.35 -0.71 1.67 0.00 -0.45 -0.86 119.26 121.23 1j2t h ALA 57 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j2t h ALA 57 Cb 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1j2t h ALA 57 CO -0.01 0.57 0.42 0.93 0.00 0.00 0.00 179.25 181.16 1j2t h GLU 58 N 1.12 0.97 -0.29 0.00 5.08 -1.02 0.29 114.58 120.73 1j2t h GLU 58 Ca 0.30 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1j2t h GLU 58 Cb -0.06 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1j2t h GLU 58 CO -0.06 0.70 -0.51 0.00 -1.00 0.00 0.00 179.01 178.14 1j2t h ARG 59 N 0.97 0.84 -0.07 2.33 3.08 -0.75 -3.34 114.38 117.44 1j2t h ARG 59 Ca 0.25 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1j2t h ARG 59 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1j2t h ARG 59 CO -0.05 1.15 0.00 0.44 -1.07 0.00 0.00 179.97 180.44 1j2t n ILE 60 N -4.01 0.11 -2.45 2.04 -5.35 -0.41 -4.99 119.36 104.29 1j2t n ILE 60 Ca -0.04 -0.55 -0.05 0.00 -0.27 0.00 0.00 62.75 61.84 1j2t n ILE 60 Cb 0.61 1.24 0.01 0.00 -1.74 0.00 0.00 39.64 39.76 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 0.90 0.41 4.03 3.28 0.00 0.00 -5.04 105.19 108.77 1j2t n GLY 61 Ca 0.10 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.70 4.66 0.07 4.61 0.00 -0.67 -4.72 121.76 123.03 1j2t s ALA 62 Ca 0.07 -2.01 0.08 0.00 0.00 0.00 0.00 51.96 50.10 1j2t s ALA 62 Cb -0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1j2t s ALA 62 CO 0.09 -0.70 -0.22 -0.51 0.00 0.00 0.00 175.76 174.43 1j2t s LEU 63 N -4.58 2.23 -0.15 0.00 1.43 -0.50 -4.67 118.68 112.44 1j2t s LEU 63 Ca 0.60 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1j2t s LEU 63 Cb -0.07 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 1j2t s LEU 63 CO 0.37 0.13 -0.16 -0.69 0.23 0.00 0.00 176.35 176.23 1j2t s VAL 64 N -0.96 2.64 0.55 -1.59 1.01 0.98 -0.20 120.40 122.82 1j2t s VAL 64 Ca 0.08 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1j2t s VAL 64 Cb -0.09 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1j2t s VAL 64 CO 0.03 0.52 0.96 -0.04 0.00 0.00 0.00 175.10 176.57 1j2t s MET 65 N 0.75 3.74 0.23 2.72 -1.94 0.84 -0.88 119.30 124.76 1j2t s MET 65 Ca -0.06 0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 54.34 1j2t s MET 65 Cb -0.15 -2.16 -0.14 0.00 2.01 0.00 0.00 34.83 34.38 1j2t s MET 65 CO 0.01 -0.37 1.32 -2.30 -0.01 0.00 0.00 175.02 173.66 1j2t n PRO 66 N -2.12 1.77 -2.36 2.03 -0.02 -1.26 -4.46 135.00 128.57 1j2t n PRO 66 Ca 0.05 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 1j2t n PRO 66 Cb 0.54 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.14 2.11 -0.21 -1.23 0.00 -1.26 -4.73 107.32 102.14 1j2t s GLY 67 Ca 0.68 0.25 -0.29 0.00 0.00 0.00 0.00 44.72 45.37 1j2t s GLY 67 CO 0.51 0.54 1.19 1.08 0.00 0.00 0.00 173.10 176.42 1j2t s LEU 68 N -4.08 4.10 0.18 0.66 1.43 -0.28 -4.91 118.68 115.78 1j2t s LEU 68 Ca 0.60 1.48 0.17 0.00 -1.03 0.00 0.00 54.13 55.35 1j2t s LEU 68 Cb -0.11 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1j2t s LEU 68 CO 0.31 -0.79 1.14 1.56 0.23 0.00 0.00 176.35 178.80 1j2t h GLN 69 N 8.12 0.00 -5.83 1.70 1.08 -1.89 -0.47 115.11 117.83 1j2t h GLN 69 Ca -0.24 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.30 1j2t h GLN 69 Cb 1.09 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.20 1j2t h GLN 69 CO 0.99 0.34 -0.88 0.71 -0.95 0.00 0.00 178.83 179.04 1j2t s TYR 70 N -3.00 2.31 0.05 2.96 1.51 -1.26 -2.74 117.35 117.18 1j2t s TYR 70 Ca 0.01 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1j2t s TYR 70 Cb 0.08 -1.53 -0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1j2t s TYR 70 CO 0.78 -0.22 0.01 0.41 -1.11 0.00 0.00 175.55 175.41 1j2t n GLY 71 N 3.03 4.08 3.77 0.71 0.00 -1.20 -4.76 105.19 110.83 1j2t n GLY 71 Ca -0.18 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.43 2.65 0.01 1.61 5.04 -1.26 -0.72 117.35 123.25 1j2t s TYR 72 Ca 0.01 1.54 -0.38 0.00 -2.44 0.00 0.00 57.07 55.81 1j2t s TYR 72 Cb 0.00 -3.12 -0.17 0.00 0.35 0.00 0.00 41.96 39.03 1j2t s TYR 72 CO 0.01 -1.66 1.41 1.63 -1.34 0.00 0.00 175.55 175.59 1j2t n LYS 73 N -2.71 1.09 -1.73 4.97 5.02 -1.24 -4.76 118.16 118.79 1j2t n LYS 73 Ca 0.10 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.36 1j2t n LYS 73 Cb 0.52 -2.04 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 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 3.05 3.70 -4.74 4.39 2.88 -1.26 -4.92 113.62 116.72 1j2t n SER 74 Ca 0.20 1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 58.55 1j2t n SER 74 Cb 0.17 -1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 61.99 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 -0.30 2.97 0.19 -1.46 -1.52 -1.26 -2.05 119.66 116.23 1j2t s GLN 75 Ca 0.66 -0.51 -0.17 0.00 -1.95 0.00 0.00 55.36 53.40 1j2t s GLN 75 Cb -0.52 -2.80 0.15 0.00 -0.22 0.00 0.00 33.01 29.62 1j2t s GLN 75 CO 0.47 0.65 1.64 0.37 -0.25 0.00 0.00 175.29 178.16 1j2t h GLN 76 N 4.33 -0.05 0.00 2.91 4.15 -1.92 0.30 115.11 124.83 1j2t h GLN 76 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1j2t h GLN 76 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1j2t h GLN 76 CO 0.59 -0.04 0.00 1.63 -1.93 0.00 0.00 178.83 179.09 1j2t n LYS 77 N -5.39 0.13 0.00 1.69 5.02 -1.26 -2.27 118.16 116.08 1j2t n LYS 77 Ca 0.04 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1j2t n LYS 77 Cb 0.29 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.96 3.98 -0.09 4.39 3.41 -0.64 -4.79 113.62 117.93 1j2t n SER 78 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1j2t n SER 78 Cb 0.23 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 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 2.26 -1.91 1.53 5.00 0.00 0.95 -4.59 105.19 108.42 1j2t n GLY 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.05 2.65 0.00 -0.02 0.00 -0.96 -4.81 105.19 102.00 1j2t n GLY 80 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.48 0.14 -0.02 0.00 -1.22 -4.42 105.19 103.15 1j2t n GLY 81 Ca 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 0.41 -0.00 1.61 2.85 -0.87 -3.32 115.26 115.93 1j2t n ASN 82 Ca 0.00 -1.99 0.12 0.00 -0.11 0.00 0.00 54.58 52.61 1j2t n ASN 82 Cb 0.00 -0.05 0.31 0.00 1.24 0.00 0.00 39.78 41.28 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 -0.28 0.00 -2.32 1.20 1.44 -1.26 -4.92 115.22 109.07 1j2t n HIS 83 Ca 0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.39 1j2t n HIS 83 Cb 0.07 -0.28 -0.01 0.00 0.12 0.00 0.00 29.99 29.89 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 -2.99 2.74 0.79 -1.40 0.40 -1.21 -5.02 117.98 111.30 1j2t s PHE 84 Ca 0.12 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 57.89 1j2t s PHE 84 Cb 0.18 -3.24 0.07 0.00 0.51 0.00 0.00 43.02 40.53 1j2t s PHE 84 CO 0.67 -1.41 1.10 -2.14 0.70 0.00 0.00 175.22 174.14 1j2t s PRO 85 N -3.26 2.07 0.00 0.24 0.02 -1.26 -3.96 135.00 128.85 1j2t s PRO 85 Ca 0.71 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1j2t s PRO 85 Cb -0.22 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1j2t s PRO 85 CO 0.26 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1j2t n GLY 86 N -0.98 1.76 3.67 0.52 0.00 -1.26 -4.62 105.19 104.27 1j2t n GLY 86 Ca 0.10 -0.14 -0.52 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.79 2.61 -1.04 -1.25 -4.64 114.28 106.41 1j2t n THR 87 Ca 0.00 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 1j2t n THR 87 Cb 0.00 -1.36 -0.16 0.00 -1.82 0.00 0.00 70.33 67.00 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 2.45 0.99 0.10 12.58 2.01 -0.40 -4.97 115.64 128.40 1j2t s THR 88 Ca 0.90 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1j2t s THR 88 Cb -0.87 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1j2t s THR 88 CO 0.52 -0.42 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.47 1j2t s SER 89 N 1.60 4.27 0.34 3.53 0.01 -1.26 -4.37 113.70 117.82 1j2t s SER 89 Ca 0.04 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1j2t s SER 89 Cb -0.18 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 1j2t s SER 89 CO -0.16 0.18 0.63 -0.76 0.41 0.00 0.00 173.24 173.55 1j2t s LEU 90 N -2.17 3.95 0.67 2.44 1.43 0.10 -4.87 118.68 120.24 1j2t s LEU 90 Ca 0.20 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 1j2t s LEU 90 Cb -0.11 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1j2t s LEU 90 CO 0.13 -0.30 1.12 -1.81 0.23 0.00 0.00 176.35 175.72 1j2t s ASP 91 N -3.34 5.00 0.25 2.29 -0.00 -1.26 -3.68 116.67 115.92 1j2t s ASP 91 Ca 0.46 2.02 -0.05 0.00 -0.00 0.00 0.00 52.55 54.97 1j2t s ASP 91 Cb -0.10 -2.55 0.31 0.00 -0.00 0.00 0.00 42.92 40.57 1j2t s ASP 91 CO 0.32 -1.71 1.90 1.23 -0.00 0.00 0.00 175.17 176.92 1j2t h GLY 92 N -0.06 1.41 2.00 0.21 0.00 -1.98 -1.97 103.07 102.68 1j2t h GLY 92 Ca -0.47 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 1j2t h GLY 92 CO 0.54 0.42 -0.30 0.00 0.00 0.00 0.00 176.54 177.20 1j2t h ALA 93 N 1.39 1.42 -0.11 3.60 0.00 -1.98 0.49 119.26 124.06 1j2t h ALA 93 Ca 0.38 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1j2t h ALA 93 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j2t h ALA 93 CO -0.12 0.37 -0.29 1.15 0.00 0.00 0.00 179.25 180.37 1j2t h THR 94 N 0.00 1.39 -0.13 0.00 2.02 -1.75 -1.05 112.91 113.38 1j2t h THR 94 Ca -0.00 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 1j2t h THR 94 Cb 0.56 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1j2t h THR 94 CO 0.04 0.47 -0.03 0.25 0.37 0.00 0.00 175.52 176.62 1j2t h LEU 95 N -0.04 0.26 -0.46 2.58 5.85 -1.08 -1.81 115.31 120.60 1j2t h LEU 95 Ca -0.00 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.43 1j2t h LEU 95 Cb 0.90 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1j2t h LEU 95 CO 0.06 0.56 0.06 0.74 -0.34 0.00 0.00 178.44 179.52 1j2t h THR 96 N -0.05 0.71 -0.33 1.05 2.02 -0.96 -2.10 112.91 113.26 1j2t h THR 96 Ca 0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1j2t h THR 96 Cb 0.45 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1j2t h THR 96 CO 0.01 0.03 0.07 1.23 0.37 0.00 0.00 175.52 177.23 1j2t h GLY 97 N 0.18 0.51 0.76 2.16 0.00 -1.07 -0.69 103.07 104.91 1j2t h GLY 97 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1j2t h GLY 97 CO -0.33 0.25 -0.08 -0.84 0.00 0.00 0.00 176.54 175.54 1j2t h THR 98 N 0.47 1.32 -0.39 4.70 2.02 -0.71 -0.39 112.91 119.93 1j2t h THR 98 Ca 0.11 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1j2t h THR 98 Cb 0.20 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1j2t h THR 98 CO -0.00 0.34 0.24 0.58 0.37 0.00 0.00 175.52 177.05 1j2t h VAL 99 N 0.00 1.12 -0.40 3.16 2.07 -1.16 -2.04 116.25 119.00 1j2t h VAL 99 Ca 0.03 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1j2t h VAL 99 Cb 0.56 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1j2t h VAL 99 CO 0.02 0.12 0.21 -0.61 0.02 0.00 0.00 177.57 177.34 1j2t h GLN 100 N 0.52 0.41 -0.49 1.57 4.15 -0.99 -1.90 115.11 118.37 1j2t h GLN 100 Ca 0.14 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1j2t h GLN 100 Cb -0.01 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1j2t h GLN 100 CO -0.03 0.27 0.17 -0.44 -1.93 0.00 0.00 178.83 176.87 1j2t h ASP 101 N 0.42 0.71 -0.60 -0.69 3.32 -0.88 -1.91 116.42 116.78 1j2t h ASP 101 Ca 0.17 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1j2t h ASP 101 Cb 0.06 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1j2t h ASP 101 CO -0.11 0.71 0.24 0.40 -1.72 0.00 0.00 179.24 178.76 1j2t h ILE 102 N 0.66 1.23 -0.60 0.35 2.04 -1.16 -1.74 117.51 118.29 1j2t h ILE 102 Ca 0.16 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1j2t h ILE 102 Cb 0.24 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1j2t h ILE 102 CO -0.01 0.28 0.24 0.40 0.00 0.00 0.00 178.15 179.06 1j2t h ILE 103 N 0.84 1.23 -0.63 -0.67 2.04 -1.20 0.19 117.51 119.31 1j2t h ILE 103 Ca 0.20 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.44 1j2t h ILE 103 Cb 0.20 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1j2t h ILE 103 CO -0.02 0.28 0.22 -0.09 0.00 0.00 0.00 178.15 178.55 1j2t h ARG 104 N 0.84 0.38 -0.17 2.37 2.43 -1.08 -0.63 114.38 118.52 1j2t h ARG 104 Ca 0.20 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 1j2t h ARG 104 Cb 0.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1j2t h ARG 104 CO -0.02 0.25 -0.50 0.93 -1.51 0.00 0.00 179.97 179.12 1j2t h GLU 105 N 0.39 0.64 -0.63 0.20 4.39 -0.62 -1.70 114.58 117.25 1j2t h GLU 105 Ca 0.32 -0.46 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1j2t h GLU 105 Cb 0.43 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1j2t h GLU 105 CO -0.34 1.08 0.39 -0.07 -1.16 0.00 0.00 179.01 178.91 1j2t h LEU 106 N 0.31 0.63 -1.02 1.33 3.38 -0.77 -1.72 115.31 117.45 1j2t h LEU 106 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j2t h LEU 106 Cb 1.12 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1j2t h LEU 106 CO 0.11 0.44 0.62 0.00 0.09 0.00 0.00 178.44 179.70 1j2t h ALA 107 N 1.27 1.28 -0.99 1.53 0.00 -0.99 -1.75 119.26 119.61 1j2t h ALA 107 Ca 0.25 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1j2t h ALA 107 Cb 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 1j2t h ALA 107 CO -0.10 0.65 0.65 -0.09 0.00 0.00 0.00 179.25 180.36 1j2t h ARG 108 N 1.31 1.25 0.00 0.00 2.43 -0.59 -0.66 114.38 118.13 1j2t h ARG 108 Ca 0.35 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1j2t h ARG 108 Cb -0.12 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.15 1j2t h ARG 108 CO -0.07 0.83 0.00 0.45 -1.51 0.00 0.00 179.97 179.67 1j2t h HIS 109 N 1.29 0.00 0.00 2.20 3.86 -0.54 -3.46 115.15 118.50 1j2t h HIS 109 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1j2t h HIS 109 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1j2t h HIS 109 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1j2t n GLY 110 N -0.54 0.64 3.77 2.45 0.00 -0.25 -4.98 105.19 106.28 1j2t n GLY 110 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 2.92 0.00 4.61 0.00 -0.73 -4.95 121.76 121.61 1j2t s ALA 111 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1j2t s ALA 111 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1j2t s ALA 111 CO 0.00 -0.70 0.33 0.54 0.00 0.00 0.00 175.76 175.93 1j2t n ARG 112 N -0.64 0.08 -3.79 0.00 5.12 -1.26 -4.14 116.66 112.03 1j2t n ARG 112 Ca 0.08 -0.35 -0.26 0.00 -1.93 0.00 0.00 57.85 55.39 1j2t n ARG 112 Cb 0.48 -0.53 -0.17 0.00 -1.16 0.00 0.00 32.46 31.08 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 -0.04 0.84 -0.03 5.56 0.52 -1.26 -1.04 118.95 123.50 1j2t s ARG 113 Ca 0.00 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 1j2t s ARG 113 Cb 0.00 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1j2t s ARG 113 CO 0.00 -0.44 -0.09 -1.17 0.02 0.00 0.00 175.30 173.62 1j2t s LEU 114 N 1.86 1.81 -0.20 2.53 2.96 -0.58 -1.53 118.68 125.53 1j2t s LEU 114 Ca 0.02 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1j2t s LEU 114 Cb -0.14 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 45.99 1j2t s LEU 114 CO -0.07 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.24 1j2t s VAL 115 N 0.16 2.89 -0.28 1.68 1.01 0.46 -0.28 120.40 126.03 1j2t s VAL 115 Ca -0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1j2t s VAL 115 Cb -0.08 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1j2t s VAL 115 CO 0.00 0.47 0.32 -0.76 0.00 0.00 0.00 175.10 175.13 1j2t s LEU 116 N 1.34 4.08 -0.40 3.92 1.02 0.17 -0.20 118.68 128.61 1j2t s LEU 116 Ca 0.04 0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.24 1j2t s LEU 116 Cb -0.14 -2.32 0.06 0.00 0.02 0.00 0.00 46.19 43.81 1j2t s LEU 116 CO -0.06 -0.16 0.24 -0.32 0.02 0.00 0.00 176.35 176.07 1j2t s MET 117 N 1.97 2.70 0.16 1.70 1.75 -0.10 -1.69 119.30 125.79 1j2t s MET 117 Ca 0.12 -1.30 -0.26 0.00 -1.25 0.00 0.00 55.69 52.99 1j2t s MET 117 Cb -0.16 -3.75 -0.08 0.00 2.84 0.00 0.00 34.83 33.68 1j2t s MET 117 CO 0.10 -0.85 0.81 1.21 -0.65 0.00 0.00 175.02 175.65 1j2t s ASN 118 N 1.89 7.42 0.00 1.11 2.47 0.03 -0.98 114.94 126.88 1j2t s ASN 118 Ca 0.02 1.68 0.00 0.00 0.42 0.00 0.00 52.86 54.98 1j2t s ASN 118 Cb -0.21 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1j2t s ASN 118 CO 0.04 0.16 0.47 0.61 -3.72 0.00 0.00 177.10 174.67 1j2t n GLY 119 N 1.70 -1.34 2.70 1.21 0.00 0.42 -3.40 105.19 106.49 1j2t n GLY 119 Ca -0.04 -0.00 -0.26 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 -0.07 0.68 0.27 1.61 5.65 -1.25 -4.68 115.29 117.50 1j2t s HIS 120 Ca 0.00 -0.53 -0.03 0.00 0.25 0.00 0.00 55.06 54.75 1j2t s HIS 120 Cb 0.00 -0.86 0.57 0.00 -1.18 0.00 0.00 32.58 31.11 1j2t s HIS 120 CO 0.00 -0.51 1.61 -0.92 -0.65 0.00 0.00 174.74 174.27 1j2t h TYR 121 N 8.32 -0.02 0.00 3.88 3.20 -1.93 -1.07 116.97 129.35 1j2t h TYR 121 Ca -0.16 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1j2t h TYR 121 Cb 1.13 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1j2t h TYR 121 CO 0.29 -0.31 0.00 0.93 -1.64 0.00 0.00 178.16 177.43 1j2t h GLU 122 N 0.08 0.00 0.00 1.82 3.07 -1.91 -2.87 114.58 114.78 1j2t h GLU 122 Ca 0.49 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.31 1j2t h GLU 122 Cb 0.93 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1j2t h GLU 122 CO -0.76 0.00 -0.21 -0.91 -1.40 0.00 0.00 179.01 175.73 1j2t h ASN 123 N 0.00 0.00 -0.58 1.42 2.35 -1.51 -3.40 115.58 113.86 1j2t h ASN 123 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1j2t h ASN 123 Cb 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.30 1j2t h ASN 123 CO 0.00 0.21 -0.33 0.28 -1.65 0.00 0.00 177.43 175.93 1j2t h SER 124 N 0.00 -1.15 0.85 5.81 0.02 -1.69 -1.37 113.55 116.02 1j2t h SER 124 Ca -0.00 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1j2t h SER 124 Cb 0.71 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1j2t h SER 124 CO 0.03 -0.30 -0.36 0.24 -1.14 0.00 0.00 176.83 175.29 1j2t h MET 125 N -0.17 0.00 0.02 3.45 2.86 -1.87 -1.74 114.93 117.49 1j2t h MET 125 Ca 0.23 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.66 1j2t h MET 125 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1j2t h MET 125 CO -0.67 0.36 -0.98 0.74 1.06 0.00 0.00 176.91 177.42 1j2t h PHE 126 N 0.00 0.13 -0.18 -0.22 -1.00 -1.61 -1.45 116.94 112.62 1j2t h PHE 126 Ca -0.00 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1j2t h PHE 126 Cb 0.89 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1j2t h PHE 126 CO 0.00 1.01 0.09 0.82 -1.61 0.00 0.00 178.31 178.61 1j2t h ILE 127 N 0.03 1.13 -0.48 -0.55 2.04 -1.02 -1.51 117.51 117.15 1j2t h ILE 127 Ca -0.04 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1j2t h ILE 127 Cb 1.69 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1j2t h ILE 127 CO 0.14 0.12 0.20 0.58 0.00 0.00 0.00 178.15 179.19 1j2t h VAL 128 N 0.16 0.88 -0.52 1.67 2.07 -1.19 -0.84 116.25 118.48 1j2t h VAL 128 Ca 0.06 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1j2t h VAL 128 Cb 0.12 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1j2t h VAL 128 CO -0.01 0.07 -0.13 -0.08 0.02 0.00 0.00 177.57 177.45 1j2t h GLU 129 N 0.39 0.98 -0.76 1.57 4.57 -1.19 -1.25 114.58 118.89 1j2t h GLU 129 Ca 0.23 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1j2t h GLU 129 Cb 0.21 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1j2t h GLU 129 CO -0.21 1.04 0.48 0.78 -1.18 0.00 0.00 179.01 179.92 1j2t h GLY 130 N 0.94 1.09 0.96 1.92 0.00 -0.89 -1.25 103.07 105.83 1j2t h GLY 130 Ca 0.13 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1j2t h GLY 130 CO 0.05 0.42 0.11 -2.22 0.00 0.00 0.00 176.54 174.90 1j2t h ILE 131 N 1.04 1.08 -0.52 2.60 2.04 -0.91 -1.91 117.51 120.93 1j2t h ILE 131 Ca 0.28 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1j2t h ILE 131 Cb -0.07 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1j2t h ILE 131 CO -0.06 0.08 0.33 -0.78 0.00 0.00 0.00 178.15 177.73 1j2t h ASP 132 N 0.21 0.61 -0.50 1.72 1.82 -0.84 -0.04 116.42 119.41 1j2t h ASP 132 Ca 0.07 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 1j2t h ASP 132 Cb 0.03 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1j2t h ASP 132 CO -0.01 0.46 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.00 1j2t h LEU 133 N 0.70 0.91 -0.38 2.28 3.38 -1.19 0.94 115.31 121.95 1j2t h LEU 133 Ca 0.19 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1j2t h LEU 133 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1j2t h LEU 133 CO -0.04 0.97 -0.01 0.00 0.09 0.00 0.00 178.44 179.46 1j2t h ALA 134 N 1.12 0.51 -0.22 1.53 0.00 -0.96 -1.95 119.26 119.29 1j2t h ALA 134 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1j2t h ALA 134 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j2t h ALA 134 CO 0.03 0.29 -0.27 -0.07 0.00 0.00 0.00 179.25 179.22 1j2t h LEU 135 N 0.49 0.42 -0.47 0.00 3.38 -0.74 -1.04 115.31 117.35 1j2t h LEU 135 Ca 0.11 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1j2t h LEU 135 Cb 0.48 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1j2t h LEU 135 CO 0.02 0.69 0.28 -0.09 0.09 0.00 0.00 178.44 179.43 1j2t h ARG 136 N 0.37 0.55 -0.57 1.13 2.43 -0.63 -0.85 114.38 116.82 1j2t h ARG 136 Ca 0.05 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1j2t h ARG 136 Cb 0.67 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1j2t h ARG 136 CO 0.05 0.37 0.01 0.93 -1.51 0.00 0.00 179.97 179.81 1j2t h GLU 137 N 0.57 0.98 -0.87 0.20 5.08 -0.91 -2.43 114.58 117.20 1j2t h GLU 137 Ca 0.18 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1j2t h GLU 137 Cb -0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1j2t h GLU 137 CO -0.08 0.96 0.50 -0.07 -1.00 0.00 0.00 179.01 179.32 1j2t h LEU 138 N 0.90 1.07 -1.59 1.33 3.38 -0.91 -2.31 115.31 117.18 1j2t h LEU 138 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1j2t h LEU 138 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1j2t h LEU 138 CO 0.03 0.84 -0.08 -0.09 0.09 0.00 0.00 178.44 179.23 1j2t h ARG 139 N 1.21 0.16 0.00 1.13 2.43 -0.82 0.10 114.38 118.59 1j2t h ARG 139 Ca 0.31 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1j2t h ARG 139 Cb -0.01 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1j2t h ARG 139 CO -0.05 0.25 -0.11 1.88 -1.51 0.00 0.00 179.97 180.43 1j2t h TYR 140 N 0.16 0.00 -0.63 2.20 0.05 -0.94 -1.61 116.97 116.19 1j2t h TYR 140 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1j2t h TYR 140 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1j2t h TYR 140 CO 0.00 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.22 1j2t n ALA 141 N -2.30 3.02 -1.24 3.88 0.00 0.17 -4.93 120.51 119.11 1j2t n ALA 141 Ca -0.02 -1.48 -0.08 0.00 0.00 0.00 0.00 53.44 51.85 1j2t n ALA 141 Cb 0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 1.16 1.00 3.55 0.00 0.00 -0.61 -4.99 105.19 105.30 1j2t n GLY 142 Ca 0.25 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.21 5.13 -0.01 -0.61 1.01 -0.11 -4.93 121.20 119.48 1j2t s ILE 143 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1j2t s ILE 143 Cb 0.00 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.01 1j2t s ILE 143 CO 0.00 0.20 0.80 0.00 0.00 0.00 0.00 174.94 175.94 1j2t n GLN 144 N 5.05 1.15 -0.27 2.79 6.02 -1.26 -3.00 117.38 127.86 1j2t n GLN 144 Ca -0.14 -1.12 0.07 0.00 -0.01 0.00 0.00 57.00 55.80 1j2t n GLN 144 Cb 0.51 -0.77 0.20 0.00 1.02 0.00 0.00 30.24 31.20 1j2t n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1j2t n ASP 145 N -0.32 3.31 -4.68 1.08 3.85 -1.26 -4.91 116.55 113.62 1j2t n ASP 145 Ca 0.02 -2.22 -0.41 0.00 -0.71 0.00 0.00 54.79 51.48 1j2t n ASP 145 Cb 0.45 -0.33 -0.05 0.00 -1.35 0.00 0.00 41.12 39.85 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 -1.39 3.46 -0.04 2.11 2.19 -1.26 -4.85 117.98 118.20 1j2t s PHE 146 Ca 0.31 1.18 0.07 0.00 0.33 0.00 0.00 56.93 58.81 1j2t s PHE 146 Cb 0.19 -2.90 -0.01 0.00 -1.31 0.00 0.00 43.02 38.99 1j2t s PHE 146 CO 0.16 -0.12 -0.24 0.21 1.83 0.00 0.00 175.22 177.07 1j2t s LYS 147 N 1.64 2.25 -0.07 10.12 2.20 -0.21 -5.03 119.74 130.64 1j2t s LYS 147 Ca 0.36 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1j2t s LYS 147 Cb -0.17 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1j2t s LYS 147 CO 0.14 0.43 -0.20 0.08 -0.36 0.00 0.00 175.35 175.44 1j2t s VAL 148 N -0.32 1.68 -0.18 4.02 1.01 -1.26 -1.52 120.40 123.83 1j2t s VAL 148 Ca 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1j2t s VAL 148 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1j2t s VAL 148 CO 0.02 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1j2t s VAL 149 N 0.29 3.67 -0.08 2.92 1.01 0.61 -4.99 120.40 123.82 1j2t s VAL 149 Ca -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1j2t s VAL 149 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1j2t s VAL 149 CO 0.05 0.46 -0.15 0.54 0.00 0.00 0.00 175.10 176.00 1j2t s VAL 150 N 0.87 2.92 0.02 2.92 0.11 -1.26 -0.65 120.40 125.32 1j2t s VAL 150 Ca -0.01 -0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 58.12 1j2t s VAL 150 Cb -0.15 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1j2t s VAL 150 CO 0.01 0.56 0.40 -1.48 -3.33 0.00 0.00 175.10 171.27 1j2t s LEU 151 N -0.22 0.47 -0.22 2.54 0.05 -0.68 -4.97 118.68 115.65 1j2t s LEU 151 Ca 0.00 0.09 -0.08 0.00 0.05 0.00 0.00 54.13 54.19 1j2t s LEU 151 Cb -0.13 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1j2t s LEU 151 CO 0.03 -0.59 0.08 -0.44 -0.55 0.00 0.00 176.35 174.89 1j2t s SER 152 N -1.71 5.53 0.46 1.48 0.01 -1.26 -0.79 113.70 117.42 1j2t s SER 152 Ca -0.08 -0.02 0.15 0.00 1.31 0.00 0.00 55.95 57.30 1j2t s SER 152 Cb -0.02 -1.97 1.11 0.00 0.21 0.00 0.00 66.02 65.35 1j2t s SER 152 CO 0.01 0.08 2.03 0.10 0.41 0.00 0.00 173.24 175.87 1j2t h TYR 153 N 7.41 0.29 0.00 2.43 -0.00 -1.93 -1.30 116.97 123.88 1j2t h TYR 153 Ca -0.37 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.36 1j2t h TYR 153 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 37.81 1j2t h TYR 153 CO 0.62 0.15 -0.04 0.11 -0.00 0.00 0.00 178.16 179.01 1j2t h TRP 154 N 0.28 0.00 0.00 0.10 0.09 -1.95 -2.58 115.95 111.89 1j2t h TRP 154 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.17 1j2t h TRP 154 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 1j2t h TRP 154 CO -0.00 0.04 0.00 -0.25 0.09 0.00 0.00 178.44 178.32 1j2t n ASP 155 N -3.20 0.05 -0.65 0.11 8.00 -0.49 -1.95 116.55 118.42 1j2t n ASP 155 Ca -0.01 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.13 1j2t n ASP 155 Cb 0.25 -0.52 0.38 0.00 -0.02 0.00 0.00 41.12 41.21 1j2t n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j2t n PHE 156 N -1.55 0.12 -3.15 1.24 3.01 -0.97 -4.37 117.46 111.78 1j2t n PHE 156 Ca 0.02 -0.06 -0.44 0.00 1.01 0.00 0.00 57.45 57.97 1j2t n PHE 156 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1j2t n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j2t n VAL 157 N 0.54 4.54 -0.14 -4.37 0.31 -0.82 -4.64 118.33 113.75 1j2t n VAL 157 Ca 0.17 -5.20 -0.27 0.00 -0.01 0.00 0.00 64.34 59.04 1j2t n VAL 157 Cb 0.41 -2.50 -0.11 0.00 -0.91 0.00 0.00 33.84 30.73 1j2t n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1j2t n LYS 158 N 3.49 0.60 -1.70 5.55 4.76 -1.26 -4.95 118.16 124.66 1j2t n LYS 158 Ca 0.29 0.23 -0.55 0.00 -2.87 0.00 0.00 58.31 55.41 1j2t n LYS 158 Cb 0.39 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 1j2t n LYS 158 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j2t n ASP 159 N -3.98 2.62 0.15 4.39 2.03 -1.26 -4.85 116.55 115.64 1j2t n ASP 159 Ca -0.52 1.05 0.12 0.00 0.52 0.00 0.00 54.79 55.95 1j2t n ASP 159 Cb 0.92 -1.20 0.63 0.00 -0.72 0.00 0.00 41.12 40.75 1j2t n ASP 159 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j2t h PRO 160 N 7.54 0.06 -0.12 -0.67 0.13 -1.98 -0.66 132.00 136.30 1j2t h PRO 160 Ca -0.47 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1j2t h PRO 160 Cb 1.31 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1j2t h PRO 160 CO 0.95 0.04 -0.44 0.00 -0.23 0.00 0.00 178.00 178.32 1j2t h ALA 161 N 1.89 1.04 -0.09 -0.56 0.00 -1.99 0.55 119.26 120.09 1j2t h ALA 161 Ca 0.10 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1j2t h ALA 161 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j2t h ALA 161 CO -0.01 0.62 -0.52 0.28 0.00 0.00 0.00 179.25 179.62 1j2t h VAL 162 N 0.23 1.37 -0.94 0.00 2.07 -1.60 -2.76 116.25 114.62 1j2t h VAL 162 Ca 0.02 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.72 1j2t h VAL 162 Cb 0.87 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 1j2t h VAL 162 CO 0.07 0.55 0.62 0.40 0.02 0.00 0.00 177.57 179.23 1j2t h ILE 163 N 0.10 1.17 -0.66 4.57 1.08 -1.00 -0.92 117.51 121.85 1j2t h ILE 163 Ca -0.04 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1j2t h ILE 163 Cb 1.17 -0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1j2t h ILE 163 CO 0.11 0.22 0.29 -0.61 -0.69 0.00 0.00 178.15 177.47 1j2t h GLN 164 N 1.19 0.97 -0.65 2.37 4.15 -0.84 0.17 115.11 122.47 1j2t h GLN 164 Ca 0.37 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1j2t h GLN 164 Cb 0.00 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1j2t h GLN 164 CO -0.11 0.79 0.13 1.96 -1.93 0.00 0.00 178.83 179.67 1j2t h GLN 165 N 0.92 1.03 -0.01 1.69 4.20 -1.08 -2.84 115.11 119.03 1j2t h GLN 165 Ca 0.22 -0.25 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 1j2t h GLN 165 Cb 0.16 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1j2t h GLN 165 CO -0.02 0.93 -0.85 -0.07 -0.67 0.00 0.00 178.83 178.15 1j2t h LEU 166 N 0.98 0.26 -6.20 1.46 3.38 -0.81 -3.38 115.31 111.00 1j2t h LEU 166 Ca 0.20 -0.21 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1j2t h LEU 166 Cb 0.38 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 40.65 1j2t h LEU 166 CO 0.01 0.99 -0.89 -1.22 0.09 0.00 0.00 178.44 177.42 1j2t n TYR 167 N -3.68 1.11 0.28 1.13 4.02 0.57 -4.95 117.16 115.64 1j2t n TYR 167 Ca -0.04 -3.78 0.15 0.00 -0.01 0.00 0.00 57.90 54.23 1j2t n TYR 167 Cb 0.79 -0.36 0.83 0.00 -0.02 0.00 0.00 39.34 40.58 1j2t n TYR 167 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1j2t h PRO 168 N 4.39 0.00 -0.64 -0.72 0.11 -1.70 -1.26 132.00 132.18 1j2t h PRO 168 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1j2t h PRO 168 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1j2t h PRO 168 CO 0.59 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1j2t n GLU 169 N -3.54 4.13 -0.00 1.05 1.02 -1.26 -5.00 120.64 117.04 1j2t n GLU 169 Ca -0.02 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1j2t n GLU 169 Cb 0.19 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 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 0.67 1.58 3.71 0.62 0.00 -0.48 -5.03 105.19 106.27 1j2t n GLY 170 Ca 0.24 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.03 3.58 -2.28 1.61 5.36 -1.26 -4.94 117.98 120.02 1j2t s PHE 171 Ca 0.00 1.31 0.22 0.00 -0.96 0.00 0.00 56.93 57.50 1j2t s PHE 171 Cb 0.00 -2.85 0.46 0.00 -0.34 0.00 0.00 43.02 40.29 1j2t s PHE 171 CO 0.00 0.06 1.41 1.28 -1.46 0.00 0.00 175.22 176.52 1j2t n LEU 172 N 3.85 3.54 0.00 6.12 4.77 -1.26 -5.06 117.00 128.95 1j2t n LEU 172 Ca -0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1j2t n LEU 172 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1j2t n LEU 172 CO 0.48 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 1j2t n GLY 173 N 1.48 2.67 0.18 -0.72 0.00 -1.26 -4.82 105.19 102.72 1j2t n GLY 173 Ca 0.20 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 1.61 4.06 -2.00 -3.28 115.95 116.34 1j2t h TRP 174 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1j2t h TRP 174 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1j2t h TRP 174 CO 0.00 0.00 -0.02 0.38 -3.56 0.00 0.00 178.44 175.24 1j2t h ASP 175 N 0.00 0.00 -0.38 -3.49 -0.00 -1.94 -2.51 116.42 108.10 1j2t h ASP 175 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1j2t h ASP 175 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1j2t h ASP 175 CO 0.00 0.02 0.00 2.30 -0.00 0.00 0.00 179.24 181.56 1j2t n ILE 176 N -3.52 1.04 -1.48 4.15 -5.35 -1.24 -4.71 119.36 108.25 1j2t n ILE 176 Ca -0.03 -1.03 -0.28 0.00 -0.27 0.00 0.00 62.75 61.15 1j2t n ILE 176 Cb 0.11 0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 38.42 1j2t n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1j2t n GLU 177 N 0.58 2.93 -3.73 6.28 -0.58 -0.95 -2.87 120.64 122.31 1j2t n GLU 177 Ca 0.13 -2.30 -0.38 0.00 -0.42 0.00 0.00 57.16 54.19 1j2t n GLU 177 Cb 0.46 -2.28 -0.12 0.00 -0.57 0.00 0.00 31.44 28.93 1j2t n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j2t s HIS 178 N -0.67 3.29 -0.21 -0.32 5.65 -1.26 -4.56 115.29 117.22 1j2t s HIS 178 Ca 0.61 -1.52 0.00 0.00 0.25 0.00 0.00 55.06 54.40 1j2t s HIS 178 Cb 0.31 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 1j2t s HIS 178 CO -0.13 -0.77 0.00 0.41 -0.65 0.00 0.00 174.74 173.60 1j2t n GLY 179 N 4.81 0.53 0.00 1.59 0.00 -1.26 -1.98 105.19 108.89 1j2t n GLY 179 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.16 1.50 0.26 -0.02 0.00 -1.26 -4.36 105.19 99.14 1j2t n GLY 180 Ca -0.02 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 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 1.16 0.71 1.61 2.07 -1.85 -2.08 116.25 117.87 1j2t h VAL 181 Ca 0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1j2t h VAL 181 Cb 0.00 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1j2t h VAL 181 CO 0.00 0.16 -0.34 0.15 0.02 0.00 0.00 177.57 177.56 1j2t h PHE 182 N 0.87 -0.88 -0.79 1.57 3.04 -1.94 -0.44 116.94 118.36 1j2t h PHE 182 Ca 0.24 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 1j2t h PHE 182 Cb -0.10 0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 1j2t h PHE 182 CO -0.03 -0.55 0.36 0.93 -2.02 0.00 0.00 178.31 177.01 1j2t h GLU 183 N -0.97 1.15 -0.58 1.11 5.08 -1.86 -2.48 114.58 116.03 1j2t h GLU 183 Ca -0.10 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1j2t h GLU 183 Cb 0.73 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1j2t h GLU 183 CO 0.16 0.90 0.12 1.15 -1.00 0.00 0.00 179.01 180.34 1j2t h THR 184 N 1.13 1.25 -0.49 1.13 2.02 -1.38 -1.36 112.91 115.22 1j2t h THR 184 Ca 0.27 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1j2t h THR 184 Cb 0.14 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1j2t h THR 184 CO -0.03 0.35 0.29 0.28 0.37 0.00 0.00 175.52 176.77 1j2t h SER 185 N 0.85 0.59 -0.48 4.18 0.02 -0.96 0.13 113.55 117.87 1j2t h SER 185 Ca 0.18 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1j2t h SER 185 Cb 0.38 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1j2t h SER 185 CO 0.01 0.48 0.29 -0.07 -1.14 0.00 0.00 176.83 176.40 1j2t h LEU 186 N 0.65 0.47 -0.97 5.07 3.38 -1.23 -1.89 115.31 120.80 1j2t h LEU 186 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1j2t h LEU 186 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1j2t h LEU 186 CO -0.03 0.34 0.16 0.24 0.09 0.00 0.00 178.44 179.23 1j2t h MET 187 N 0.58 0.91 -0.25 1.13 2.86 -0.83 -1.28 114.93 118.06 1j2t h MET 187 Ca 0.19 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1j2t h MET 187 Cb 0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1j2t h MET 187 CO -0.08 0.80 0.03 -0.07 1.06 0.00 0.00 176.91 178.65 1j2t h LEU 188 N 0.88 0.34 0.03 1.22 3.38 -0.21 0.27 115.31 121.22 1j2t h LEU 188 Ca 0.19 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 1j2t h LEU 188 Cb 0.29 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1j2t h LEU 188 CO -0.00 0.38 -1.15 0.00 0.09 0.00 0.00 178.44 177.75 1j2t h ALA 189 N 1.67 0.12 0.03 1.53 0.00 -0.89 -3.34 119.26 118.38 1j2t h ALA 189 Ca 0.09 -0.77 -0.39 0.00 0.00 0.00 0.00 54.91 53.84 1j2t h ALA 189 Cb 0.20 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1j2t h ALA 189 CO 0.00 0.77 -2.31 1.28 0.00 0.00 0.00 179.25 178.98 1j2t n LEU 190 N -3.75 2.75 -3.17 0.00 4.77 -0.52 -4.79 117.00 112.29 1j2t n LEU 190 Ca -0.11 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.70 1j2t n LEU 190 Cb 0.94 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1j2t n LEU 190 CO 0.56 0.86 -0.22 -1.22 -1.33 0.00 0.00 177.39 176.03 1j2t n TYR 191 N -3.46 -0.14 0.01 -1.77 4.01 0.93 -4.99 117.16 111.75 1j2t n TYR 191 Ca -0.43 -3.65 0.19 0.00 -0.16 0.00 0.00 57.90 53.85 1j2t n TYR 191 Cb 0.98 -0.30 0.68 0.00 -0.31 0.00 0.00 39.34 40.40 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 3.30 0.01 0.00 -0.72 0.13 -1.62 -0.48 132.00 132.62 1j2t h PRO 192 Ca 0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j2t h PRO 192 Cb 0.95 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1j2t h PRO 192 CO 0.47 0.01 0.00 -0.44 -0.23 0.00 0.00 178.00 177.81 1j2t h ASP 193 N 0.01 0.00 -0.19 1.44 3.45 -1.92 -2.52 116.42 116.69 1j2t h ASP 193 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1j2t h ASP 193 Cb 0.96 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 1j2t h ASP 193 CO -0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 1j2t n LEU 194 N -2.34 2.12 -4.08 1.55 4.77 -0.19 -4.85 117.00 113.98 1j2t n LEU 194 Ca 0.02 -0.86 -0.22 0.00 -0.03 0.00 0.00 56.01 54.92 1j2t n LEU 194 Cb 0.22 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 1j2t n LEU 194 CO 0.20 0.43 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.53 1j2t s VAL 195 N -1.77 1.00 -0.43 4.08 1.01 -0.95 -2.97 120.40 120.37 1j2t s VAL 195 Ca 0.34 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1j2t s VAL 195 Cb 0.19 -0.85 0.13 0.00 0.00 0.00 0.00 36.38 35.85 1j2t s VAL 195 CO 0.28 0.29 0.21 -0.62 0.00 0.00 0.00 175.10 175.26 1j2t s ASP 196 N -0.21 3.96 0.61 3.32 -1.08 0.01 -4.96 116.67 118.32 1j2t s ASP 196 Ca 0.03 -2.54 0.33 0.00 -0.52 0.00 0.00 52.55 49.84 1j2t s ASP 196 Cb -0.06 -1.21 1.88 0.00 -1.46 0.00 0.00 42.92 42.08 1j2t s ASP 196 CO -0.00 -0.29 2.20 0.25 0.52 0.00 0.00 175.17 177.85 1j2t h LEU 197 N 6.93 0.00 -2.05 -1.34 5.85 -1.96 -0.62 115.31 122.12 1j2t h LEU 197 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j2t h LEU 197 Cb 0.94 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1j2t h LEU 197 CO 0.53 0.00 -0.02 0.44 -0.34 0.00 0.00 178.44 179.05 1j2t h ASP 198 N 0.00 0.00 0.11 1.25 3.32 -1.95 -2.43 116.42 116.72 1j2t h ASP 198 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1j2t h ASP 198 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1j2t h ASP 198 CO -0.00 0.02 -0.10 0.54 -1.72 0.00 0.00 179.24 177.98 1j2t n ARG 199 N -3.17 1.26 -1.73 3.56 1.74 -0.24 -4.90 116.66 113.17 1j2t n ARG 199 Ca -0.01 -0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 55.95 1j2t n ARG 199 Cb 0.22 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.22 2.04 -0.37 1.55 1.01 -0.92 -4.35 120.40 117.15 1j2t s VAL 200 Ca 0.33 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1j2t s VAL 200 Cb 0.20 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1j2t s VAL 200 CO 0.42 0.00 0.47 -0.69 0.00 0.00 0.00 175.10 175.30 1j2t s VAL 201 N 1.17 5.05 -1.50 2.92 1.01 -1.26 -4.99 120.40 122.81 1j2t s VAL 201 Ca 0.75 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1j2t s VAL 201 Cb -0.50 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1j2t s VAL 201 CO 0.32 -0.24 2.46 -0.67 0.00 0.00 0.00 175.10 176.97 1j2t n ASP 202 N 5.66 5.91 -4.93 3.32 2.03 -1.26 -4.72 116.55 122.56 1j2t n ASP 202 Ca -0.06 -2.79 -0.25 0.00 0.52 0.00 0.00 54.79 52.21 1j2t n ASP 202 Cb 0.49 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 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 2.35 3.38 0.74 -0.67 -3.43 -1.26 -5.01 115.29 111.38 1j2t s HIS 203 Ca 0.55 0.53 -0.13 0.00 -0.80 0.00 0.00 55.06 55.21 1j2t s HIS 203 Cb 0.15 -2.35 0.04 0.00 -1.43 0.00 0.00 32.58 29.00 1j2t s HIS 203 CO -0.07 -0.37 1.12 -1.25 -2.00 0.00 0.00 174.74 172.17 1j2t s PRO 204 N -4.68 2.33 0.43 -0.38 0.04 -1.26 -4.13 135.00 127.35 1j2t s PRO 204 Ca 0.48 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1j2t s PRO 204 Cb -0.10 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1j2t s PRO 204 CO 0.42 -1.62 1.40 -2.30 0.04 0.00 0.00 177.00 174.94 1j2t n PRO 205 N -3.04 2.22 -2.29 0.56 -0.02 -1.26 -4.82 135.00 126.35 1j2t n PRO 205 Ca 0.10 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 1j2t n PRO 205 Cb 0.52 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1j2t n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2t s ALA 206 N -1.18 3.46 0.10 3.55 0.00 -0.40 -5.02 121.76 122.26 1j2t s ALA 206 Ca 0.60 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.70 1j2t s ALA 206 Cb -0.47 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1j2t s ALA 206 CO 0.58 -0.42 -0.17 0.95 0.00 0.00 0.00 175.76 176.71 1j2t s THR 207 N -0.94 1.41 0.04 0.00 -4.23 -1.26 -4.94 115.64 105.73 1j2t s THR 207 Ca 0.48 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1j2t s THR 207 Cb -0.36 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 1j2t s THR 207 CO 0.45 -0.23 0.02 -0.36 -0.54 0.00 0.00 174.62 173.97 1j2t s PHE 208 N -1.52 0.34 0.91 3.99 0.40 -1.26 -5.05 117.98 115.79 1j2t s PHE 208 Ca 0.05 -0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1j2t s PHE 208 Cb -0.08 -0.25 0.13 0.00 0.51 0.00 0.00 43.02 43.33 1j2t s PHE 208 CO 0.03 -0.34 1.12 -1.25 0.70 0.00 0.00 175.22 175.48 1j2t s PRO 209 N -2.96 1.19 -0.01 0.24 0.04 -1.26 -4.91 135.00 127.33 1j2t s PRO 209 Ca -0.02 0.43 -0.00 0.00 0.04 0.00 0.00 61.00 61.45 1j2t s PRO 209 Cb 0.01 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1j2t s PRO 209 CO -0.06 -2.19 1.87 -0.35 0.04 0.00 0.00 177.00 176.31 1j2t n PRO 210 N -3.79 1.03 -3.89 0.56 -0.04 -1.26 -4.77 135.00 122.85 1j2t n PRO 210 Ca 0.06 -0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1j2t n PRO 210 Cb 0.58 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.08 0.08 0.16 0.54 -0.85 -1.26 -5.18 117.35 110.76 1j2t s TYR 211 Ca 0.01 -0.46 0.09 0.00 -0.52 0.00 0.00 57.07 56.19 1j2t s TYR 211 Cb 0.01 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 1j2t s TYR 211 CO 0.00 -1.04 -0.20 -0.51 -1.52 0.00 0.00 175.55 172.29 1j2t s ASP 212 N -2.95 2.76 -0.05 -0.18 1.11 -1.26 -5.10 116.67 111.00 1j2t s ASP 212 Ca 0.16 -0.83 0.04 0.00 0.18 0.00 0.00 52.55 52.10 1j2t s ASP 212 Cb -0.02 -0.17 -0.00 0.00 1.07 0.00 0.00 42.92 43.80 1j2t s ASP 212 CO 0.05 0.00 -0.18 -0.69 1.18 0.00 0.00 175.17 175.53 1j2t s VAL 213 N -1.84 1.52 -0.03 -1.27 1.01 -1.26 -5.12 120.40 113.41 1j2t s VAL 213 Ca 0.15 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1j2t s VAL 213 Cb -0.07 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1j2t s VAL 213 CO 0.07 0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 175.11 1j2t s PHE 214 N 0.03 1.35 0.63 5.22 0.08 -1.26 -3.39 117.98 120.64 1j2t s PHE 214 Ca -0.04 -0.36 -0.17 0.00 0.12 0.00 0.00 56.93 56.48 1j2t s PHE 214 Cb -0.12 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1j2t s PHE 214 CO 0.03 -0.12 1.19 -1.25 -0.10 0.00 0.00 175.22 174.96 1j2t s PRO 215 N 0.06 2.80 0.20 0.24 0.04 -1.26 -5.07 135.00 132.02 1j2t s PRO 215 Ca -0.02 1.73 -0.32 0.00 0.04 0.00 0.00 61.00 62.43 1j2t s PRO 215 Cb -0.10 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1j2t s PRO 215 CO 0.01 -1.32 1.64 0.54 0.04 0.00 0.00 177.00 177.91 1j2t s VAL 216 N -1.81 2.28 -0.45 -0.36 0.11 -1.22 -4.96 120.40 114.00 1j2t s VAL 216 Ca 0.75 0.21 -0.22 0.00 -2.93 0.00 0.00 61.98 59.79 1j2t s VAL 216 Cb -0.28 -3.13 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1j2t s VAL 216 CO 0.36 0.02 0.70 -0.62 -3.33 0.00 0.00 175.10 172.23 1j2t s ASP 217 N 1.06 6.34 0.62 3.54 3.68 -1.26 -4.96 116.67 125.69 1j2t s ASP 217 Ca 0.71 -0.31 0.36 0.00 2.13 0.00 0.00 52.55 55.44 1j2t s ASP 217 Cb -0.47 -2.34 2.03 0.00 -1.45 0.00 0.00 42.92 40.69 1j2t s ASP 217 CO 0.34 -0.85 2.28 -0.65 0.13 0.00 0.00 175.17 176.42 1j2t h PRO 218 N 8.94 0.00 0.00 4.34 0.11 -1.95 -2.18 132.00 141.26 1j2t h PRO 218 Ca -0.25 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 1j2t h PRO 218 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1j2t h PRO 218 CO 0.93 0.01 -0.21 0.00 -0.21 0.00 0.00 178.00 178.52 1j2t h ALA 219 N 1.99 1.21 0.00 -0.75 0.00 -2.00 -2.63 119.26 117.08 1j2t h ALA 219 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j2t h ALA 219 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1j2t h ALA 219 CO 0.00 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.06 1j2t n ARG 220 N -3.65 0.11 -4.09 0.00 1.74 -0.82 -4.66 116.66 105.29 1j2t n ARG 220 Ca -0.01 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.78 1j2t n ARG 220 Cb 0.34 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.87 4.77 0.29 0.55 2.01 -0.99 -4.89 115.64 114.50 1j2t s THR 221 Ca 0.16 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1j2t s THR 221 Cb 0.17 -3.10 -0.13 0.00 0.01 0.00 0.00 72.50 69.45 1j2t s THR 221 CO 0.43 0.53 1.28 -2.65 -0.69 0.00 0.00 174.62 173.52 1j2t n PRO 222 N 2.87 1.92 -0.32 4.92 -0.02 -1.26 -4.85 135.00 138.26 1j2t n PRO 222 Ca -0.18 0.68 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1j2t n PRO 222 Cb 0.53 -2.24 0.24 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.07 1.03 0.00 3.55 0.00 -1.90 0.16 119.26 125.17 1j2t h ALA 223 Ca -0.44 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j2t h ALA 223 Cb 1.29 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1j2t h ALA 223 CO 0.67 -0.51 0.00 -1.35 0.00 0.00 0.00 179.25 178.06 1j2t h PRO 224 N 0.05 0.00 0.00 0.00 0.11 -1.97 -3.46 132.00 126.73 1j2t h PRO 224 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1j2t h PRO 224 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j2t h PRO 224 CO -0.84 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.36 1j2t n GLY 225 N -0.37 1.91 3.83 -0.55 0.00 0.56 -3.69 105.19 106.87 1j2t n GLY 225 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.42 4.33 -1.17 2.61 -4.23 -1.26 -4.42 115.64 109.08 1j2t s THR 226 Ca 0.00 1.26 0.21 0.00 -1.18 0.00 0.00 61.69 61.97 1j2t s THR 226 Cb 0.00 -3.61 -0.18 0.00 1.34 0.00 0.00 72.50 70.04 1j2t s THR 226 CO 0.00 -0.50 0.91 0.18 -0.54 0.00 0.00 174.62 174.67 1j2t n LEU 227 N -1.25 1.17 -3.57 4.79 4.77 -0.84 -4.38 117.00 117.70 1j2t n LEU 227 Ca 0.07 -0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1j2t n LEU 227 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1j2t n LEU 227 CO 0.43 0.27 0.25 -0.94 -1.33 0.00 0.00 177.39 176.06 1j2t s SER 228 N -2.84 -0.37 0.05 -1.43 1.04 -1.14 -1.28 113.70 107.73 1j2t s SER 228 Ca 0.10 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1j2t s SER 228 Cb 0.16 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1j2t s SER 228 CO 0.79 -0.85 0.99 -0.55 0.98 0.00 0.00 173.24 174.60 1j2t s SER 229 N -2.59 7.40 -0.17 7.02 0.15 -1.26 -4.03 113.70 120.22 1j2t s SER 229 Ca 0.00 1.74 0.13 0.00 0.70 0.00 0.00 55.95 58.53 1j2t s SER 229 Cb 0.00 -2.58 0.68 0.00 -1.71 0.00 0.00 66.02 62.42 1j2t s SER 229 CO -0.10 -0.19 1.55 0.00 1.20 0.00 0.00 173.24 175.70 1j2t n ALA 230 N 3.43 3.49 -0.31 5.45 0.00 -1.26 -4.03 120.51 127.28 1j2t n ALA 230 Ca 0.05 -1.55 0.13 0.00 0.00 0.00 0.00 53.44 52.06 1j2t n ALA 230 Cb 0.50 -1.08 0.30 0.00 0.00 0.00 0.00 19.45 19.16 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 3.47 0.43 -0.44 0.00 3.64 -1.93 -0.67 116.57 121.07 1j2t h LYS 231 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j2t h LYS 231 Cb 1.62 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1j2t h LYS 231 CO 0.36 0.28 0.00 0.25 -2.27 0.00 0.00 179.45 178.07 1j2t n THR 232 N -5.01 0.60 -1.96 1.00 -2.24 -1.26 -4.93 114.28 100.47 1j2t n THR 232 Ca 0.22 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 61.06 1j2t n THR 232 Cb 0.63 0.26 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.46 2.51 0.11 6.98 0.00 -0.26 -5.03 121.76 124.62 1j2t s ALA 233 Ca 0.28 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1j2t s ALA 233 Cb 0.15 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1j2t s ALA 233 CO 0.19 -1.23 0.45 -1.54 0.00 0.00 0.00 175.76 173.62 1j2t s SER 234 N -1.63 -0.32 0.22 0.00 1.04 -1.26 -4.94 113.70 106.81 1j2t s SER 234 Ca 0.77 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.95 1j2t s SER 234 Cb -0.31 0.49 0.28 0.00 0.10 0.00 0.00 66.02 66.58 1j2t s SER 234 CO 0.34 -0.83 1.80 -0.09 0.98 0.00 0.00 173.24 175.44 1j2t h ARG 235 N 2.43 0.66 -0.72 4.02 2.43 -1.85 -1.97 114.38 119.38 1j2t h ARG 235 Ca -0.33 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1j2t h ARG 235 Cb 1.25 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1j2t h ARG 235 CO 0.44 0.44 0.23 0.93 -1.51 0.00 0.00 179.97 180.51 1j2t h GLU 236 N 0.68 1.11 -0.83 0.20 3.07 -1.95 -0.26 114.58 116.59 1j2t h GLU 236 Ca 0.32 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1j2t h GLU 236 Cb 0.24 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1j2t h GLU 236 CO -0.21 0.94 0.44 0.87 -1.40 0.00 0.00 179.01 179.65 1j2t h LYS 237 N 1.05 1.18 -0.79 2.33 1.57 -1.83 -1.74 116.57 118.33 1j2t h LYS 237 Ca 0.23 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1j2t h LYS 237 Cb 0.29 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1j2t h LYS 237 CO -0.01 0.88 0.32 0.78 -0.57 0.00 0.00 179.45 180.85 1j2t h GLY 238 N 1.17 1.27 1.04 3.86 0.00 -0.65 -1.03 103.07 108.73 1j2t h GLY 238 Ca 0.29 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1j2t h GLY 238 CO -0.04 0.64 0.17 0.83 0.00 0.00 0.00 176.54 178.14 1j2t h GLU 239 N 1.15 1.06 0.09 4.80 5.08 -0.75 -0.04 114.58 125.97 1j2t h GLU 239 Ca 0.27 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j2t h GLU 239 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1j2t h GLU 239 CO -0.02 0.94 -0.04 1.25 -1.00 0.00 0.00 179.01 180.14 1j2t h LEU 240 N 0.98 -0.10 -0.55 1.33 5.85 -1.01 -1.61 115.31 120.21 1j2t h LEU 240 Ca 0.21 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1j2t h LEU 240 Cb 0.36 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1j2t h LEU 240 CO 0.00 0.17 0.11 0.40 -0.34 0.00 0.00 178.44 178.78 1j2t h ILE 241 N -0.37 0.68 -0.07 4.05 2.04 -1.07 -1.22 117.51 121.55 1j2t h ILE 241 Ca -0.01 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1j2t h ILE 241 Cb 0.31 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1j2t h ILE 241 CO 0.02 0.04 0.01 0.25 0.00 0.00 0.00 178.15 178.48 1j2t h LEU 242 N 0.25 -0.00 -0.60 1.44 5.85 -0.85 0.79 115.31 122.19 1j2t h LEU 242 Ca 0.28 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1j2t h LEU 242 Cb 0.40 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1j2t h LEU 242 CO -0.37 0.01 0.26 -0.33 -0.34 0.00 0.00 178.44 177.67 1j2t h GLU 243 N 0.04 0.88 0.00 1.25 4.39 -0.89 -0.65 114.58 119.61 1j2t h GLU 243 Ca 0.03 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1j2t h GLU 243 Cb 0.03 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1j2t h GLU 243 CO -0.05 0.73 -0.00 0.28 -1.16 0.00 0.00 179.01 178.82 1j2t h VAL 244 N 0.82 1.13 -0.15 3.13 2.07 -0.99 -1.38 116.25 120.89 1j2t h VAL 244 Ca 0.20 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1j2t h VAL 244 Cb 0.17 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1j2t h VAL 244 CO -0.02 0.10 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1j2t h VAL 246 N 0.17 1.09 -0.26 0.00 2.07 -1.10 -1.10 116.25 117.12 1j2t h VAL 246 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1j2t h VAL 246 Cb 0.03 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1j2t h VAL 246 CO -0.01 0.09 0.07 -0.61 0.02 0.00 0.00 177.57 177.13 1j2t h GLN 247 N 0.48 0.41 -0.66 1.57 5.75 -1.10 -1.21 115.11 120.35 1j2t h GLN 247 Ca 0.13 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1j2t h GLN 247 Cb -0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1j2t h GLN 247 CO -0.03 0.49 0.33 0.78 -2.65 0.00 0.00 178.83 177.75 1j2t h GLY 248 N 0.25 1.01 0.92 2.39 0.00 -1.13 -0.78 103.07 105.73 1j2t h GLY 248 Ca 0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1j2t h GLY 248 CO -0.00 0.47 -0.34 -2.22 0.00 0.00 0.00 176.54 174.44 1j2t h ILE 249 N 0.91 1.33 -0.70 2.60 2.04 -1.16 -0.98 117.51 121.55 1j2t h ILE 249 Ca 0.23 -1.56 0.07 0.00 1.00 0.00 0.00 64.86 64.60 1j2t h ILE 249 Cb 0.10 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1j2t h ILE 249 CO -0.03 0.48 0.39 0.00 0.00 0.00 0.00 178.15 178.99 1j2t h ALA 250 N 0.62 0.95 -0.43 1.87 0.00 -1.04 0.19 119.26 121.42 1j2t h ALA 250 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1j2t h ALA 250 Cb 0.93 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1j2t h ALA 250 CO 0.08 0.06 0.10 -0.44 0.00 0.00 0.00 179.25 179.04 1j2t h ASP 251 N 0.70 0.66 -0.58 0.00 3.32 -0.98 -1.61 116.42 117.93 1j2t h ASP 251 Ca 0.32 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1j2t h ASP 251 Cb 0.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1j2t h ASP 251 CO -0.20 0.73 0.28 0.00 -1.72 0.00 0.00 179.24 178.33 1j2t h ALA 252 N 0.96 0.75 -0.58 3.45 0.00 -0.58 -1.98 119.26 121.29 1j2t h ALA 252 Ca 0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1j2t h ALA 252 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j2t h ALA 252 CO 0.00 0.31 0.01 0.82 0.00 0.00 0.00 179.25 180.40 1j2t h ILE 253 N 0.79 1.26 -0.47 0.00 2.04 -0.87 -1.67 117.51 118.59 1j2t h ILE 253 Ca 0.20 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1j2t h ILE 253 Cb 0.12 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1j2t h ILE 253 CO -0.03 0.40 0.23 0.03 0.00 0.00 0.00 178.15 178.79 1j2t h ARG 254 N 0.90 0.65 -0.14 2.37 3.08 -1.07 0.57 114.38 120.74 1j2t h ARG 254 Ca 0.16 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1j2t h ARG 254 Cb 0.53 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1j2t h ARG 254 CO 0.03 0.51 -0.02 1.49 -1.07 0.00 0.00 179.97 180.90 1j2t h GLU 255 N 0.66 0.27 0.00 0.04 4.57 -1.01 -2.80 114.58 116.31 1j2t h GLU 255 Ca 0.17 -0.10 -0.22 0.00 -1.18 0.00 0.00 59.36 58.03 1j2t h GLU 255 Cb 0.07 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1j2t h GLU 255 CO -0.02 0.54 -1.07 0.93 -1.18 0.00 0.00 179.01 178.20 1j2t h GLU 256 N -0.03 0.01 -2.26 1.92 4.39 -0.92 -3.39 114.58 114.30 1j2t h GLU 256 Ca 0.04 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.14 1j2t h GLU 256 Cb 0.43 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.68 1j2t h GLU 256 CO 0.01 0.96 -0.80 1.19 -1.16 0.00 0.00 179.01 179.21 1j2t n PHE 257 N -3.32 1.83 -1.91 4.33 3.72 0.20 -5.09 117.46 117.21 1j2t n PHE 257 Ca -0.02 -3.90 -0.38 0.00 -0.05 0.00 0.00 57.45 53.11 1j2t n PHE 257 Cb 0.95 -0.42 0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1j2t n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1j2t s PRO 258 N -1.68 3.25 0.00 -1.08 0.02 -1.06 -4.50 135.00 129.95 1j2t s PRO 258 Ca 0.36 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1j2t s PRO 258 Cb 0.12 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1j2t s PRO 258 CO -0.08 -1.06 0.50 -2.30 -0.33 0.00 0.00 177.00 173.73