#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 -2.56 -0.84 4.39 2.88 -1.26 -4.93 113.62 111.30 1j2t n SER 4 Ca 0.00 0.71 0.12 0.00 -1.33 0.00 0.00 58.87 58.37 1j2t n SER 4 Cb 0.00 -0.98 0.09 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 -1.50 0.00 -3.17 2.46 0.24 -1.26 -4.92 118.33 110.18 1j2t n VAL 5 Ca 0.10 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.56 1j2t n VAL 5 Cb 0.46 1.41 -0.07 0.00 -1.47 0.00 0.00 33.84 34.18 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 -2.11 3.32 0.29 6.34 0.40 -1.26 0.37 117.98 125.33 1j2t s PHE 6 Ca 0.26 0.79 0.04 0.00 -0.60 0.00 0.00 56.93 57.43 1j2t s PHE 6 Cb 0.20 -2.77 0.71 0.00 0.51 0.00 0.00 43.02 41.66 1j2t s PHE 6 CO 0.37 -0.24 1.76 0.28 0.70 0.00 0.00 175.22 178.08 1j2t h VAL 7 N 5.30 0.66 0.00 -0.44 2.07 -1.41 -0.35 116.25 122.08 1j2t h VAL 7 Ca -0.30 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1j2t h VAL 7 Cb 1.14 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1j2t h VAL 7 CO 0.75 0.12 -0.01 1.23 0.02 0.00 0.00 177.57 179.68 1j2t h GLY 8 N 0.66 0.00 -1.52 2.17 0.00 -1.93 -2.08 103.07 100.38 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 -0.41 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.31 1j2t n GLU 9 N -3.96 2.13 -3.99 4.80 1.02 -0.15 -4.91 120.64 115.58 1j2t n GLU 9 Ca -0.03 -1.67 -0.22 0.00 -0.02 0.00 0.00 57.16 55.22 1j2t n GLU 9 Cb 0.09 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.85 4.25 0.62 -4.62 1.43 -0.78 -4.95 118.68 112.78 1j2t s LEU 10 Ca 0.33 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1j2t s LEU 10 Cb 0.20 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1j2t s LEU 10 CO 0.31 -0.05 0.98 0.42 0.23 0.00 0.00 176.35 178.24 1j2t s THR 11 N -1.97 3.95 0.43 5.49 -4.23 -1.26 -4.91 115.64 113.14 1j2t s THR 11 Ca 0.34 0.37 0.13 0.00 -1.18 0.00 0.00 61.69 61.35 1j2t s THR 11 Cb -0.09 -3.59 0.18 0.00 1.34 0.00 0.00 72.50 70.34 1j2t s THR 11 CO 0.28 -0.71 1.98 4.11 -0.54 0.00 0.00 174.62 179.75 1j2t h TRP 12 N -0.33 0.09 -0.47 3.99 5.08 -1.99 -1.23 115.95 121.09 1j2t h TRP 12 Ca -0.45 -0.01 -0.11 0.00 1.08 0.00 0.00 58.89 59.40 1j2t h TRP 12 Cb 1.24 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1j2t h TRP 12 CO 0.53 0.23 -0.14 0.87 -1.28 0.00 0.00 178.44 178.65 1j2t h LYS 13 N 0.08 0.92 -0.43 0.12 1.79 -1.98 0.62 116.57 117.69 1j2t h LYS 13 Ca 0.02 -0.36 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 1j2t h LYS 13 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1j2t h LYS 13 CO 0.02 1.02 -0.06 0.93 -1.08 0.00 0.00 179.45 180.28 1j2t h GLU 14 N 0.76 0.79 -0.16 3.15 5.08 -1.79 -1.27 114.58 121.13 1j2t h GLU 14 Ca 0.12 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1j2t h GLU 14 Cb 0.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1j2t h GLU 14 CO 0.05 0.89 0.08 -0.92 -1.00 0.00 0.00 179.01 178.11 1j2t h TYR 15 N 0.62 0.24 -0.51 4.33 3.20 -1.16 -1.99 116.97 121.68 1j2t h TYR 15 Ca 0.11 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1j2t h TYR 15 Cb 0.57 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 1j2t h TYR 15 CO 0.04 0.27 0.17 1.49 -1.64 0.00 0.00 178.16 178.49 1j2t h GLU 16 N 0.14 0.33 -0.89 1.82 4.81 -0.73 -1.32 114.58 118.73 1j2t h GLU 16 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1j2t h GLU 16 Cb 0.12 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1j2t h GLU 16 CO -0.01 0.22 0.52 0.00 -0.73 0.00 0.00 179.01 179.01 1j2t h ALA 17 N 1.35 1.23 -0.54 2.92 0.00 -1.03 0.07 119.26 123.26 1j2t h ALA 17 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1j2t h ALA 17 Cb 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1j2t h ALA 17 CO -0.27 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 1j2t h ARG 18 N 1.24 1.00 -0.45 0.00 2.47 -0.56 -2.64 114.38 115.44 1j2t h ARG 18 Ca 0.32 -0.35 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 1j2t h ARG 18 Cb -0.02 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1j2t h ARG 18 CO -0.06 1.03 -0.24 0.28 0.56 0.00 0.00 179.97 181.55 1j2t h VAL 19 N 0.88 1.27 0.00 2.04 2.07 -0.98 -3.05 116.25 118.48 1j2t h VAL 19 Ca 0.15 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1j2t h VAL 19 Cb 0.63 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1j2t h VAL 19 CO 0.04 0.48 -0.02 0.00 0.02 0.00 0.00 177.57 178.09 1j2t h ALA 20 N 0.91 1.55 0.00 1.67 0.00 -0.72 -2.10 119.26 120.58 1j2t h ALA 20 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j2t h ALA 20 Cb 0.81 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1j2t h ALA 20 CO 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 179.25 179.34 1j2t h ALA 21 N 1.98 1.19 0.00 0.00 0.00 -1.36 -3.47 119.26 117.61 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 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j2t h ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1j2t n GLY 22 N -1.15 3.19 0.87 0.00 0.00 -0.79 -4.88 105.19 102.44 1j2t n GLY 22 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 1.36 -4.71 1.61 3.85 -1.26 -5.02 116.55 112.38 1j2t n ASP 23 Ca 0.00 -2.94 -0.42 0.00 -0.71 0.00 0.00 54.79 50.72 1j2t n ASP 23 Cb 0.00 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.34 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 1.34 4.87 -0.00 0.00 1.01 -1.26 -4.22 120.40 122.14 1j2t s VAL 25 Ca 0.65 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1j2t s VAL 25 Cb -0.36 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1j2t s VAL 25 CO 0.30 0.43 -0.02 -0.76 0.00 0.00 0.00 175.10 175.05 1j2t s LEU 26 N 0.58 3.42 -0.05 3.92 1.43 -0.48 -1.44 118.68 126.06 1j2t s LEU 26 Ca 0.04 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1j2t s LEU 26 Cb -0.13 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1j2t s LEU 26 CO 0.01 0.28 -0.17 -0.04 0.23 0.00 0.00 176.35 176.66 1j2t s MET 27 N -1.50 1.89 -0.24 1.70 -1.94 0.10 -0.27 119.30 119.04 1j2t s MET 27 Ca 0.19 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.57 1j2t s MET 27 Cb -0.11 -1.61 0.06 0.00 2.01 0.00 0.00 34.83 35.18 1j2t s MET 27 CO 0.09 0.22 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.07 1j2t s LEU 28 N 0.13 2.81 0.17 -0.03 2.96 0.53 0.05 118.68 125.31 1j2t s LEU 28 Ca -0.06 -1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 52.34 1j2t s LEU 28 Cb -0.13 -1.31 -0.08 0.00 0.50 0.00 0.00 46.19 45.18 1j2t s LEU 28 CO 0.03 -0.21 1.18 -2.84 -1.32 0.00 0.00 176.35 173.19 1j2t s PRO 29 N 1.30 4.50 -0.23 0.98 0.02 -1.26 -1.10 135.00 139.21 1j2t s PRO 29 Ca -0.06 1.83 0.01 0.00 0.02 0.00 0.00 61.00 62.80 1j2t s PRO 29 Cb -0.19 -3.26 0.06 0.00 0.02 0.00 0.00 34.50 31.13 1j2t s PRO 29 CO -0.06 -0.08 -0.06 0.08 -0.33 0.00 0.00 177.00 176.55 1j2t s VAL 30 N 0.05 1.54 0.00 3.83 1.01 -0.44 -1.18 120.40 125.21 1j2t s VAL 30 Ca 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1j2t s VAL 30 Cb -0.32 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1j2t s VAL 30 CO 0.35 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1j2t n GLY 31 N 4.67 4.31 3.59 4.51 0.00 -0.08 -0.39 105.19 121.80 1j2t n GLY 31 Ca -0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.17 -2.03 -0.32 4.61 0.00 -1.22 -3.19 121.76 117.43 1j2t s ALA 32 Ca 0.00 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1j2t s ALA 32 Cb 0.00 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1j2t s ALA 32 CO 0.00 -0.66 0.05 -1.17 0.00 0.00 0.00 175.76 173.98 1j2t s LEU 33 N -2.31 4.09 -0.15 0.00 2.96 -1.08 -4.10 118.68 118.08 1j2t s LEU 33 Ca 0.09 -1.18 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 1j2t s LEU 33 Cb -0.01 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1j2t s LEU 33 CO -0.05 -0.29 0.46 -0.70 -1.32 0.00 0.00 176.35 174.45 1j2t s GLU 34 N 1.34 0.57 0.30 1.98 2.12 -0.49 -1.31 118.70 123.21 1j2t s GLU 34 Ca -0.03 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 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 0.01 -0.09 1.21 0.00 -0.54 0.00 0.00 175.26 175.85 1j2t n GLN 35 N 2.61 1.81 -2.63 4.30 -0.00 -1.26 -4.35 117.38 117.86 1j2t n GLN 35 Ca -0.14 0.64 -0.12 0.00 -0.00 0.00 0.00 57.00 57.37 1j2t n GLN 35 Cb 0.57 -2.15 0.03 0.00 -0.00 0.00 0.00 30.24 28.68 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 0.60 1.58 -3.82 2.61 8.25 -1.26 -4.98 115.22 118.19 1j2t n HIS 36 Ca 0.08 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 1j2t n HIS 36 Cb 0.33 -0.32 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 -0.16 -2.06 0.17 -1.41 0.00 -1.24 -3.83 105.19 96.66 1j2t n GLY 37 Ca 0.15 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.02 1.61 3.86 -1.83 -3.37 115.15 115.40 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 -0.15 -2.39 0.86 0.00 0.00 177.93 176.25 1j2t n HIS 39 N -2.87 0.00 -3.91 2.45 1.44 -1.26 -4.87 115.22 106.19 1j2t n HIS 39 Ca 0.02 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 1j2t n HIS 39 Cb 0.53 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 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 -2.00 0.53 1.00 -1.40 0.00 -1.25 -0.71 119.30 115.47 1j2t s MET 40 Ca 0.23 -0.63 -0.16 0.00 0.00 0.00 0.00 55.69 55.13 1j2t s MET 40 Cb 0.18 0.21 0.20 0.00 0.00 0.00 0.00 34.83 35.42 1j2t s MET 40 CO 0.36 -0.13 1.21 0.00 0.00 0.00 0.00 175.02 176.46 1j2t n MET 42 N -3.99 0.20 -0.52 0.00 0.00 -1.26 -4.21 117.12 107.33 1j2t n MET 42 Ca 0.12 -0.14 0.08 0.00 0.00 0.00 0.00 57.70 57.75 1j2t n MET 42 Cb 0.59 -1.50 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 -1.27 4.05 -0.25 7.83 2.04 -1.26 -1.40 115.26 125.00 1j2t n ASN 43 Ca 0.06 -2.38 0.05 0.00 -0.44 0.00 0.00 54.58 51.88 1j2t n ASN 43 Cb 0.35 -0.53 0.17 0.00 -2.53 0.00 0.00 39.78 37.24 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 3.41 0.43 0.00 3.53 2.07 -1.82 -0.63 116.25 123.23 1j2t h VAL 44 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1j2t h VAL 44 Cb 1.26 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1j2t h VAL 44 CO 0.20 0.03 0.00 0.44 0.02 0.00 0.00 177.57 178.26 1j2t h ASP 45 N 0.17 0.00 0.00 0.57 3.32 -1.81 -0.37 116.42 118.30 1j2t h ASP 45 Ca 0.41 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.24 1j2t h ASP 45 Cb 0.72 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1j2t h ASP 45 CO -0.58 0.00 -1.23 0.52 -1.72 0.00 0.00 179.24 176.23 1j2t n VAL 46 N -2.42 1.53 -0.22 -1.35 0.31 -0.37 -4.01 118.33 111.80 1j2t n VAL 46 Ca 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1j2t n VAL 46 Cb 0.20 -2.07 0.11 0.00 -0.91 0.00 0.00 33.84 31.17 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 -1.00 0.37 0.37 7.52 3.38 -0.68 -2.16 115.31 123.11 1j2t h LEU 47 Ca -0.33 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1j2t h LEU 47 Cb 1.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1j2t h LEU 47 CO -0.20 0.22 -0.18 -0.07 0.09 0.00 0.00 178.44 178.30 1j2t h LEU 48 N 0.52 -0.43 -1.34 1.67 3.38 -1.32 -1.65 115.31 116.14 1j2t h LEU 48 Ca 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1j2t h LEU 48 Cb 0.31 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1j2t h LEU 48 CO -0.25 -0.06 0.08 1.55 0.09 0.00 0.00 178.44 179.85 1j2t h PRO 49 N -0.84 0.53 -0.55 1.13 0.13 -1.76 -1.87 132.00 128.77 1j2t h PRO 49 Ca -0.05 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1j2t h PRO 49 Cb 0.53 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1j2t h PRO 49 CO 0.08 0.49 0.31 1.15 -0.23 0.00 0.00 178.00 179.80 1j2t h THR 50 N 0.52 1.18 -0.35 1.56 2.02 -1.33 0.26 112.91 116.78 1j2t h THR 50 Ca 0.12 -0.45 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1j2t h THR 50 Cb 0.21 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1j2t h THR 50 CO -0.00 0.19 -0.23 0.00 0.37 0.00 0.00 175.52 175.85 1j2t h ALA 51 N 1.14 0.96 -0.16 6.16 0.00 -0.92 -0.12 119.26 126.30 1j2t h ALA 51 Ca 0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1j2t h ALA 51 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1j2t h ALA 51 CO -0.03 0.61 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 1j2t h VAL 52 N 0.59 1.32 -0.73 0.00 2.07 -1.00 -2.44 116.25 116.07 1j2t h VAL 52 Ca 0.08 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.52 1j2t h VAL 52 Cb 0.70 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1j2t h VAL 52 CO 0.05 0.35 0.39 0.00 0.02 0.00 0.00 177.57 178.38 1j2t h LYS 54 N 0.67 -0.10 -0.68 0.00 3.64 -0.87 0.13 116.57 119.36 1j2t h LYS 54 Ca 0.35 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1j2t h LYS 54 Cb 0.31 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1j2t h LYS 54 CO -0.24 -0.06 0.12 0.00 -2.27 0.00 0.00 179.45 177.00 1j2t h ARG 55 N -0.10 1.13 -0.24 1.90 3.08 -1.09 -1.25 114.38 117.80 1j2t h ARG 55 Ca 0.05 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1j2t h ARG 55 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1j2t h ARG 55 CO -0.11 1.02 0.06 0.28 -1.07 0.00 0.00 179.97 180.14 1j2t h VAL 56 N 1.05 1.21 -0.86 2.04 2.07 -0.93 -2.65 116.25 118.18 1j2t h VAL 56 Ca 0.21 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1j2t h VAL 56 Cb 0.43 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1j2t h VAL 56 CO 0.01 0.22 0.57 0.00 0.02 0.00 0.00 177.57 178.39 1j2t h ALA 57 N 0.87 1.41 -0.77 1.67 0.00 -0.54 -0.09 119.26 121.81 1j2t h ALA 57 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j2t h ALA 57 Cb 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1j2t h ALA 57 CO 0.00 0.53 0.39 0.93 0.00 0.00 0.00 179.25 181.11 1j2t h GLU 58 N 1.14 1.10 -0.12 0.00 5.08 -1.13 0.41 114.58 121.05 1j2t h GLU 58 Ca 0.33 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.32 1j2t h GLU 58 Cb -0.08 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 28.97 1j2t h GLU 58 CO -0.08 0.83 -0.80 0.00 -1.00 0.00 0.00 179.01 177.96 1j2t h ARG 59 N 1.08 0.70 -0.08 2.33 3.08 -0.88 -3.35 114.38 117.27 1j2t h ARG 59 Ca 0.27 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1j2t h ARG 59 Cb 0.08 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1j2t h ARG 59 CO -0.04 1.21 0.00 0.44 -1.07 0.00 0.00 179.97 180.51 1j2t n ILE 60 N -3.90 0.10 -2.30 2.04 -5.35 -0.16 -4.99 119.36 104.80 1j2t n ILE 60 Ca -0.07 -0.55 -0.04 0.00 -0.27 0.00 0.00 62.75 61.82 1j2t n ILE 60 Cb 0.76 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.95 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 1.02 0.39 3.97 3.28 0.00 0.06 -5.04 105.19 108.87 1j2t n GLY 61 Ca 0.11 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.51 4.40 0.14 4.61 0.00 -0.76 -4.70 121.76 122.94 1j2t s ALA 62 Ca 0.04 -1.78 0.11 0.00 0.00 0.00 0.00 51.96 50.33 1j2t s ALA 62 Cb -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1j2t s ALA 62 CO 0.05 -0.33 -0.25 -0.51 0.00 0.00 0.00 175.76 174.72 1j2t s LEU 63 N -4.31 2.41 -0.16 0.00 1.43 -0.52 -4.66 118.68 112.87 1j2t s LEU 63 Ca 0.53 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1j2t s LEU 63 Cb -0.07 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 1j2t s LEU 63 CO 0.32 0.17 -0.14 -0.69 0.23 0.00 0.00 176.35 176.23 1j2t s VAL 64 N -1.19 2.79 0.58 -1.59 1.01 0.16 -0.72 120.40 121.43 1j2t s VAL 64 Ca 0.16 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1j2t s VAL 64 Cb -0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1j2t s VAL 64 CO 0.07 0.51 0.98 -0.04 0.00 0.00 0.00 175.10 176.63 1j2t s MET 65 N 0.80 3.67 0.28 2.72 -1.94 0.11 -0.98 119.30 123.95 1j2t s MET 65 Ca -0.05 0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 54.34 1j2t s MET 65 Cb -0.15 -2.14 -0.13 0.00 2.01 0.00 0.00 34.83 34.42 1j2t s MET 65 CO 0.00 -0.45 1.35 -2.30 -0.01 0.00 0.00 175.02 173.62 1j2t n PRO 66 N -2.42 2.05 -2.30 2.03 -0.02 -1.26 -4.49 135.00 128.59 1j2t n PRO 66 Ca 0.05 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 1j2t n PRO 66 Cb 0.54 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.05 2.08 -0.27 -1.23 0.00 -1.26 -4.72 107.32 101.96 1j2t s GLY 67 Ca 0.63 0.24 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 1j2t s GLY 67 CO 0.54 0.52 0.99 1.08 0.00 0.00 0.00 173.10 176.24 1j2t s LEU 68 N -4.20 4.04 0.17 0.66 1.43 -0.33 -4.91 118.68 115.54 1j2t s LEU 68 Ca 0.60 1.12 0.16 0.00 -1.03 0.00 0.00 54.13 54.99 1j2t s LEU 68 Cb -0.12 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1j2t s LEU 68 CO 0.33 -0.72 1.12 1.56 0.23 0.00 0.00 176.35 178.88 1j2t h GLN 69 N 7.80 0.00 -5.59 1.70 1.08 -1.89 -0.18 115.11 118.03 1j2t h GLN 69 Ca -0.21 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.33 1j2t h GLN 69 Cb 1.07 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.18 1j2t h GLN 69 CO 0.97 0.36 -0.88 0.71 -0.95 0.00 0.00 178.83 179.04 1j2t s TYR 70 N -2.98 2.38 0.09 2.96 1.51 -1.26 -2.64 117.35 117.41 1j2t s TYR 70 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1j2t s TYR 70 Cb 0.08 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1j2t s TYR 70 CO 0.78 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 1j2t n GLY 71 N 3.25 4.07 3.76 0.71 0.00 -1.19 -4.77 105.19 111.02 1j2t n GLY 71 Ca -0.18 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.38 2.46 0.03 1.61 5.04 -1.26 -0.63 117.35 123.21 1j2t s TYR 72 Ca 0.00 1.57 -0.37 0.00 -2.44 0.00 0.00 57.07 55.84 1j2t s TYR 72 Cb 0.00 -3.21 -0.16 0.00 0.35 0.00 0.00 41.96 38.94 1j2t s TYR 72 CO 0.00 -1.93 1.41 1.63 -1.34 0.00 0.00 175.55 175.32 1j2t n LYS 73 N -2.76 1.17 -1.81 4.97 5.02 -1.24 -4.75 118.16 118.75 1j2t n LYS 73 Ca 0.11 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.41 1j2t n LYS 73 Cb 0.52 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1j2t n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2t s SER 74 N 0.98 6.41 -0.04 4.39 0.15 -1.26 -4.92 113.70 119.42 1j2t s SER 74 Ca 0.87 2.91 0.00 0.00 0.70 0.00 0.00 55.95 60.43 1j2t s SER 74 Cb -0.97 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 60.68 1j2t s SER 74 CO 0.50 -0.88 -0.01 -1.10 1.20 0.00 0.00 173.24 172.94 1j2t s GLN 75 N -0.50 2.84 0.21 5.44 -1.52 -1.26 -2.06 119.66 122.81 1j2t s GLN 75 Ca 0.63 -0.54 -0.13 0.00 -1.95 0.00 0.00 55.36 53.37 1j2t s GLN 75 Cb -0.47 -2.70 0.24 0.00 -0.22 0.00 0.00 33.01 29.87 1j2t s GLN 75 CO 0.47 0.66 1.63 0.37 -0.25 0.00 0.00 175.29 178.17 1j2t h GLN 76 N 4.74 0.02 0.00 2.91 4.15 -1.91 0.15 115.11 125.16 1j2t h GLN 76 Ca -0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1j2t h GLN 76 Cb 1.18 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1j2t h GLN 76 CO 0.56 0.01 0.00 1.63 -1.93 0.00 0.00 178.83 179.10 1j2t n LYS 77 N -5.40 0.04 0.00 1.69 5.02 -1.26 -2.03 118.16 116.22 1j2t n LYS 77 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1j2t n LYS 77 Cb 0.33 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.65 3.58 -0.01 4.39 3.41 -0.67 -4.76 113.62 117.91 1j2t n SER 78 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1j2t n SER 78 Cb 0.24 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.84 -2.13 1.40 5.00 0.00 0.43 -4.63 105.19 107.10 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 2.77 0.00 -0.02 0.00 -0.86 -4.80 105.19 102.27 1j2t n GLY 80 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.13 -0.02 0.00 -1.21 -4.39 105.19 103.11 1j2t n GLY 81 Ca 0.00 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.33 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 0.39 0.03 1.61 2.85 -0.87 -3.37 115.26 115.90 1j2t n ASN 82 Ca 0.00 -1.66 0.13 0.00 -0.11 0.00 0.00 54.58 52.94 1j2t n ASN 82 Cb 0.00 -0.03 0.43 0.00 1.24 0.00 0.00 39.78 41.42 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 -0.45 0.27 -2.26 1.20 1.44 -1.26 -4.89 115.22 109.27 1j2t n HIS 83 Ca 0.10 0.08 -0.36 0.00 -2.01 0.00 0.00 57.72 55.53 1j2t n HIS 83 Cb 0.10 -0.56 -0.00 0.00 0.12 0.00 0.00 29.99 29.65 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 -3.04 2.77 0.76 -1.40 0.40 -1.22 -5.02 117.98 111.23 1j2t s PHE 84 Ca 0.12 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.87 1j2t s PHE 84 Cb 0.17 -3.33 0.05 0.00 0.51 0.00 0.00 43.02 40.41 1j2t s PHE 84 CO 0.61 -1.54 1.11 -2.14 0.70 0.00 0.00 175.22 173.96 1j2t s PRO 85 N -2.99 2.24 0.00 0.24 0.02 -1.26 -3.90 135.00 129.35 1j2t s PRO 85 Ca 0.68 1.31 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1j2t s PRO 85 Cb -0.26 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1j2t s PRO 85 CO 0.31 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.71 1j2t n GLY 86 N -0.77 1.92 3.67 0.52 0.00 -1.26 -4.61 105.19 104.66 1j2t n GLY 86 Ca 0.10 -0.22 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 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 0.24 -3.80 2.61 -1.04 -1.25 -4.62 114.28 106.41 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 -1.50 -0.15 0.00 -1.82 0.00 0.00 70.33 66.86 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 2.25 1.03 0.12 12.58 2.01 -0.43 -4.97 115.64 128.24 1j2t s THR 88 Ca 0.87 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1j2t s THR 88 Cb -0.78 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1j2t s THR 88 CO 0.48 -0.44 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.38 1j2t s SER 89 N 1.57 4.10 0.34 3.53 0.01 -1.26 -4.42 113.70 117.57 1j2t s SER 89 Ca 0.04 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 1j2t s SER 89 Cb -0.18 -0.66 -0.06 0.00 0.21 0.00 0.00 66.02 65.33 1j2t s SER 89 CO -0.16 0.17 0.64 -0.76 0.41 0.00 0.00 173.24 173.55 1j2t s LEU 90 N -2.23 3.96 0.65 2.44 1.43 0.20 -4.86 118.68 120.25 1j2t s LEU 90 Ca 0.20 0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 1j2t s LEU 90 Cb -0.11 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1j2t s LEU 90 CO 0.12 -0.29 1.10 -1.81 0.23 0.00 0.00 176.35 175.70 1j2t s ASP 91 N -3.21 5.21 0.21 2.29 -0.00 -1.26 -3.65 116.67 116.25 1j2t s ASP 91 Ca 0.47 1.98 -0.10 0.00 -0.00 0.00 0.00 52.55 54.90 1j2t s ASP 91 Cb -0.10 -2.55 0.27 0.00 -0.00 0.00 0.00 42.92 40.54 1j2t s ASP 91 CO 0.31 -1.56 1.75 1.23 -0.00 0.00 0.00 175.17 176.90 1j2t h GLY 92 N 0.11 0.86 1.63 0.21 0.00 -1.98 -2.17 103.07 101.73 1j2t h GLY 92 Ca -0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1j2t h GLY 92 CO 0.55 0.00 0.12 0.00 0.00 0.00 0.00 176.54 177.21 1j2t h ALA 93 N 1.40 1.57 -0.18 3.60 0.00 -1.99 -0.66 119.26 123.01 1j2t h ALA 93 Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1j2t h ALA 93 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1j2t h ALA 93 CO -0.29 0.33 -0.08 1.15 0.00 0.00 0.00 179.25 180.37 1j2t h THR 94 N 0.49 1.31 -0.18 0.00 2.02 -1.78 -1.06 112.91 113.70 1j2t h THR 94 Ca 0.12 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1j2t h THR 94 Cb 0.13 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1j2t h THR 94 CO -0.01 0.33 -0.03 0.25 0.37 0.00 0.00 175.52 176.43 1j2t h LEU 95 N 0.05 0.34 -0.44 2.58 5.85 -1.12 -1.81 115.31 120.77 1j2t h LEU 95 Ca 0.04 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1j2t h LEU 95 Cb 0.55 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1j2t h LEU 95 CO 0.02 0.61 0.10 0.74 -0.34 0.00 0.00 178.44 179.58 1j2t h THR 96 N 0.07 0.78 -0.23 1.05 2.02 -1.15 -2.13 112.91 113.32 1j2t h THR 96 Ca 0.05 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1j2t h THR 96 Cb 0.46 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1j2t h THR 96 CO 0.02 0.04 -0.08 1.23 0.37 0.00 0.00 175.52 177.10 1j2t h GLY 97 N 0.24 0.40 0.82 2.16 0.00 -1.06 -1.18 103.07 104.44 1j2t h GLY 97 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1j2t h GLY 97 CO -0.27 0.23 0.02 -0.84 0.00 0.00 0.00 176.54 175.68 1j2t h THR 98 N 0.35 1.22 -0.43 4.70 2.02 -0.71 0.50 112.91 120.57 1j2t h THR 98 Ca 0.07 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1j2t h THR 98 Cb 0.37 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1j2t h THR 98 CO 0.02 0.22 0.24 0.58 0.37 0.00 0.00 175.52 176.95 1j2t h VAL 99 N 0.05 1.15 -0.39 3.16 2.07 -1.22 -1.72 116.25 119.36 1j2t h VAL 99 Ca 0.05 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1j2t h VAL 99 Cb 0.31 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1j2t h VAL 99 CO 0.00 0.16 0.21 -0.61 0.02 0.00 0.00 177.57 177.35 1j2t h GLN 100 N 0.56 0.41 -0.56 1.57 4.15 -1.07 -1.58 115.11 118.59 1j2t h GLN 100 Ca 0.15 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1j2t h GLN 100 Cb 0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1j2t h GLN 100 CO -0.03 0.27 0.23 -0.44 -1.93 0.00 0.00 178.83 176.93 1j2t h ASP 101 N 0.42 0.77 -0.44 -0.69 3.32 -0.67 -1.79 116.42 117.34 1j2t h ASP 101 Ca 0.16 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1j2t h ASP 101 Cb 0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1j2t h ASP 101 CO -0.10 0.73 0.07 0.40 -1.72 0.00 0.00 179.24 178.62 1j2t h ILE 102 N 0.77 1.24 -0.48 0.35 2.04 -1.05 -1.96 117.51 118.42 1j2t h ILE 102 Ca 0.19 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1j2t h ILE 102 Cb 0.19 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1j2t h ILE 102 CO -0.02 0.31 0.30 0.40 0.00 0.00 0.00 178.15 179.14 1j2t h ILE 103 N 0.58 1.14 -0.72 -0.67 2.04 -1.13 -0.54 117.51 118.21 1j2t h ILE 103 Ca 0.13 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1j2t h ILE 103 Cb 0.38 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1j2t h ILE 103 CO 0.01 0.14 0.38 -0.09 0.00 0.00 0.00 178.15 178.59 1j2t h ARG 104 N 0.65 0.65 -0.29 2.37 2.43 -1.15 -1.33 114.38 117.72 1j2t h ARG 104 Ca 0.17 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1j2t h ARG 104 Cb -0.03 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1j2t h ARG 104 CO -0.03 0.43 -0.37 0.93 -1.51 0.00 0.00 179.97 179.42 1j2t h GLU 105 N 0.67 0.75 -1.00 0.20 4.39 -0.89 -1.72 114.58 116.98 1j2t h GLU 105 Ca 0.35 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1j2t h GLU 105 Cb 0.32 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1j2t h GLU 105 CO -0.24 1.06 0.66 -0.07 -1.16 0.00 0.00 179.01 179.25 1j2t h LEU 106 N 0.50 1.15 -0.77 1.33 3.38 -0.86 -1.41 115.31 118.65 1j2t h LEU 106 Ca 0.03 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1j2t h LEU 106 Cb 0.96 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1j2t h LEU 106 CO 0.09 0.84 0.15 0.00 0.09 0.00 0.00 178.44 179.61 1j2t h ALA 107 N 1.36 0.99 -0.88 1.53 0.00 -1.10 -1.29 119.26 119.87 1j2t h ALA 107 Ca 0.37 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1j2t h ALA 107 Cb -0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 1j2t h ALA 107 CO -0.08 0.65 0.58 -0.09 0.00 0.00 0.00 179.25 180.31 1j2t h ARG 108 N 1.03 1.11 0.00 0.00 2.43 -0.53 -1.47 114.38 116.94 1j2t h ARG 108 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1j2t h ARG 108 Cb 0.38 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1j2t h ARG 108 CO 0.00 0.73 -0.02 0.45 -1.51 0.00 0.00 179.97 179.62 1j2t h HIS 109 N 1.14 0.00 0.00 2.20 3.86 -0.68 -3.46 115.15 118.22 1j2t h HIS 109 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 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 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1j2t n GLY 110 N -0.56 0.60 3.77 2.45 0.00 -0.55 -4.96 105.19 105.94 1j2t n GLY 110 Ca -0.01 0.00 -0.36 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 2.87 0.00 4.61 0.00 -0.54 -4.95 121.76 121.74 1j2t s ALA 111 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 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 -0.73 0.20 0.54 0.00 0.00 0.00 175.76 175.76 1j2t n ARG 112 N -0.78 0.01 -3.78 0.00 5.12 -1.26 -4.15 116.66 111.81 1j2t n ARG 112 Ca 0.09 -0.21 -0.26 0.00 -1.93 0.00 0.00 57.85 55.54 1j2t n ARG 112 Cb 0.49 -0.56 -0.17 0.00 -1.16 0.00 0.00 32.46 31.06 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 -0.03 0.81 -0.03 5.56 0.52 -1.26 -0.96 118.95 123.56 1j2t s ARG 113 Ca 0.00 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 1j2t s ARG 113 Cb 0.00 -1.66 -0.00 0.00 0.52 0.00 0.00 34.95 33.81 1j2t s ARG 113 CO 0.00 -0.47 -0.13 -1.17 0.02 0.00 0.00 175.30 173.55 1j2t s LEU 114 N 1.85 1.86 -0.22 2.53 2.96 -0.61 -1.38 118.68 125.67 1j2t s LEU 114 Ca 0.02 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1j2t s LEU 114 Cb -0.15 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1j2t s LEU 114 CO -0.07 0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.30 1j2t s VAL 115 N 0.09 2.94 -0.27 1.68 1.01 0.63 -0.62 120.40 125.86 1j2t s VAL 115 Ca -0.03 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1j2t s VAL 115 Cb -0.10 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1j2t s VAL 115 CO 0.01 0.38 0.37 -0.76 0.00 0.00 0.00 175.10 175.10 1j2t s LEU 116 N 1.39 4.05 -0.42 3.92 1.02 0.17 -0.34 118.68 128.47 1j2t s LEU 116 Ca 0.04 0.27 -0.09 0.00 0.02 0.00 0.00 54.13 54.37 1j2t s LEU 116 Cb -0.15 -2.42 0.08 0.00 0.02 0.00 0.00 46.19 43.72 1j2t s LEU 116 CO -0.06 -0.19 0.25 -0.32 0.02 0.00 0.00 176.35 176.06 1j2t s MET 117 N 2.07 2.56 0.17 1.70 1.75 -0.26 -1.53 119.30 125.76 1j2t s MET 117 Ca 0.15 -1.48 -0.30 0.00 -1.25 0.00 0.00 55.69 52.81 1j2t s MET 117 Cb -0.16 -3.76 -0.07 0.00 2.84 0.00 0.00 34.83 33.68 1j2t s MET 117 CO 0.10 -0.96 0.97 1.21 -0.65 0.00 0.00 175.02 175.69 1j2t s ASN 118 N 2.10 7.53 0.00 1.11 2.47 0.15 -1.33 114.94 126.98 1j2t s ASN 118 Ca 0.03 1.89 0.04 0.00 0.42 0.00 0.00 52.86 55.24 1j2t s ASN 118 Cb -0.23 -2.60 0.02 0.00 -1.45 0.00 0.00 41.25 36.99 1j2t s ASN 118 CO 0.02 0.01 0.55 0.61 -3.72 0.00 0.00 177.10 174.56 1j2t n GLY 119 N 1.91 -0.71 2.72 1.21 0.00 0.48 -3.58 105.19 107.22 1j2t n GLY 119 Ca 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.57 0.82 0.27 1.61 5.65 -1.25 -4.67 115.29 117.15 1j2t s HIS 120 Ca 0.04 -0.64 -0.02 0.00 0.25 0.00 0.00 55.06 54.70 1j2t s HIS 120 Cb 0.04 -0.93 0.58 0.00 -1.18 0.00 0.00 32.58 31.09 1j2t s HIS 120 CO 0.08 -0.54 1.64 -0.92 -0.65 0.00 0.00 174.74 174.34 1j2t h TYR 121 N 8.29 0.14 -0.00 3.88 3.20 -1.93 -0.57 116.97 129.98 1j2t h TYR 121 Ca -0.17 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1j2t h TYR 121 Cb 1.13 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1j2t h TYR 121 CO 0.30 -0.23 0.03 0.93 -1.64 0.00 0.00 178.16 177.54 1j2t h GLU 122 N 0.15 0.00 0.00 1.82 3.07 -1.91 -2.76 114.58 114.95 1j2t h GLU 122 Ca 0.49 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 1j2t h GLU 122 Cb 0.93 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1j2t h GLU 122 CO -0.67 0.00 -0.25 -0.91 -1.40 0.00 0.00 179.01 175.77 1j2t h ASN 123 N 0.00 0.00 -0.61 1.42 2.35 -1.42 -3.40 115.58 113.92 1j2t h ASN 123 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1j2t h ASN 123 Cb 0.05 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.30 1j2t h ASN 123 CO -0.00 0.25 -0.28 0.28 -1.65 0.00 0.00 177.43 176.03 1j2t h SER 124 N 0.00 -0.99 0.84 5.81 0.02 -1.67 -1.59 113.55 115.97 1j2t h SER 124 Ca -0.00 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 1j2t h SER 124 Cb 0.77 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1j2t h SER 124 CO 0.03 -0.28 -0.39 0.24 -1.14 0.00 0.00 176.83 175.29 1j2t h MET 125 N -0.12 0.00 0.01 3.45 2.86 -1.87 -1.26 114.93 118.00 1j2t h MET 125 Ca 0.26 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.70 1j2t h MET 125 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1j2t h MET 125 CO -0.68 0.39 -0.92 0.74 1.06 0.00 0.00 176.91 177.50 1j2t h PHE 126 N 0.00 0.07 -0.26 -0.22 -1.00 -1.67 -1.62 116.94 112.24 1j2t h PHE 126 Ca -0.00 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1j2t h PHE 126 Cb 0.91 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1j2t h PHE 126 CO 0.00 0.93 0.06 0.82 -1.61 0.00 0.00 178.31 178.51 1j2t h ILE 127 N 0.02 1.22 -0.69 -0.55 2.04 -0.94 -1.41 117.51 117.20 1j2t h ILE 127 Ca -0.02 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1j2t h ILE 127 Cb 1.60 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 1j2t h ILE 127 CO 0.12 0.23 0.40 0.58 0.00 0.00 0.00 178.15 179.49 1j2t h VAL 128 N 0.25 1.00 -0.46 1.67 2.07 -1.13 -1.12 116.25 118.53 1j2t h VAL 128 Ca 0.08 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1j2t h VAL 128 Cb 0.30 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1j2t h VAL 128 CO 0.00 0.14 -0.25 -0.08 0.02 0.00 0.00 177.57 177.39 1j2t h GLU 129 N 0.75 0.98 -0.60 1.57 4.57 -1.15 -1.49 114.58 119.22 1j2t h GLU 129 Ca 0.30 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1j2t h GLU 129 Cb 0.15 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1j2t h GLU 129 CO -0.16 1.12 0.37 0.78 -1.18 0.00 0.00 179.01 179.93 1j2t h GLY 130 N 0.83 0.86 0.94 1.92 0.00 -0.83 -1.06 103.07 105.73 1j2t h GLY 130 Ca 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1j2t h GLY 130 CO 0.07 0.24 0.05 -2.22 0.00 0.00 0.00 176.54 174.68 1j2t h ILE 131 N 0.73 1.07 -0.59 2.60 2.04 -1.03 -1.52 117.51 120.81 1j2t h ILE 131 Ca 0.24 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1j2t h ILE 131 Cb 0.02 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1j2t h ILE 131 CO -0.10 0.07 0.32 -0.78 0.00 0.00 0.00 178.15 177.65 1j2t h ASP 132 N 0.07 0.74 -0.67 1.72 1.82 -0.87 0.04 116.42 119.26 1j2t h ASP 132 Ca 0.03 -0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.50 1j2t h ASP 132 Cb 0.06 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 1j2t h ASP 132 CO -0.01 0.62 0.13 -0.07 -1.61 0.00 0.00 179.24 178.30 1j2t h LEU 133 N 0.79 1.05 -0.40 2.28 3.38 -1.16 -0.90 115.31 120.36 1j2t h LEU 133 Ca 0.21 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1j2t h LEU 133 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1j2t h LEU 133 CO -0.03 1.03 0.03 0.00 0.09 0.00 0.00 178.44 179.55 1j2t h ALA 134 N 1.10 0.54 -0.18 1.53 0.00 -0.81 -2.38 119.26 119.05 1j2t h ALA 134 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1j2t h ALA 134 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1j2t h ALA 134 CO 0.01 0.29 -0.28 -0.07 0.00 0.00 0.00 179.25 179.19 1j2t h LEU 135 N 0.52 0.35 -0.31 0.00 3.38 -0.82 -1.05 115.31 117.38 1j2t h LEU 135 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j2t h LEU 135 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1j2t h LEU 135 CO 0.02 0.63 0.18 -0.09 0.09 0.00 0.00 178.44 179.27 1j2t h ARG 136 N 0.31 0.43 -0.64 1.13 2.43 -1.01 -0.72 114.38 116.31 1j2t h ARG 136 Ca 0.04 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1j2t h ARG 136 Cb 0.66 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1j2t h ARG 136 CO 0.05 0.35 0.20 0.93 -1.51 0.00 0.00 179.97 179.99 1j2t h GLU 137 N 0.40 1.00 -1.01 0.20 5.08 -1.05 -2.18 114.58 117.02 1j2t h GLU 137 Ca 0.11 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1j2t h GLU 137 Cb 0.04 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1j2t h GLU 137 CO -0.02 0.88 0.67 -0.07 -1.00 0.00 0.00 179.01 179.47 1j2t h LEU 138 N 0.93 1.15 -0.90 1.33 3.38 -0.92 -1.74 115.31 118.55 1j2t h LEU 138 Ca 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1j2t h LEU 138 Cb 0.30 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1j2t h LEU 138 CO -0.01 0.83 0.60 0.03 0.09 0.00 0.00 178.44 179.99 1j2t h ARG 139 N 1.36 1.19 0.00 1.13 2.47 -0.75 0.87 114.38 120.64 1j2t h ARG 139 Ca 0.37 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1j2t h ARG 139 Cb -0.15 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 27.90 1j2t h ARG 139 CO -0.08 0.79 -0.01 1.88 0.56 0.00 0.00 179.97 183.10 1j2t h TYR 140 N 1.23 0.00 -0.52 3.04 0.05 -0.71 -1.70 116.97 118.35 1j2t h TYR 140 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1j2t h TYR 140 Cb -0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1j2t h TYR 140 CO -0.01 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1j2t n ALA 141 N -2.41 2.42 -0.84 3.88 0.00 -0.06 -4.93 120.51 118.57 1j2t n ALA 141 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1j2t n ALA 141 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.42 0.66 3.53 0.00 0.00 -0.64 -5.03 105.19 105.12 1j2t n GLY 142 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.38 5.21 -0.00 -0.61 1.01 0.10 -4.91 121.20 119.62 1j2t s ILE 143 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1j2t s ILE 143 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1j2t s ILE 143 CO 0.00 -0.12 0.90 0.00 0.00 0.00 0.00 174.94 175.73 1j2t n GLN 144 N 5.30 2.35 -0.25 2.79 6.02 -1.26 -3.16 117.38 129.17 1j2t n GLN 144 Ca -0.10 -1.32 0.07 0.00 -0.01 0.00 0.00 57.00 55.64 1j2t n GLN 144 Cb 0.49 -0.91 0.18 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.41 3.12 -4.71 1.08 3.85 -1.26 -4.95 116.55 113.27 1j2t n ASP 145 Ca 0.00 -2.55 -0.41 0.00 -0.71 0.00 0.00 54.79 51.13 1j2t n ASP 145 Cb 0.31 -0.35 -0.04 0.00 -1.35 0.00 0.00 41.12 39.69 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 -1.97 3.58 -0.04 2.11 2.19 -1.26 -4.85 117.98 117.74 1j2t s PHE 146 Ca 0.29 1.39 0.05 0.00 0.33 0.00 0.00 56.93 58.99 1j2t s PHE 146 Cb 0.21 -2.92 -0.01 0.00 -1.31 0.00 0.00 43.02 38.99 1j2t s PHE 146 CO 0.09 0.02 -0.20 0.21 1.83 0.00 0.00 175.22 177.17 1j2t s LYS 147 N 1.02 1.92 -0.07 10.12 2.20 -0.13 -5.03 119.74 129.77 1j2t s LYS 147 Ca 0.42 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1j2t s LYS 147 Cb -0.19 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1j2t s LYS 147 CO 0.20 0.33 -0.19 0.08 -0.36 0.00 0.00 175.35 175.41 1j2t s VAL 148 N -0.14 1.66 -0.19 4.02 1.01 -1.26 -1.57 120.40 123.93 1j2t s VAL 148 Ca -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1j2t s VAL 148 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1j2t s VAL 148 CO 0.02 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 1j2t s VAL 149 N 0.29 3.82 -0.11 2.92 1.01 0.21 -5.00 120.40 123.54 1j2t s VAL 149 Ca -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1j2t s VAL 149 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1j2t s VAL 149 CO 0.05 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 1j2t s VAL 150 N 0.91 2.76 0.02 2.92 1.01 -1.26 -0.65 120.40 126.10 1j2t s VAL 150 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1j2t s VAL 150 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1j2t s VAL 150 CO 0.02 0.54 0.21 -1.48 0.00 0.00 0.00 175.10 174.39 1j2t s LEU 151 N 0.24 1.28 -0.26 3.92 0.05 -0.58 -4.98 118.68 118.35 1j2t s LEU 151 Ca -0.11 -0.22 -0.07 0.00 0.05 0.00 0.00 54.13 53.77 1j2t s LEU 151 Cb -0.16 0.97 -0.02 0.00 -2.05 0.00 0.00 46.19 44.93 1j2t s LEU 151 CO 0.06 -0.49 0.08 -0.44 -0.55 0.00 0.00 176.35 175.01 1j2t s SER 152 N -1.74 5.14 0.53 1.48 0.01 -1.26 -0.67 113.70 117.18 1j2t s SER 152 Ca -0.09 -0.30 0.32 0.00 1.31 0.00 0.00 55.95 57.19 1j2t s SER 152 Cb -0.04 -1.92 1.48 0.00 0.21 0.00 0.00 66.02 65.75 1j2t s SER 152 CO -0.01 -0.07 1.85 0.10 0.41 0.00 0.00 173.24 175.53 1j2t h TYR 153 N 8.24 0.05 0.00 2.43 -0.00 -1.93 -0.20 116.97 125.56 1j2t h TYR 153 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.36 1j2t h TYR 153 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.88 1j2t h TYR 153 CO 0.66 0.01 0.00 0.11 -0.00 0.00 0.00 178.16 178.94 1j2t h TRP 154 N 0.03 0.00 0.00 0.10 0.09 -1.95 -2.47 115.95 111.76 1j2t h TRP 154 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.46 1j2t h TRP 154 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.12 1j2t h TRP 154 CO -0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 1j2t n ASP 155 N -2.98 0.00 -0.78 0.11 8.00 -0.09 -2.19 116.55 118.62 1j2t n ASP 155 Ca 0.00 0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.99 1j2t n ASP 155 Cb 0.27 -0.43 0.30 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.43 0.17 -2.83 1.24 3.01 -0.93 -4.21 117.46 112.48 1j2t n PHE 156 Ca 0.04 -0.09 -0.42 0.00 1.01 0.00 0.00 57.45 58.00 1j2t n PHE 156 Cb 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.83 5.69 -0.06 -4.37 0.31 -0.93 -4.57 118.33 115.22 1j2t n VAL 157 Ca 0.17 -5.96 -0.06 0.00 -0.01 0.00 0.00 64.34 58.48 1j2t n VAL 157 Cb 0.47 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 1j2t n VAL 157 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1j2t h LYS 158 N 4.81 0.00 -5.53 5.55 1.79 -1.83 -3.46 116.57 117.90 1j2t h LYS 158 Ca 0.36 0.00 -0.81 0.00 -2.18 0.00 0.00 60.65 58.03 1j2t h LYS 158 Cb 0.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1j2t h LYS 158 CO 1.26 0.34 0.60 -3.47 -1.08 0.00 0.00 179.45 177.10 1j2t n ASP 159 N -4.68 1.05 0.24 0.86 2.03 -1.26 -4.81 116.55 109.98 1j2t n ASP 159 Ca -0.06 1.09 0.07 0.00 0.52 0.00 0.00 54.79 56.41 1j2t n ASP 159 Cb 0.22 -0.81 0.58 0.00 -0.72 0.00 0.00 41.12 40.39 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 4.49 0.00 -0.17 -0.67 0.13 -1.98 -0.52 132.00 133.27 1j2t h PRO 160 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 1j2t h PRO 160 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1j2t h PRO 160 CO 0.88 0.08 -0.35 0.00 -0.23 0.00 0.00 178.00 178.38 1j2t h ALA 161 N 1.92 1.07 -0.08 -0.56 0.00 -1.99 0.73 119.26 120.35 1j2t h ALA 161 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1j2t h ALA 161 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j2t h ALA 161 CO 0.01 0.58 -0.49 0.28 0.00 0.00 0.00 179.25 179.63 1j2t h VAL 162 N 0.31 1.38 -0.80 0.00 2.07 -1.60 -2.70 116.25 114.91 1j2t h VAL 162 Ca 0.04 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.74 1j2t h VAL 162 Cb 0.77 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1j2t h VAL 162 CO 0.06 0.55 0.51 0.40 0.02 0.00 0.00 177.57 179.11 1j2t h ILE 163 N 0.05 1.10 -0.62 4.57 1.08 -0.94 -0.03 117.51 122.71 1j2t h ILE 163 Ca -0.04 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1j2t h ILE 163 Cb 1.15 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1j2t h ILE 163 CO 0.10 0.18 0.27 -0.61 -0.69 0.00 0.00 178.15 177.40 1j2t h GLN 164 N 0.98 0.92 -0.29 2.37 4.15 -0.87 0.39 115.11 122.75 1j2t h GLN 164 Ca 0.33 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1j2t h GLN 164 Cb 0.04 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1j2t h GLN 164 CO -0.12 0.76 0.19 1.96 -1.93 0.00 0.00 178.83 179.68 1j2t h GLN 165 N 0.86 0.38 -0.07 1.69 4.20 -1.05 -2.64 115.11 118.48 1j2t h GLN 165 Ca 0.21 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1j2t h GLN 165 Cb 0.17 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1j2t h GLN 165 CO -0.02 0.26 -0.58 -0.07 -0.67 0.00 0.00 178.83 177.75 1j2t h LEU 166 N 0.39 0.26 -6.18 1.46 3.38 -0.63 -3.37 115.31 110.61 1j2t h LEU 166 Ca 0.11 -0.14 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 1j2t h LEU 166 Cb -0.03 -0.07 -0.41 0.00 0.09 0.00 0.00 40.66 40.23 1j2t h LEU 166 CO -0.02 0.78 -0.78 -1.22 0.09 0.00 0.00 178.44 177.29 1j2t n TYR 167 N -3.89 2.09 0.26 1.13 4.02 0.13 -4.93 117.16 115.97 1j2t n TYR 167 Ca -0.02 -3.93 0.12 0.00 -0.01 0.00 0.00 57.90 54.05 1j2t n TYR 167 Cb 0.60 -0.46 0.69 0.00 -0.02 0.00 0.00 39.34 40.15 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 4.23 0.00 -0.08 -0.72 0.13 -1.65 -1.00 132.00 132.91 1j2t h PRO 168 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 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 0.69 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 1j2t n GLU 169 N -3.71 1.40 0.00 0.86 1.02 -1.26 -4.99 120.64 113.95 1j2t n GLU 169 Ca -0.02 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1j2t n GLU 169 Cb 0.25 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.99 2.64 3.70 0.62 0.00 -0.38 -5.05 105.19 107.71 1j2t n GLY 170 Ca 0.16 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.17 3.51 -2.80 1.61 5.36 -1.25 -4.93 117.98 119.31 1j2t s PHE 171 Ca 0.00 1.09 0.24 0.00 -0.96 0.00 0.00 56.93 57.30 1j2t s PHE 171 Cb 0.00 -2.75 0.30 0.00 -0.34 0.00 0.00 43.02 40.23 1j2t s PHE 171 CO 0.00 0.04 1.32 1.28 -1.46 0.00 0.00 175.22 176.41 1j2t n LEU 172 N 4.06 3.14 0.00 6.12 7.99 -1.26 -5.07 117.00 131.99 1j2t n LEU 172 Ca -0.03 -1.17 0.00 0.00 -0.01 0.00 0.00 56.01 54.80 1j2t n LEU 172 Cb 0.51 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1j2t n LEU 172 CO 0.45 0.58 0.00 0.61 -1.51 0.00 0.00 177.39 177.53 1j2t n GLY 173 N 1.41 2.91 0.22 -0.72 0.00 -1.26 -4.87 105.19 102.87 1j2t n GLY 173 Ca 0.16 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.29 115.95 116.33 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 0.03 0.00 0.38 -3.56 0.00 0.00 178.44 175.29 1j2t h ASP 175 N 0.00 0.00 -0.21 -3.49 -0.00 -1.93 -1.83 116.42 108.95 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 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 1j2t h ASP 175 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.54 1j2t n ILE 176 N -2.94 1.67 -1.15 4.15 -5.35 -1.24 -4.67 119.36 109.83 1j2t n ILE 176 Ca -0.02 -1.56 -0.19 0.00 -0.27 0.00 0.00 62.75 60.70 1j2t n ILE 176 Cb 0.10 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.03 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 -0.34 2.04 -3.51 6.28 -0.58 -0.69 -3.04 120.64 120.80 1j2t n GLU 177 Ca 0.15 -1.71 -0.42 0.00 -0.42 0.00 0.00 57.16 54.76 1j2t n GLU 177 Cb 0.63 -1.87 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.19 3.25 -1.30 -0.32 5.65 -1.26 -4.35 115.29 115.78 1j2t s HIS 178 Ca 0.47 -0.83 0.00 0.00 0.25 0.00 0.00 55.06 54.95 1j2t s HIS 178 Cb 0.30 -2.61 0.00 0.00 -1.18 0.00 0.00 32.58 29.09 1j2t s HIS 178 CO -0.10 -0.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.75 1j2t n GLY 179 N 5.09 0.94 0.00 1.59 0.00 -1.26 -2.11 105.19 109.43 1j2t n GLY 179 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.28 1.77 0.34 -0.02 0.00 -1.26 -4.40 105.19 100.34 1j2t n GLY 180 Ca -0.14 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.01 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 1.09 0.73 1.61 2.07 -1.86 -2.00 116.25 117.89 1j2t h VAL 181 Ca 0.00 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1j2t h VAL 181 Cb 0.00 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.68 1j2t h VAL 181 CO 0.00 0.20 -0.35 0.15 0.02 0.00 0.00 177.57 177.59 1j2t h PHE 182 N 1.09 -0.91 -0.73 1.57 3.04 -1.94 -0.85 116.94 118.21 1j2t h PHE 182 Ca 0.39 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.25 1j2t h PHE 182 Cb 0.12 0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1j2t h PHE 182 CO -0.02 -0.57 0.21 0.93 -2.02 0.00 0.00 178.31 176.85 1j2t h GLU 183 N -1.10 1.15 -0.64 1.11 5.08 -1.84 -2.47 114.58 115.87 1j2t h GLU 183 Ca -0.10 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 1j2t h GLU 183 Cb 0.75 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1j2t h GLU 183 CO 0.16 0.99 0.08 1.15 -1.00 0.00 0.00 179.01 180.39 1j2t h THR 184 N 1.10 1.26 -0.31 1.13 2.02 -1.38 -0.65 112.91 116.09 1j2t h THR 184 Ca 0.24 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1j2t h THR 184 Cb 0.33 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1j2t h THR 184 CO -0.00 0.39 0.06 0.28 0.37 0.00 0.00 175.52 176.62 1j2t h SER 185 N 1.00 0.49 -0.65 4.18 0.02 -1.05 -0.62 113.55 116.93 1j2t h SER 185 Ca 0.19 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1j2t h SER 185 Cb 0.46 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1j2t h SER 185 CO 0.02 0.62 0.37 -0.07 -1.14 0.00 0.00 176.83 176.63 1j2t h LEU 186 N 0.34 0.58 -1.04 5.07 3.38 -1.20 -1.52 115.31 120.92 1j2t h LEU 186 Ca 0.10 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1j2t h LEU 186 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1j2t h LEU 186 CO 0.00 0.38 -0.08 0.24 0.09 0.00 0.00 178.44 179.08 1j2t h MET 187 N 0.71 0.59 -0.36 1.13 2.86 -0.82 -1.38 114.93 117.66 1j2t h MET 187 Ca 0.28 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1j2t h MET 187 Cb 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1j2t h MET 187 CO -0.15 0.67 -0.12 -0.07 1.06 0.00 0.00 176.91 178.30 1j2t h LEU 188 N 0.55 0.61 -0.37 1.22 3.38 -0.48 0.59 115.31 120.80 1j2t h LEU 188 Ca 0.10 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1j2t h LEU 188 Cb 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1j2t h LEU 188 CO 0.03 0.77 -0.50 0.00 0.09 0.00 0.00 178.44 178.82 1j2t h ALA 189 N 1.30 0.55 0.01 1.53 0.00 -0.92 -3.33 119.26 118.40 1j2t h ALA 189 Ca 0.10 -0.50 -0.41 0.00 0.00 0.00 0.00 54.91 54.11 1j2t h ALA 189 Cb 0.55 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1j2t h ALA 189 CO 0.03 0.68 -2.45 1.28 0.00 0.00 0.00 179.25 178.80 1j2t n LEU 190 N -4.01 2.66 -3.19 0.00 4.77 -0.55 -4.79 117.00 111.88 1j2t n LEU 190 Ca -0.03 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1j2t n LEU 190 Cb 0.60 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1j2t n LEU 190 CO 0.49 0.82 -0.24 -1.22 -1.33 0.00 0.00 177.39 175.91 1j2t n TYR 191 N -3.57 0.20 -0.01 -1.77 4.01 0.20 -4.98 117.16 111.25 1j2t n TYR 191 Ca -0.47 -3.70 0.16 0.00 -0.16 0.00 0.00 57.90 53.73 1j2t n TYR 191 Cb 0.96 -0.39 0.61 0.00 -0.31 0.00 0.00 39.34 40.21 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 3.64 0.16 0.00 -0.72 0.13 -1.62 -0.61 132.00 132.98 1j2t h PRO 192 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j2t h PRO 192 Cb 0.88 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1j2t h PRO 192 CO 0.51 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 1j2t n ASP 193 N -4.44 0.61 -1.05 1.44 10.43 -1.26 -2.35 116.55 119.93 1j2t n ASP 193 Ca 0.09 0.67 0.11 0.00 2.57 0.00 0.00 54.79 58.22 1j2t n ASP 193 Cb 0.46 -0.79 0.27 0.00 1.84 0.00 0.00 41.12 42.90 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 -2.19 3.09 -4.06 0.64 4.77 -0.24 -4.86 117.00 114.16 1j2t n LEU 194 Ca 0.02 -1.43 -0.22 0.00 -0.03 0.00 0.00 56.01 54.35 1j2t n LEU 194 Cb 0.19 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 1j2t n LEU 194 CO 0.17 0.71 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.80 1j2t s VAL 195 N -1.41 0.97 -0.48 4.08 1.01 -0.99 -2.91 120.40 120.68 1j2t s VAL 195 Ca 0.39 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1j2t s VAL 195 Cb 0.21 -0.84 0.14 0.00 0.00 0.00 0.00 36.38 35.89 1j2t s VAL 195 CO 0.29 0.29 0.27 -0.62 0.00 0.00 0.00 175.10 175.32 1j2t s ASP 196 N -0.02 3.85 0.55 3.32 -1.08 0.11 -4.97 116.67 118.44 1j2t s ASP 196 Ca -0.00 -2.84 0.27 0.00 -0.52 0.00 0.00 52.55 49.46 1j2t s ASP 196 Cb -0.08 -1.23 1.45 0.00 -1.46 0.00 0.00 42.92 41.60 1j2t s ASP 196 CO 0.00 -0.24 1.97 0.25 0.52 0.00 0.00 175.17 177.67 1j2t h LEU 197 N 6.53 0.00 -2.07 -1.34 5.85 -1.96 0.84 115.31 123.16 1j2t h LEU 197 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1j2t h LEU 197 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1j2t h LEU 197 CO 0.56 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.10 1j2t h ASP 198 N 0.00 0.00 0.11 1.25 3.32 -1.95 -1.93 116.42 117.22 1j2t h ASP 198 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1j2t h ASP 198 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1j2t h ASP 198 CO -0.00 0.00 -0.18 0.54 -1.72 0.00 0.00 179.24 177.88 1j2t n ARG 199 N -2.77 1.24 -1.79 3.56 1.74 0.29 -4.92 116.66 114.01 1j2t n ARG 199 Ca -0.01 -0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 55.86 1j2t n ARG 199 Cb 0.12 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.30 2.20 -0.32 1.55 1.01 -0.73 -4.32 120.40 117.49 1j2t s VAL 200 Ca 0.29 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1j2t s VAL 200 Cb 0.20 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1j2t s VAL 200 CO 0.45 0.01 0.47 -0.69 0.00 0.00 0.00 175.10 175.34 1j2t s VAL 201 N 1.07 5.08 -1.42 2.92 1.01 -1.26 -4.99 120.40 122.80 1j2t s VAL 201 Ca 0.72 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 1j2t s VAL 201 Cb -0.48 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.09 1j2t s VAL 201 CO 0.33 -0.08 2.39 -0.67 0.00 0.00 0.00 175.10 177.08 1j2t n ASP 202 N 5.58 6.70 -4.90 3.32 2.03 -1.26 -4.72 116.55 123.31 1j2t n ASP 202 Ca -0.06 -2.92 -0.28 0.00 0.52 0.00 0.00 54.79 52.05 1j2t n ASP 202 Cb 0.49 -1.50 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 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 1.00 3.55 0.50 -0.67 -3.43 -1.26 -5.02 115.29 109.97 1j2t s HIS 203 Ca 0.54 0.89 -0.22 0.00 -0.80 0.00 0.00 55.06 55.46 1j2t s HIS 203 Cb 0.15 -2.35 -0.06 0.00 -1.43 0.00 0.00 32.58 28.89 1j2t s HIS 203 CO -0.06 -0.27 1.26 -1.25 -2.00 0.00 0.00 174.74 172.42 1j2t s PRO 204 N -4.60 3.44 0.46 -0.38 0.04 -1.26 -4.23 135.00 128.46 1j2t s PRO 204 Ca 0.49 2.00 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 1j2t s PRO 204 Cb -0.10 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1j2t s PRO 204 CO 0.43 -0.88 1.20 -0.35 0.04 0.00 0.00 177.00 177.44 1j2t n PRO 205 N -0.77 1.67 -2.17 0.56 -0.04 -1.26 -4.89 135.00 128.09 1j2t n PRO 205 Ca 0.09 0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 63.74 1j2t n PRO 205 Cb 0.47 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 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 -1.26 3.50 0.09 0.55 0.00 -0.27 -5.03 121.76 119.33 1j2t s ALA 206 Ca 0.64 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.84 1j2t s ALA 206 Cb -0.50 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1j2t s ALA 206 CO 0.55 -0.57 -0.12 0.95 0.00 0.00 0.00 175.76 176.58 1j2t s THR 207 N -0.92 1.04 0.04 0.00 -4.23 -1.26 -4.95 115.64 105.36 1j2t s THR 207 Ca 0.50 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1j2t s THR 207 Cb -0.38 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 1j2t s THR 207 CO 0.49 -0.38 0.05 -0.36 -0.54 0.00 0.00 174.62 173.88 1j2t s PHE 208 N -1.80 0.30 0.87 3.99 0.40 -1.26 -5.05 117.98 115.43 1j2t s PHE 208 Ca 0.01 -0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 55.55 1j2t s PHE 208 Cb -0.07 -0.21 0.11 0.00 0.51 0.00 0.00 43.02 43.36 1j2t s PHE 208 CO 0.02 -0.36 1.10 -1.25 0.70 0.00 0.00 175.22 175.43 1j2t s PRO 209 N -2.91 1.48 0.00 0.24 0.04 -1.26 -4.89 135.00 127.70 1j2t s PRO 209 Ca -0.02 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1j2t s PRO 209 Cb 0.01 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1j2t s PRO 209 CO -0.06 -2.06 1.89 -0.35 0.04 0.00 0.00 177.00 176.46 1j2t n PRO 210 N -3.74 0.96 -3.76 0.56 -0.04 -1.26 -4.76 135.00 122.95 1j2t n PRO 210 Ca 0.07 -0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1j2t n PRO 210 Cb 0.56 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.33 -0.19 0.16 0.54 -0.85 -1.26 -5.18 117.35 110.91 1j2t s TYR 211 Ca 0.05 -0.19 0.11 0.00 -0.52 0.00 0.00 57.07 56.52 1j2t s TYR 211 Cb 0.02 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 1j2t s TYR 211 CO 0.00 -1.07 -0.24 -0.51 -1.52 0.00 0.00 175.55 172.20 1j2t s ASP 212 N -2.89 3.46 -0.03 -0.18 1.11 -1.26 -5.09 116.67 111.78 1j2t s ASP 212 Ca 0.10 -0.79 0.04 0.00 0.18 0.00 0.00 52.55 52.08 1j2t s ASP 212 Cb -0.03 -0.28 -0.01 0.00 1.07 0.00 0.00 42.92 43.67 1j2t s ASP 212 CO 0.01 0.15 -0.16 -0.69 1.18 0.00 0.00 175.17 175.66 1j2t s VAL 213 N -1.39 1.29 -0.01 -1.27 1.01 -1.26 -5.13 120.40 113.64 1j2t s VAL 213 Ca 0.18 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1j2t s VAL 213 Cb -0.09 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1j2t s VAL 213 CO 0.09 0.37 -0.08 -0.36 0.00 0.00 0.00 175.10 175.12 1j2t s PHE 214 N -0.08 0.81 0.71 5.22 0.08 -1.26 -3.49 117.98 119.96 1j2t s PHE 214 Ca -0.00 -0.17 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1j2t s PHE 214 Cb -0.09 -0.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.84 1j2t s PHE 214 CO 0.01 -0.04 1.26 -2.14 -0.10 0.00 0.00 175.22 174.20 1j2t s PRO 215 N -0.04 2.21 0.23 0.24 0.02 -1.26 -5.07 135.00 131.33 1j2t s PRO 215 Ca 0.01 1.94 -0.31 0.00 0.02 0.00 0.00 61.00 62.66 1j2t s PRO 215 Cb -0.05 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 1j2t s PRO 215 CO -0.00 -1.83 1.58 0.54 -0.33 0.00 0.00 177.00 176.96 1j2t s VAL 216 N -1.69 2.36 -0.47 3.83 0.11 -1.23 -4.96 120.40 118.35 1j2t s VAL 216 Ca 0.79 0.28 -0.21 0.00 -2.93 0.00 0.00 61.98 59.91 1j2t s VAL 216 Cb -0.34 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1j2t s VAL 216 CO 0.44 0.03 0.68 -0.62 -3.33 0.00 0.00 175.10 172.30 1j2t s ASP 217 N 0.80 6.30 0.60 3.54 3.68 -1.26 -4.95 116.67 125.38 1j2t s ASP 217 Ca 0.67 -0.48 0.31 0.00 2.13 0.00 0.00 52.55 55.18 1j2t s ASP 217 Cb -0.46 -2.33 1.85 0.00 -1.45 0.00 0.00 42.92 40.53 1j2t s ASP 217 CO 0.39 -0.87 2.22 -0.65 0.13 0.00 0.00 175.17 176.38 1j2t h PRO 218 N 8.97 0.00 0.00 4.34 0.11 -1.95 -1.91 132.00 141.56 1j2t h PRO 218 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1j2t h PRO 218 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j2t h PRO 218 CO 0.94 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.59 1j2t h ALA 219 N 1.91 1.37 0.00 -0.75 0.00 -2.00 -2.33 119.26 117.46 1j2t h ALA 219 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j2t h ALA 219 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j2t h ALA 219 CO -0.00 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.96 1j2t n ARG 220 N -3.79 0.52 -4.45 0.00 1.74 -0.72 -4.68 116.66 105.29 1j2t n ARG 220 Ca -0.02 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1j2t n ARG 220 Cb 0.24 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.46 3.98 0.30 0.55 2.01 -0.88 -4.90 115.64 114.24 1j2t s THR 221 Ca 0.31 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 1j2t s THR 221 Cb 0.20 -2.69 -0.13 0.00 0.01 0.00 0.00 72.50 69.89 1j2t s THR 221 CO 0.43 0.56 1.25 -2.65 -0.69 0.00 0.00 174.62 173.52 1j2t n PRO 222 N 2.74 1.89 -0.30 4.92 -0.02 -1.26 -4.85 135.00 138.12 1j2t n PRO 222 Ca -0.18 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1j2t n PRO 222 Cb 0.53 -2.22 0.30 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.91 1.34 0.00 3.55 0.00 -1.90 0.61 119.26 125.76 1j2t h ALA 223 Ca -0.44 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j2t h ALA 223 Cb 1.30 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1j2t h ALA 223 CO 0.66 -0.45 0.00 -1.35 0.00 0.00 0.00 179.25 178.11 1j2t h PRO 224 N 0.25 0.00 0.00 0.00 0.11 -1.97 -3.46 132.00 126.93 1j2t h PRO 224 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1j2t h PRO 224 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j2t h PRO 224 CO -0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.58 1j2t n GLY 225 N -0.33 0.76 3.84 -0.55 0.00 0.21 -3.65 105.19 105.47 1j2t n GLY 225 Ca 0.00 0.00 -0.32 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 -2.20 4.54 -0.68 2.61 -4.23 -1.26 -4.44 115.64 109.96 1j2t s THR 226 Ca 0.00 1.20 0.22 0.00 -1.18 0.00 0.00 61.69 61.93 1j2t s THR 226 Cb 0.00 -3.64 -0.19 0.00 1.34 0.00 0.00 72.50 70.00 1j2t s THR 226 CO 0.00 -0.39 0.90 0.18 -0.54 0.00 0.00 174.62 174.77 1j2t n LEU 227 N -0.84 0.65 -3.66 4.79 4.77 -0.90 -4.35 117.00 117.46 1j2t n LEU 227 Ca 0.06 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 1j2t n LEU 227 Cb 0.54 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1j2t n LEU 227 CO 0.41 0.12 0.15 -0.94 -1.33 0.00 0.00 177.39 175.81 1j2t s SER 228 N -3.60 -0.21 -0.01 -1.43 1.04 -1.17 -1.12 113.70 107.20 1j2t s SER 228 Ca 0.04 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.80 1j2t s SER 228 Cb 0.15 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 1j2t s SER 228 CO 0.84 -0.87 1.01 -0.55 0.98 0.00 0.00 173.24 174.65 1j2t s SER 229 N -2.82 7.32 -0.16 7.02 0.15 -1.26 -4.21 113.70 119.76 1j2t s SER 229 Ca 0.04 1.68 0.09 0.00 0.70 0.00 0.00 55.95 58.46 1j2t s SER 229 Cb 0.02 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.29 1j2t s SER 229 CO -0.11 -0.31 1.32 0.00 1.20 0.00 0.00 173.24 175.34 1j2t n ALA 230 N 4.05 3.42 -0.34 5.45 0.00 -1.26 -4.07 120.51 127.77 1j2t n ALA 230 Ca 0.07 -1.25 0.10 0.00 0.00 0.00 0.00 53.44 52.35 1j2t n ALA 230 Cb 0.50 -1.09 0.27 0.00 0.00 0.00 0.00 19.45 19.13 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 2.58 0.75 -0.43 0.00 3.64 -1.92 -0.68 116.57 120.51 1j2t h LYS 231 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1j2t h LYS 231 Cb 1.47 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1j2t h LYS 231 CO 0.33 0.50 0.00 0.25 -2.27 0.00 0.00 179.45 178.25 1j2t n THR 232 N -4.77 0.57 -1.73 1.00 -2.24 -1.26 -4.95 114.28 100.91 1j2t n THR 232 Ca 0.20 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1j2t n THR 232 Cb 0.47 0.31 0.06 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.43 2.35 0.09 6.98 0.00 -0.26 -5.03 121.76 124.46 1j2t s ALA 233 Ca 0.30 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 1j2t s ALA 233 Cb 0.16 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1j2t s ALA 233 CO 0.21 -1.54 0.38 -1.54 0.00 0.00 0.00 175.76 173.27 1j2t s SER 234 N -1.70 -0.21 0.21 0.00 1.04 -1.26 -4.95 113.70 106.84 1j2t s SER 234 Ca 0.78 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.87 1j2t s SER 234 Cb -0.32 0.44 0.28 0.00 0.10 0.00 0.00 66.02 66.52 1j2t s SER 234 CO 0.39 -0.77 1.78 -0.09 0.98 0.00 0.00 173.24 175.53 1j2t h ARG 235 N 2.65 0.55 -0.79 4.02 2.43 -1.86 -1.83 114.38 119.56 1j2t h ARG 235 Ca -0.33 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1j2t h ARG 235 Cb 1.23 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1j2t h ARG 235 CO 0.47 0.37 0.43 0.93 -1.51 0.00 0.00 179.97 180.65 1j2t h GLU 236 N 0.57 1.10 -0.86 0.20 3.07 -1.95 0.30 114.58 117.00 1j2t h GLU 236 Ca 0.32 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1j2t h GLU 236 Cb 0.31 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 1j2t h GLU 236 CO -0.25 0.82 0.54 0.87 -1.40 0.00 0.00 179.01 179.60 1j2t h LYS 237 N 1.09 1.16 -0.68 2.33 1.57 -1.77 -2.15 116.57 118.11 1j2t h LYS 237 Ca 0.28 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1j2t h LYS 237 Cb 0.04 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1j2t h LYS 237 CO -0.04 0.79 0.28 0.78 -0.57 0.00 0.00 179.45 180.69 1j2t h GLY 238 N 1.18 1.10 1.15 3.86 0.00 -0.52 -0.85 103.07 108.99 1j2t h GLY 238 Ca 0.31 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1j2t h GLY 238 CO -0.06 0.56 0.39 0.83 0.00 0.00 0.00 176.54 178.26 1j2t h GLU 239 N 0.97 1.10 -0.02 4.80 5.08 -0.67 -0.47 114.58 125.38 1j2t h GLU 239 Ca 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1j2t h GLU 239 Cb 0.21 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j2t h GLU 239 CO -0.02 0.83 -0.01 1.25 -1.00 0.00 0.00 179.01 180.06 1j2t h LEU 240 N 1.10 0.04 -0.62 1.33 5.85 -0.96 -1.72 115.31 120.34 1j2t h LEU 240 Ca 0.27 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1j2t h LEU 240 Cb 0.08 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1j2t h LEU 240 CO -0.04 0.48 0.17 0.40 -0.34 0.00 0.00 178.44 179.12 1j2t h ILE 241 N -0.40 0.67 -0.41 4.05 2.04 -0.99 -0.75 117.51 121.73 1j2t h ILE 241 Ca 0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1j2t h ILE 241 Cb 0.47 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1j2t h ILE 241 CO 0.00 0.06 0.16 0.25 0.00 0.00 0.00 178.15 178.62 1j2t h LEU 242 N 0.32 0.56 -0.41 1.44 5.85 -0.97 0.12 115.31 122.22 1j2t h LEU 242 Ca 0.32 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1j2t h LEU 242 Cb 0.47 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1j2t h LEU 242 CO -0.38 0.58 0.18 -0.33 -0.34 0.00 0.00 178.44 178.16 1j2t h GLU 243 N 0.51 0.60 -0.11 1.25 4.39 -0.75 -1.20 114.58 119.28 1j2t h GLU 243 Ca 0.14 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1j2t h GLU 243 Cb 0.20 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1j2t h GLU 243 CO -0.01 0.54 0.03 0.28 -1.16 0.00 0.00 179.01 178.69 1j2t h VAL 244 N 0.52 1.19 -0.13 3.13 2.07 -0.91 -2.00 116.25 120.12 1j2t h VAL 244 Ca 0.14 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1j2t h VAL 244 Cb 0.15 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1j2t h VAL 244 CO -0.01 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.80 1j2t h VAL 246 N 0.08 1.12 -0.12 0.00 2.07 -1.23 -1.00 116.25 117.17 1j2t h VAL 246 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1j2t h VAL 246 Cb 0.12 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1j2t h VAL 246 CO -0.01 0.11 0.07 -0.61 0.02 0.00 0.00 177.57 177.15 1j2t h GLN 247 N 0.61 0.17 -0.63 1.57 5.75 -1.29 -0.44 115.11 120.84 1j2t h GLN 247 Ca 0.16 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1j2t h GLN 247 Cb -0.06 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1j2t h GLN 247 CO -0.03 0.20 0.19 0.78 -2.65 0.00 0.00 178.83 177.32 1j2t h GLY 248 N 0.10 1.06 1.03 2.39 0.00 -1.15 -0.87 103.07 105.62 1j2t h GLY 248 Ca 0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 1j2t h GLY 248 CO -0.01 0.59 -0.43 -2.22 0.00 0.00 0.00 176.54 174.48 1j2t h ILE 249 N 0.91 1.30 -0.50 2.60 2.04 -1.11 -0.93 117.51 121.82 1j2t h ILE 249 Ca 0.20 -1.63 0.05 0.00 1.00 0.00 0.00 64.86 64.48 1j2t h ILE 249 Cb 0.30 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1j2t h ILE 249 CO -0.01 0.52 0.24 0.00 0.00 0.00 0.00 178.15 178.91 1j2t h ALA 250 N 0.65 0.64 -0.51 1.87 0.00 -0.91 -0.16 119.26 120.84 1j2t h ALA 250 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1j2t h ALA 250 Cb 1.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1j2t h ALA 250 CO 0.10 -0.12 0.25 -0.44 0.00 0.00 0.00 179.25 179.04 1j2t h ASP 251 N 0.47 0.66 -0.62 0.00 3.32 -1.01 -1.82 116.42 117.43 1j2t h ASP 251 Ca 0.22 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1j2t h ASP 251 Cb 0.15 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1j2t h ASP 251 CO -0.17 0.60 0.29 0.00 -1.72 0.00 0.00 179.24 178.24 1j2t h ALA 252 N 1.09 0.80 -0.60 3.45 0.00 -0.65 -1.91 119.26 121.44 1j2t h ALA 252 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1j2t h ALA 252 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1j2t h ALA 252 CO -0.02 0.36 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 1j2t h ILE 253 N 0.85 1.27 -0.51 0.00 2.04 -0.87 -1.22 117.51 119.06 1j2t h ILE 253 Ca 0.21 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1j2t h ILE 253 Cb 0.13 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1j2t h ILE 253 CO -0.03 0.43 0.21 0.03 0.00 0.00 0.00 178.15 178.79 1j2t h ARG 254 N 0.97 0.73 -0.19 2.37 3.08 -1.12 0.68 114.38 120.90 1j2t h ARG 254 Ca 0.17 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1j2t h ARG 254 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1j2t h ARG 254 CO 0.03 0.60 -0.05 1.49 -1.07 0.00 0.00 179.97 180.98 1j2t h GLU 255 N 0.73 0.37 0.06 0.04 4.81 -1.00 -2.82 114.58 116.76 1j2t h GLU 255 Ca 0.18 -0.14 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 1j2t h GLU 255 Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1j2t h GLU 255 CO -0.02 0.63 -1.10 0.93 -0.73 0.00 0.00 179.01 178.72 1j2t h GLU 256 N 0.09 0.14 -2.62 1.92 4.39 -0.93 -3.38 114.58 114.19 1j2t h GLU 256 Ca 0.05 -0.22 -0.60 0.00 0.34 0.00 0.00 59.36 58.92 1j2t h GLU 256 Cb 0.49 0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 28.81 1j2t h GLU 256 CO 0.02 1.09 -0.71 1.19 -1.16 0.00 0.00 179.01 179.44 1j2t n PHE 257 N -3.46 2.20 -1.88 4.33 3.72 0.24 -5.09 117.46 117.53 1j2t n PHE 257 Ca -0.04 -4.01 -0.33 0.00 -0.05 0.00 0.00 57.45 53.02 1j2t n PHE 257 Cb 0.96 -0.41 0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.41 2.99 0.00 -1.08 0.05 -1.07 -4.49 135.00 130.00 1j2t s PRO 258 Ca 0.31 1.35 0.00 0.00 0.05 0.00 0.00 61.00 62.71 1j2t s PRO 258 Cb 0.04 -1.98 0.00 0.00 0.05 0.00 0.00 34.50 32.61 1j2t s PRO 258 CO -0.13 -1.09 0.47 -2.30 0.05 0.00 0.00 177.00 174.00