#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2t n SER 4 N 0.00 -1.90 -0.81 4.39 2.88 -1.26 -4.91 113.62 112.01 1j2t n SER 4 Ca 0.00 0.77 0.12 0.00 -1.33 0.00 0.00 58.87 58.43 1j2t n SER 4 Cb 0.00 -0.75 0.14 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.54 0.00 -3.25 2.46 0.24 -1.26 -4.91 118.33 111.07 1j2t n VAL 5 Ca 0.11 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.34 61.60 1j2t n VAL 5 Cb 0.29 1.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 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 -2.08 3.36 0.28 6.34 0.40 -1.26 0.10 117.98 125.11 1j2t s PHE 6 Ca 0.28 0.75 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 1j2t s PHE 6 Cb 0.20 -2.67 0.53 0.00 0.51 0.00 0.00 43.02 41.59 1j2t s PHE 6 CO 0.35 -0.12 1.83 0.28 0.70 0.00 0.00 175.22 178.26 1j2t h VAL 7 N 5.15 0.91 0.00 -0.44 2.07 -1.31 -0.76 116.25 121.87 1j2t h VAL 7 Ca -0.33 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1j2t h VAL 7 Cb 1.15 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1j2t h VAL 7 CO 0.74 0.17 -0.01 1.23 0.02 0.00 0.00 177.57 179.72 1j2t h GLY 8 N 0.95 0.00 -1.79 2.17 0.00 -1.94 -1.47 103.07 101.00 1j2t h GLY 8 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1j2t h GLY 8 CO -0.27 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.45 1j2t n GLU 9 N -3.63 2.24 -4.03 4.80 1.02 -0.30 -4.92 120.64 115.81 1j2t n GLU 9 Ca -0.03 -1.86 -0.25 0.00 -0.02 0.00 0.00 57.16 55.00 1j2t n GLU 9 Cb 0.10 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 4.06 0.63 -4.62 1.43 -0.55 -4.95 118.68 113.15 1j2t s LEU 10 Ca 0.36 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 1j2t s LEU 10 Cb 0.21 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1j2t s LEU 10 CO 0.30 0.02 1.00 0.42 0.23 0.00 0.00 176.35 178.32 1j2t s THR 11 N -1.85 4.12 0.40 5.49 -4.23 -1.26 -4.91 115.64 113.40 1j2t s THR 11 Ca 0.33 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 1j2t s THR 11 Cb -0.10 -3.66 0.19 0.00 1.34 0.00 0.00 72.50 70.28 1j2t s THR 11 CO 0.26 -0.81 1.96 4.11 -0.54 0.00 0.00 174.62 179.61 1j2t h TRP 12 N -0.34 0.32 -0.44 3.99 5.08 -1.99 -1.68 115.95 120.89 1j2t h TRP 12 Ca -0.45 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.47 1j2t h TRP 12 Cb 1.23 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 1j2t h TRP 12 CO 0.56 0.34 0.15 0.87 -1.28 0.00 0.00 178.44 179.09 1j2t h LYS 13 N 0.31 0.67 -0.43 0.12 1.79 -1.99 0.11 116.57 117.15 1j2t h LYS 13 Ca 0.07 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1j2t h LYS 13 Cb 0.24 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1j2t h LYS 13 CO 0.01 0.63 0.24 0.93 -1.08 0.00 0.00 179.45 180.18 1j2t h GLU 14 N 0.56 0.59 0.05 3.15 5.08 -1.80 -0.89 114.58 121.32 1j2t h GLU 14 Ca 0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1j2t h GLU 14 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1j2t h GLU 14 CO -0.01 0.47 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.53 1j2t h TYR 15 N 0.56 -0.06 -0.69 4.33 3.20 -1.19 -1.37 116.97 121.74 1j2t h TYR 15 Ca 0.15 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.13 1j2t h TYR 15 Cb 0.04 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 1j2t h TYR 15 CO -0.02 0.02 0.30 1.49 -1.64 0.00 0.00 178.16 178.31 1j2t h GLU 16 N -0.13 0.49 -0.64 1.82 4.81 -0.62 -0.56 114.58 119.75 1j2t h GLU 16 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1j2t h GLU 16 Cb 0.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1j2t h GLU 16 CO 0.01 0.32 0.33 0.00 -0.73 0.00 0.00 179.01 178.94 1j2t h ALA 17 N 1.46 0.82 -0.65 2.92 0.00 -0.86 0.15 119.26 123.10 1j2t h ALA 17 Ca 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1j2t h ALA 17 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1j2t h ALA 17 CO -0.31 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.49 1j2t h ARG 18 N 0.87 1.01 -0.39 0.00 2.47 -0.39 -2.20 114.38 115.75 1j2t h ARG 18 Ca 0.22 -0.22 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1j2t h ARG 18 Cb 0.08 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1j2t h ARG 18 CO -0.03 0.89 -0.29 0.28 0.56 0.00 0.00 179.97 181.38 1j2t h VAL 19 N 0.94 1.28 0.00 2.04 2.07 -0.87 -2.98 116.25 118.73 1j2t h VAL 19 Ca 0.21 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1j2t h VAL 19 Cb 0.31 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1j2t h VAL 19 CO -0.01 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 178.05 1j2t h ALA 20 N 0.97 1.27 0.00 1.67 0.00 -0.24 -2.18 119.26 120.75 1j2t h ALA 20 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j2t h ALA 20 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 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 1.99 1.00 0.00 0.00 0.00 -1.25 -3.47 119.26 117.53 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 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 -0.51 2.77 1.52 0.00 0.00 -0.82 -4.87 105.19 103.29 1j2t n GLY 22 Ca -0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 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 0.44 2.83 -4.70 1.61 3.85 -1.26 -5.00 116.55 114.31 1j2t n ASP 23 Ca 0.00 -3.38 -0.42 0.00 -0.71 0.00 0.00 54.79 50.28 1j2t n ASP 23 Cb 0.00 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.32 1j2t n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j2t s VAL 25 N 1.60 5.16 0.04 0.00 1.01 -1.26 -4.23 120.40 122.71 1j2t s VAL 25 Ca 0.63 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1j2t s VAL 25 Cb -0.33 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1j2t s VAL 25 CO 0.28 0.44 -0.00 -0.76 0.00 0.00 0.00 175.10 175.06 1j2t s LEU 26 N 0.46 3.47 -0.03 3.92 1.43 -0.34 -1.57 118.68 126.01 1j2t s LEU 26 Ca 0.06 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1j2t s LEU 26 Cb -0.12 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1j2t s LEU 26 CO -0.00 0.24 -0.16 -0.04 0.23 0.00 0.00 176.35 176.62 1j2t s MET 27 N -1.85 1.45 -0.22 1.70 -1.94 0.33 -0.14 119.30 118.63 1j2t s MET 27 Ca 0.22 -0.55 -0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1j2t s MET 27 Cb -0.12 -1.33 0.06 0.00 2.01 0.00 0.00 34.83 35.45 1j2t s MET 27 CO 0.13 0.27 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.22 1j2t s LEU 28 N -0.13 2.06 0.23 -0.03 2.96 0.43 0.04 118.68 124.23 1j2t s LEU 28 Ca 0.01 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 1j2t s LEU 28 Cb -0.09 -0.97 -0.09 0.00 0.50 0.00 0.00 46.19 45.54 1j2t s LEU 28 CO 0.01 -0.25 1.17 -2.84 -1.32 0.00 0.00 176.35 173.11 1j2t s PRO 29 N 1.56 4.53 -0.23 0.98 0.02 -1.26 -1.15 135.00 139.45 1j2t s PRO 29 Ca -0.04 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1j2t s PRO 29 Cb -0.18 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.19 1j2t s PRO 29 CO -0.07 0.00 -0.04 0.08 -0.33 0.00 0.00 177.00 176.65 1j2t s VAL 30 N -0.50 1.34 0.00 3.83 1.01 -0.36 -1.16 120.40 124.55 1j2t s VAL 30 Ca 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1j2t s VAL 30 Cb -0.33 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1j2t s VAL 30 CO 0.39 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1j2t n GLY 31 N 4.74 4.39 3.58 4.51 0.00 -0.01 -0.78 105.19 121.62 1j2t n GLY 31 Ca -0.11 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.23 -2.00 -0.32 4.61 0.00 -1.23 -2.90 121.76 117.70 1j2t s ALA 32 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1j2t s ALA 32 Cb 0.00 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1j2t s ALA 32 CO 0.00 -0.71 0.05 -1.17 0.00 0.00 0.00 175.76 173.93 1j2t s LEU 33 N -2.42 4.13 -0.14 0.00 2.96 -1.14 -4.23 118.68 117.85 1j2t s LEU 33 Ca 0.09 -1.23 -0.15 0.00 -0.22 0.00 0.00 54.13 52.62 1j2t s LEU 33 Cb -0.00 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.94 1j2t s LEU 33 CO -0.05 -0.30 0.41 -0.70 -1.32 0.00 0.00 176.35 174.39 1j2t s GLU 34 N 1.32 0.52 0.26 1.98 2.12 -0.53 -1.27 118.70 123.10 1j2t s GLU 34 Ca -0.03 0.48 -0.30 0.00 0.36 0.00 0.00 54.97 55.47 1j2t s GLU 34 Cb -0.20 0.25 -0.14 0.00 0.26 0.00 0.00 34.13 34.31 1j2t s GLU 34 CO 0.01 -0.08 1.27 0.00 -0.54 0.00 0.00 175.26 175.91 1j2t n GLN 35 N 2.62 1.77 -2.58 4.30 -0.00 -1.26 -4.35 117.38 117.88 1j2t n GLN 35 Ca -0.14 0.63 -0.15 0.00 -0.00 0.00 0.00 57.00 57.34 1j2t n GLN 35 Cb 0.57 -2.19 0.02 0.00 -0.00 0.00 0.00 30.24 28.64 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 1.20 1.97 -3.78 2.61 8.25 -1.26 -4.97 115.22 119.24 1j2t n HIS 36 Ca 0.10 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.76 1j2t n HIS 36 Cb 0.31 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.28 -2.11 0.06 -1.41 0.00 -1.25 -3.77 105.19 96.43 1j2t n GLY 37 Ca 0.20 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.91 1j2t n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j2t n HIS 38 N -0.04 0.56 0.48 1.61 8.25 -1.26 -4.20 115.22 120.62 1j2t n HIS 38 Ca 0.00 0.16 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1j2t n HIS 38 Cb 0.00 -0.73 0.04 0.00 1.12 0.00 0.00 29.99 30.42 1j2t n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1j2t n HIS 39 N -1.98 0.00 -3.97 4.41 1.44 -1.26 -4.87 115.22 108.99 1j2t n HIS 39 Ca 0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 1j2t n HIS 39 Cb 0.40 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.42 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 -1.07 0.61 0.98 -1.40 0.00 -1.25 -0.41 119.30 116.75 1j2t s MET 40 Ca 0.13 -0.91 -0.16 0.00 0.00 0.00 0.00 55.69 54.74 1j2t s MET 40 Cb 0.09 0.23 0.21 0.00 0.00 0.00 0.00 34.83 35.37 1j2t s MET 40 CO 0.17 -0.15 1.33 0.00 0.00 0.00 0.00 175.02 176.38 1j2t n MET 42 N -3.83 1.32 -0.77 0.00 0.00 -1.26 -4.20 117.12 108.39 1j2t n MET 42 Ca 0.16 -1.05 0.08 0.00 0.00 0.00 0.00 57.70 56.90 1j2t n MET 42 Cb 0.59 -1.48 0.39 0.00 0.00 0.00 0.00 33.22 32.72 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 0.07 5.30 -0.20 7.83 2.04 -1.26 -1.45 115.26 127.59 1j2t n ASN 43 Ca 0.11 -2.69 0.01 0.00 -0.44 0.00 0.00 54.58 51.56 1j2t n ASN 43 Cb 0.46 -0.64 0.11 0.00 -2.53 0.00 0.00 39.78 37.19 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 4.09 0.59 0.00 3.53 2.07 -1.83 -1.37 116.25 123.33 1j2t h VAL 44 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1j2t h VAL 44 Cb 1.73 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1j2t h VAL 44 CO 0.37 0.04 0.00 0.47 0.02 0.00 0.00 177.57 178.47 1j2t n ASP 45 N -5.17 0.39 -0.10 0.57 8.00 -1.26 -1.08 116.55 117.89 1j2t n ASP 45 Ca 0.09 0.61 -0.24 0.00 0.71 0.00 0.00 54.79 55.97 1j2t n ASP 45 Cb 0.34 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.64 1j2t n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j2t n VAL 46 N -1.95 1.57 -0.14 2.53 0.31 -0.63 -3.95 118.33 116.07 1j2t n VAL 46 Ca 0.02 -0.30 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 1j2t n VAL 46 Cb 0.16 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.72 0.38 0.48 7.52 3.38 -0.90 -2.40 115.31 123.05 1j2t h LEU 47 Ca -0.50 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1j2t h LEU 47 Cb 1.59 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1j2t h LEU 47 CO -0.22 0.27 -0.23 -0.07 0.09 0.00 0.00 178.44 178.28 1j2t h LEU 48 N 0.49 -0.55 -1.36 1.67 3.38 -1.35 -0.84 115.31 116.75 1j2t h LEU 48 Ca 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1j2t h LEU 48 Cb 0.05 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1j2t h LEU 48 CO -0.10 -0.21 0.20 1.55 0.09 0.00 0.00 178.44 179.96 1j2t h PRO 49 N -0.91 0.63 -0.50 1.13 0.13 -1.76 -1.59 132.00 129.12 1j2t h PRO 49 Ca -0.07 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1j2t h PRO 49 Cb 0.59 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1j2t h PRO 49 CO 0.11 0.51 0.30 1.15 -0.23 0.00 0.00 178.00 179.83 1j2t h THR 50 N 0.63 1.16 -0.49 1.56 2.02 -1.33 0.23 112.91 116.69 1j2t h THR 50 Ca 0.16 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 1j2t h THR 50 Cb 0.10 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1j2t h THR 50 CO -0.02 0.16 -0.03 0.00 0.37 0.00 0.00 175.52 176.01 1j2t h ALA 51 N 1.14 1.03 -0.31 6.16 0.00 -0.69 -0.34 119.26 126.24 1j2t h ALA 51 Ca 0.18 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1j2t h ALA 51 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1j2t h ALA 51 CO -0.03 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 1j2t h VAL 52 N 0.78 1.29 -0.64 0.00 2.07 -0.97 -2.41 116.25 116.36 1j2t h VAL 52 Ca 0.14 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1j2t h VAL 52 Cb 0.51 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1j2t h VAL 52 CO 0.03 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.33 1j2t h LYS 54 N 0.62 0.02 -0.61 0.00 3.64 -0.90 0.37 116.57 119.72 1j2t h LYS 54 Ca 0.29 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1j2t h LYS 54 Cb 0.21 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1j2t h LYS 54 CO -0.19 0.01 0.06 0.00 -2.27 0.00 0.00 179.45 177.06 1j2t h ARG 55 N 0.02 1.04 -0.38 1.90 3.08 -1.25 -0.60 114.38 118.19 1j2t h ARG 55 Ca 0.04 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 1j2t h ARG 55 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1j2t h ARG 55 CO -0.07 0.99 -0.04 0.28 -1.07 0.00 0.00 179.97 180.06 1j2t h VAL 56 N 0.94 1.27 -0.72 2.04 2.07 -0.96 -2.50 116.25 118.39 1j2t h VAL 56 Ca 0.18 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1j2t h VAL 56 Cb 0.48 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1j2t h VAL 56 CO 0.02 0.36 0.44 0.00 0.02 0.00 0.00 177.57 178.41 1j2t h ALA 57 N 0.85 0.92 -0.70 1.67 0.00 0.01 -1.24 119.26 120.76 1j2t h ALA 57 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1j2t h ALA 57 Cb 0.53 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1j2t h ALA 57 CO 0.03 0.38 0.40 0.93 0.00 0.00 0.00 179.25 180.99 1j2t h GLU 58 N 0.98 0.72 -0.15 0.00 5.08 -0.98 0.25 114.58 120.49 1j2t h GLU 58 Ca 0.26 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1j2t h GLU 58 Cb -0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1j2t h GLU 58 CO -0.05 0.48 -0.69 0.00 -1.00 0.00 0.00 179.01 177.75 1j2t h ARG 59 N 0.75 0.63 -0.02 2.33 3.08 -0.97 -3.35 114.38 116.83 1j2t h ARG 59 Ca 0.31 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1j2t h ARG 59 Cb 0.17 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1j2t h ARG 59 CO -0.18 1.10 -0.18 0.44 -1.07 0.00 0.00 179.97 180.08 1j2t n ILE 60 N -3.92 0.00 -2.54 2.04 -5.35 -0.52 -4.98 119.36 104.09 1j2t n ILE 60 Ca -0.05 -0.41 -0.03 0.00 -0.27 0.00 0.00 62.75 61.99 1j2t n ILE 60 Cb 0.69 1.30 0.01 0.00 -1.74 0.00 0.00 39.64 39.90 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 1.13 0.65 4.00 3.28 0.00 0.01 -5.04 105.19 109.21 1j2t n GLY 61 Ca 0.09 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.87 4.56 0.12 4.61 0.00 -0.79 -4.69 121.76 122.71 1j2t s ALA 62 Ca 0.07 -1.88 0.10 0.00 0.00 0.00 0.00 51.96 50.24 1j2t s ALA 62 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1j2t s ALA 62 CO 0.08 -0.57 -0.24 -0.51 0.00 0.00 0.00 175.76 174.53 1j2t s LEU 63 N -4.47 2.31 -0.14 0.00 1.43 -0.61 -4.68 118.68 112.52 1j2t s LEU 63 Ca 0.55 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1j2t s LEU 63 Cb -0.06 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1j2t s LEU 63 CO 0.34 0.11 -0.16 -0.69 0.23 0.00 0.00 176.35 176.19 1j2t s VAL 64 N -1.13 2.71 0.55 -1.59 1.01 0.11 -0.52 120.40 121.55 1j2t s VAL 64 Ca 0.10 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1j2t s VAL 64 Cb -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1j2t s VAL 64 CO 0.05 0.53 0.92 -0.04 0.00 0.00 0.00 175.10 176.56 1j2t s MET 65 N 0.55 3.62 0.20 2.72 -1.94 0.11 -0.78 119.30 123.77 1j2t s MET 65 Ca -0.10 0.56 -0.33 0.00 -1.71 0.00 0.00 55.69 54.11 1j2t s MET 65 Cb -0.16 -2.21 -0.14 0.00 2.01 0.00 0.00 34.83 34.33 1j2t s MET 65 CO 0.04 -0.38 1.44 -2.30 -0.01 0.00 0.00 175.02 173.81 1j2t n PRO 66 N -2.39 1.95 -2.07 2.03 -0.02 -1.26 -4.51 135.00 128.73 1j2t n PRO 66 Ca 0.04 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.90 1j2t n PRO 66 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.50 1.96 -0.22 -1.23 0.00 -1.26 -4.75 107.32 102.31 1j2t s GLY 67 Ca 0.73 0.20 -0.29 0.00 0.00 0.00 0.00 44.72 45.36 1j2t s GLY 67 CO 0.46 0.49 1.08 1.08 0.00 0.00 0.00 173.10 176.21 1j2t s LEU 68 N -4.61 4.10 0.18 0.66 1.43 -0.31 -4.92 118.68 115.21 1j2t s LEU 68 Ca 0.60 1.41 0.18 0.00 -1.03 0.00 0.00 54.13 55.29 1j2t s LEU 68 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1j2t s LEU 68 CO 0.40 -0.70 1.11 1.56 0.23 0.00 0.00 176.35 178.95 1j2t h GLN 69 N 7.62 0.00 -5.05 1.70 1.08 -1.89 0.01 115.11 118.58 1j2t h GLN 69 Ca -0.20 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.38 1j2t h GLN 69 Cb 1.07 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.16 1j2t h GLN 69 CO 0.98 0.29 -0.86 0.71 -0.95 0.00 0.00 178.83 179.00 1j2t s TYR 70 N -3.03 2.17 0.00 2.96 1.51 -1.26 -2.89 117.35 116.81 1j2t s TYR 70 Ca 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 1j2t s TYR 70 Cb 0.08 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1j2t s TYR 70 CO 0.78 -0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 1j2t n GLY 71 N 3.66 4.24 3.78 0.71 0.00 -1.14 -4.76 105.19 111.68 1j2t n GLY 71 Ca -0.20 -2.19 -0.32 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 -0.70 2.70 -0.02 1.61 5.04 -1.26 -1.19 117.35 123.53 1j2t s TYR 72 Ca 0.00 1.54 -0.38 0.00 -2.44 0.00 0.00 57.07 55.79 1j2t s TYR 72 Cb 0.00 -3.08 -0.17 0.00 0.35 0.00 0.00 41.96 39.06 1j2t s TYR 72 CO 0.00 -1.62 1.43 1.63 -1.34 0.00 0.00 175.55 175.65 1j2t n LYS 73 N -2.84 1.06 -1.70 4.97 5.02 -1.24 -4.76 118.16 118.66 1j2t n LYS 73 Ca 0.09 0.38 -0.44 0.00 -2.02 0.00 0.00 58.31 56.33 1j2t n LYS 73 Cb 0.53 -2.03 -0.03 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 3.20 3.52 -4.75 4.39 2.88 -1.26 -4.91 113.62 116.68 1j2t n SER 74 Ca 0.21 1.10 -0.35 0.00 -1.33 0.00 0.00 58.87 58.50 1j2t n SER 74 Cb 0.16 -1.51 -0.08 0.00 -0.75 0.00 0.00 64.21 62.03 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 0.52 3.10 0.23 -1.46 -1.52 -1.26 -2.14 119.66 117.12 1j2t s GLN 75 Ca 0.73 -0.36 -0.10 0.00 -1.95 0.00 0.00 55.36 53.67 1j2t s GLN 75 Cb -0.58 -2.90 0.33 0.00 -0.22 0.00 0.00 33.01 29.65 1j2t s GLN 75 CO 0.40 0.71 1.63 0.37 -0.25 0.00 0.00 175.29 178.14 1j2t h GLN 76 N 4.85 0.04 0.00 2.91 4.15 -1.91 0.25 115.11 125.40 1j2t h GLN 76 Ca -0.51 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1j2t h GLN 76 Cb 1.20 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1j2t h GLN 76 CO 0.57 0.03 0.00 1.63 -1.93 0.00 0.00 178.83 179.13 1j2t n LYS 77 N -5.41 0.69 0.00 1.69 5.02 -1.26 -2.48 118.16 116.42 1j2t n LYS 77 Ca 0.11 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1j2t n LYS 77 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.10 0.00 0.00 4.39 3.41 -0.66 -4.16 113.62 115.51 1j2t n SER 78 Ca 0.18 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1j2t n SER 78 Cb 0.13 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1j2t n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2t n GLY 79 N 0.15 -0.40 1.19 5.00 0.00 0.79 -4.68 105.19 107.23 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 2.64 0.00 -0.02 0.00 -1.03 -4.80 105.19 101.97 1j2t n GLY 80 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 3.39 0.12 -0.02 0.00 -1.22 -4.37 105.19 103.08 1j2t n GLY 81 Ca 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 0.36 -0.00 1.61 2.85 -0.91 -3.30 115.26 115.86 1j2t n ASN 82 Ca 0.00 -1.82 0.13 0.00 -0.11 0.00 0.00 54.58 52.77 1j2t n ASN 82 Cb 0.00 -0.04 0.38 0.00 1.24 0.00 0.00 39.78 41.36 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 -0.39 0.00 -2.23 1.20 1.44 -1.26 -4.91 115.22 109.08 1j2t n HIS 83 Ca 0.06 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 1j2t n HIS 83 Cb 0.08 -0.34 -0.01 0.00 0.12 0.00 0.00 29.99 29.84 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 2.93 0.71 -1.40 0.40 -1.21 -5.02 117.98 111.40 1j2t s PHE 84 Ca 0.12 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.83 1j2t s PHE 84 Cb 0.18 -3.44 0.02 0.00 0.51 0.00 0.00 43.02 40.29 1j2t s PHE 84 CO 0.64 -1.56 1.13 -2.14 0.70 0.00 0.00 175.22 173.99 1j2t s PRO 85 N -2.46 2.49 0.00 0.24 0.02 -1.26 -3.65 135.00 130.38 1j2t s PRO 85 Ca 0.60 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1j2t s PRO 85 Cb -0.31 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1j2t s PRO 85 CO 0.39 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 1j2t n GLY 86 N -0.43 2.16 3.69 0.52 0.00 -1.26 -4.63 105.19 105.25 1j2t n GLY 86 Ca 0.11 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 0.29 -3.77 2.61 -1.04 -1.24 -4.59 114.28 106.54 1j2t n THR 87 Ca 0.00 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 1j2t n THR 87 Cb 0.00 -2.08 -0.15 0.00 -1.82 0.00 0.00 70.33 66.27 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 2.41 0.91 0.07 12.58 2.01 -0.40 -4.97 115.64 128.26 1j2t s THR 88 Ca 0.81 -1.16 0.08 0.00 0.31 0.00 0.00 61.69 61.73 1j2t s THR 88 Cb -0.49 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1j2t s THR 88 CO 0.37 -0.46 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.22 1j2t s SER 89 N 1.63 3.85 0.32 3.53 0.01 -1.26 -4.35 113.70 117.43 1j2t s SER 89 Ca 0.04 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 1j2t s SER 89 Cb -0.17 -0.59 -0.06 0.00 0.21 0.00 0.00 66.02 65.41 1j2t s SER 89 CO -0.17 0.22 0.61 -0.76 0.41 0.00 0.00 173.24 173.56 1j2t s LEU 90 N -1.75 4.00 0.69 2.44 1.43 -0.33 -4.86 118.68 120.29 1j2t s LEU 90 Ca 0.16 0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 53.96 1j2t s LEU 90 Cb -0.11 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1j2t s LEU 90 CO 0.07 -0.25 1.12 -1.81 0.23 0.00 0.00 176.35 175.71 1j2t s ASP 91 N -3.12 4.91 0.25 2.29 -0.00 -1.26 -3.69 116.67 116.05 1j2t s ASP 91 Ca 0.46 2.01 -0.05 0.00 -0.00 0.00 0.00 52.55 54.97 1j2t s ASP 91 Cb -0.11 -2.55 0.34 0.00 -0.00 0.00 0.00 42.92 40.60 1j2t s ASP 91 CO 0.30 -1.77 1.87 1.23 -0.00 0.00 0.00 175.17 176.80 1j2t h GLY 92 N -0.19 1.37 1.37 0.21 0.00 -1.98 -2.04 103.07 101.81 1j2t h GLY 92 Ca -0.46 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1j2t h GLY 92 CO 0.53 0.33 0.33 0.00 0.00 0.00 0.00 176.54 177.73 1j2t h ALA 93 N 1.41 1.44 -0.14 3.60 0.00 -1.99 -0.74 119.26 122.85 1j2t h ALA 93 Ca 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1j2t h ALA 93 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j2t h ALA 93 CO -0.15 0.46 -0.04 1.15 0.00 0.00 0.00 179.25 180.67 1j2t h THR 94 N 0.84 1.29 -0.17 0.00 2.02 -1.76 0.01 112.91 115.14 1j2t h THR 94 Ca 0.22 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1j2t h THR 94 Cb 0.02 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1j2t h THR 94 CO -0.04 0.29 0.03 0.25 0.37 0.00 0.00 175.52 176.43 1j2t h LEU 95 N -0.04 0.27 -0.52 2.58 5.85 -1.20 -1.09 115.31 121.15 1j2t h LEU 95 Ca 0.03 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1j2t h LEU 95 Cb 0.47 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1j2t h LEU 95 CO 0.01 0.45 0.23 0.74 -0.34 0.00 0.00 178.44 179.54 1j2t h THR 96 N 0.07 0.89 -0.47 1.05 2.02 -1.16 -2.11 112.91 113.21 1j2t h THR 96 Ca 0.05 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1j2t h THR 96 Cb 0.30 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1j2t h THR 96 CO 0.00 0.08 0.06 1.23 0.37 0.00 0.00 175.52 177.27 1j2t h GLY 97 N 0.45 0.80 0.90 2.16 0.00 -0.81 -0.80 103.07 105.77 1j2t h GLY 97 Ca 0.24 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1j2t h GLY 97 CO -0.20 0.45 0.09 -0.84 0.00 0.00 0.00 176.54 176.04 1j2t h THR 98 N 0.71 1.19 -0.36 4.70 2.02 -0.77 0.16 112.91 120.57 1j2t h THR 98 Ca 0.15 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1j2t h THR 98 Cb 0.34 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1j2t h THR 98 CO 0.01 0.20 0.14 0.58 0.37 0.00 0.00 175.52 176.81 1j2t h VAL 99 N 0.29 1.19 -0.52 3.16 2.07 -1.20 -2.07 116.25 119.17 1j2t h VAL 99 Ca 0.09 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1j2t h VAL 99 Cb 0.22 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1j2t h VAL 99 CO -0.00 0.21 0.26 -0.61 0.02 0.00 0.00 177.57 177.45 1j2t h GLN 100 N 0.43 0.49 -0.64 1.57 4.15 -1.01 -1.59 115.11 118.52 1j2t h GLN 100 Ca 0.12 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1j2t h GLN 100 Cb 0.20 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1j2t h GLN 100 CO -0.01 0.32 0.17 -0.44 -1.93 0.00 0.00 178.83 176.95 1j2t h ASP 101 N 0.51 0.95 -0.28 -0.69 3.32 -0.77 -1.61 116.42 117.85 1j2t h ASP 101 Ca 0.23 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1j2t h ASP 101 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1j2t h ASP 101 CO -0.16 0.92 -0.01 0.40 -1.72 0.00 0.00 179.24 178.67 1j2t h ILE 102 N 0.93 1.26 -0.63 0.35 2.04 -1.12 -1.73 117.51 118.61 1j2t h ILE 102 Ca 0.20 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1j2t h ILE 102 Cb 0.33 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1j2t h ILE 102 CO -0.00 0.30 0.40 0.40 0.00 0.00 0.00 178.15 179.25 1j2t h ILE 103 N 0.28 1.17 -0.57 -0.67 2.04 -1.16 0.31 117.51 118.91 1j2t h ILE 103 Ca 0.08 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.67 1j2t h ILE 103 Cb 0.45 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1j2t h ILE 103 CO 0.02 0.17 0.24 -0.09 0.00 0.00 0.00 178.15 178.48 1j2t h ARG 104 N 0.85 0.43 -0.47 2.37 2.43 -1.13 -1.23 114.38 117.63 1j2t h ARG 104 Ca 0.23 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1j2t h ARG 104 Cb -0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1j2t h ARG 104 CO -0.05 0.28 -0.13 0.93 -1.51 0.00 0.00 179.97 179.50 1j2t h GLU 105 N 0.44 0.91 -0.81 0.20 4.39 -0.70 -1.95 114.58 117.06 1j2t h GLU 105 Ca 0.28 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1j2t h GLU 105 Cb 0.29 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1j2t h GLU 105 CO -0.25 1.01 0.39 -0.07 -1.16 0.00 0.00 179.01 178.93 1j2t h LEU 106 N 0.75 1.06 -1.08 1.33 3.38 -0.61 -1.77 115.31 118.37 1j2t h LEU 106 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1j2t h LEU 106 Cb 0.68 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1j2t h LEU 106 CO 0.05 0.89 0.35 0.00 0.09 0.00 0.00 178.44 179.82 1j2t h ALA 107 N 1.21 1.29 -0.77 1.53 0.00 -1.09 -1.20 119.26 120.21 1j2t h ALA 107 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j2t h ALA 107 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1j2t h ALA 107 CO -0.04 0.56 0.46 -0.09 0.00 0.00 0.00 179.25 180.15 1j2t h ARG 108 N 0.99 1.05 0.00 0.00 2.43 -0.55 -1.53 114.38 116.77 1j2t h ARG 108 Ca 0.25 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1j2t h ARG 108 Cb 0.09 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1j2t h ARG 108 CO -0.03 0.73 -0.06 0.45 -1.51 0.00 0.00 179.97 179.55 1j2t h HIS 109 N 1.06 0.00 0.00 2.20 3.86 -0.56 -3.46 115.15 118.26 1j2t h HIS 109 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1j2t h HIS 109 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1j2t h HIS 109 CO 0.00 0.06 0.00 0.41 0.86 0.00 0.00 177.93 179.26 1j2t n GLY 110 N -0.45 0.60 3.78 2.45 0.00 -0.58 -4.97 105.19 106.03 1j2t n GLY 110 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 2.93 0.00 4.61 0.00 -0.53 -4.95 121.76 121.81 1j2t s ALA 111 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1j2t s ALA 111 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1j2t s ALA 111 CO 0.00 -0.49 0.37 0.54 0.00 0.00 0.00 175.76 176.18 1j2t n ARG 112 N -0.64 0.14 -3.74 0.00 5.12 -1.26 -4.07 116.66 112.21 1j2t n ARG 112 Ca 0.08 -0.40 -0.25 0.00 -1.93 0.00 0.00 57.85 55.36 1j2t n ARG 112 Cb 0.50 -0.55 -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 -0.06 0.53 -0.03 5.56 0.52 -1.26 -0.95 118.95 123.25 1j2t s ARG 113 Ca 0.00 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1j2t s ARG 113 Cb 0.00 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.06 1j2t s ARG 113 CO 0.00 -0.45 -0.09 -1.17 0.02 0.00 0.00 175.30 173.61 1j2t s LEU 114 N 1.96 1.70 -0.22 2.53 2.96 -0.83 -1.20 118.68 125.57 1j2t s LEU 114 Ca 0.03 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1j2t s LEU 114 Cb -0.14 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 1j2t s LEU 114 CO -0.06 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.31 1j2t s VAL 115 N 0.37 3.67 -0.33 1.68 1.01 0.80 -1.00 120.40 126.61 1j2t s VAL 115 Ca -0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1j2t s VAL 115 Cb -0.11 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1j2t s VAL 115 CO 0.01 0.41 0.25 -0.76 0.00 0.00 0.00 175.10 175.00 1j2t s LEU 116 N 1.42 4.40 -0.38 3.92 1.43 0.34 -0.43 118.68 129.37 1j2t s LEU 116 Ca 0.05 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1j2t s LEU 116 Cb -0.14 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 43.97 1j2t s LEU 116 CO -0.01 -0.21 0.19 -0.32 0.23 0.00 0.00 176.35 176.23 1j2t s MET 117 N 1.77 2.62 0.14 1.70 1.75 -0.30 -1.46 119.30 125.53 1j2t s MET 117 Ca 0.07 -1.30 -0.27 0.00 -1.25 0.00 0.00 55.69 52.94 1j2t s MET 117 Cb -0.17 -3.64 -0.07 0.00 2.84 0.00 0.00 34.83 33.79 1j2t s MET 117 CO 0.11 -0.80 0.83 1.21 -0.65 0.00 0.00 175.02 175.71 1j2t s ASN 118 N 1.73 7.40 0.00 1.11 2.47 0.12 -1.23 114.94 126.55 1j2t s ASN 118 Ca 0.01 1.67 0.01 0.00 0.42 0.00 0.00 52.86 54.97 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 0.03 0.12 0.37 0.61 -3.72 0.00 0.00 177.10 174.51 1j2t n GLY 119 N 1.86 -0.72 2.92 1.21 0.00 0.04 -3.09 105.19 107.41 1j2t n GLY 119 Ca -0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.35 1.94 0.28 1.61 5.65 -1.24 -4.66 115.29 118.52 1j2t s HIS 120 Ca 0.01 -1.27 -0.05 0.00 0.25 0.00 0.00 55.06 53.99 1j2t s HIS 120 Cb 0.00 -1.42 0.54 0.00 -1.18 0.00 0.00 32.58 30.53 1j2t s HIS 120 CO 0.01 -0.66 1.58 -0.92 -0.65 0.00 0.00 174.74 174.10 1j2t h TYR 121 N 8.07 -0.29 0.00 3.88 3.20 -1.93 -1.10 116.97 128.80 1j2t h TYR 121 Ca -0.25 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1j2t h TYR 121 Cb 1.11 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.65 1j2t h TYR 121 CO 0.46 -0.40 0.00 0.93 -1.64 0.00 0.00 178.16 177.52 1j2t h GLU 122 N 0.02 0.00 0.00 1.82 3.07 -1.91 -3.25 114.58 114.33 1j2t h GLU 122 Ca 0.50 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.31 1j2t h GLU 122 Cb 0.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1j2t h GLU 122 CO -0.92 0.00 -0.25 -0.91 -1.40 0.00 0.00 179.01 175.54 1j2t h ASN 123 N 0.00 0.00 -0.51 1.42 2.35 -1.52 -3.40 115.58 113.92 1j2t h ASN 123 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1j2t h ASN 123 Cb 0.34 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.60 1j2t h ASN 123 CO 0.00 0.25 -0.34 0.28 -1.65 0.00 0.00 177.43 175.96 1j2t h SER 124 N 0.00 -1.17 0.68 5.81 0.02 -1.76 -1.43 113.55 115.70 1j2t h SER 124 Ca -0.00 0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1j2t h SER 124 Cb 0.63 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1j2t h SER 124 CO 0.03 -0.32 -0.31 0.24 -1.14 0.00 0.00 176.83 175.34 1j2t h MET 125 N -0.21 0.00 0.03 3.45 2.86 -1.90 -0.69 114.93 118.48 1j2t h MET 125 Ca 0.20 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.62 1j2t h MET 125 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1j2t h MET 125 CO -0.62 0.31 -0.97 0.74 1.06 0.00 0.00 176.91 177.42 1j2t h PHE 126 N 0.00 0.34 -0.21 -0.22 -1.00 -1.58 -1.22 116.94 113.05 1j2t h PHE 126 Ca -0.00 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 1j2t h PHE 126 Cb 0.73 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1j2t h PHE 126 CO 0.00 1.06 0.09 0.82 -1.61 0.00 0.00 178.31 178.67 1j2t h ILE 127 N 0.10 1.16 -0.69 -0.55 2.04 -0.92 -1.68 117.51 116.97 1j2t h ILE 127 Ca -0.06 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.38 1j2t h ILE 127 Cb 1.64 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.75 1j2t h ILE 127 CO 0.15 0.16 0.36 0.58 0.00 0.00 0.00 178.15 179.40 1j2t h VAL 128 N 0.19 0.89 -0.25 1.67 2.07 -1.02 -0.65 116.25 119.16 1j2t h VAL 128 Ca 0.07 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 1j2t h VAL 128 Cb 0.17 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1j2t h VAL 128 CO -0.01 0.11 -0.39 -0.08 0.02 0.00 0.00 177.57 177.23 1j2t h GLU 129 N 0.62 0.58 -0.61 1.57 4.57 -1.09 -1.71 114.58 118.52 1j2t h GLU 129 Ca 0.33 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1j2t h GLU 129 Cb 0.30 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1j2t h GLU 129 CO -0.24 0.87 0.32 0.78 -1.18 0.00 0.00 179.01 179.56 1j2t h GLY 130 N 1.04 0.92 0.91 1.92 0.00 -0.62 -1.10 103.07 106.13 1j2t h GLY 130 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1j2t h GLY 130 CO 0.08 0.41 0.08 -2.22 0.00 0.00 0.00 176.54 174.89 1j2t h ILE 131 N 0.82 1.13 -0.43 2.60 2.04 -0.93 -1.30 117.51 121.45 1j2t h ILE 131 Ca 0.21 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1j2t h ILE 131 Cb 0.07 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1j2t h ILE 131 CO -0.03 0.13 0.26 -0.78 0.00 0.00 0.00 178.15 177.72 1j2t h ASP 132 N 0.15 0.42 -0.24 1.72 1.82 -1.01 0.06 116.42 119.34 1j2t h ASP 132 Ca 0.06 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 1j2t h ASP 132 Cb 0.13 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1j2t h ASP 132 CO -0.01 0.30 -0.20 -0.07 -1.61 0.00 0.00 179.24 177.65 1j2t h LEU 133 N 0.52 0.70 -0.29 2.28 3.38 -1.12 -1.12 115.31 119.65 1j2t h LEU 133 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1j2t h LEU 133 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1j2t h LEU 133 CO -0.08 0.89 -0.01 0.00 0.09 0.00 0.00 178.44 179.34 1j2t h ALA 134 N 1.16 0.39 -0.28 1.53 0.00 -0.74 -2.43 119.26 118.90 1j2t h ALA 134 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1j2t h ALA 134 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1j2t h ALA 134 CO 0.05 0.14 -0.12 -0.07 0.00 0.00 0.00 179.25 179.25 1j2t h LEU 135 N 0.30 0.46 -0.10 0.00 3.38 -0.82 -0.28 115.31 118.25 1j2t h LEU 135 Ca 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1j2t h LEU 135 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1j2t h LEU 135 CO 0.02 0.61 0.04 -0.09 0.09 0.00 0.00 178.44 179.11 1j2t h ARG 136 N 0.44 0.09 -0.67 1.13 2.43 -1.11 -1.57 114.38 115.12 1j2t h ARG 136 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1j2t h ARG 136 Cb 0.48 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1j2t h ARG 136 CO 0.03 0.06 0.37 0.93 -1.51 0.00 0.00 179.97 179.85 1j2t h GLU 137 N 0.10 0.93 -0.89 0.20 5.08 -0.90 -2.31 114.58 116.78 1j2t h GLU 137 Ca 0.04 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1j2t h GLU 137 Cb 0.02 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 1j2t h GLU 137 CO -0.04 0.69 0.57 -0.07 -1.00 0.00 0.00 179.01 179.16 1j2t h LEU 138 N 0.91 0.95 -0.88 1.33 3.38 -0.82 -1.75 115.31 118.42 1j2t h LEU 138 Ca 0.24 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1j2t h LEU 138 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1j2t h LEU 138 CO -0.04 0.65 0.58 -0.09 0.09 0.00 0.00 178.44 179.62 1j2t h ARG 139 N 1.11 1.11 -0.36 1.13 2.43 -0.82 0.30 114.38 119.27 1j2t h ARG 139 Ca 0.36 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1j2t h ARG 139 Cb 0.02 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1j2t h ARG 139 CO -0.12 0.73 0.24 1.88 -1.51 0.00 0.00 179.97 181.19 1j2t h TYR 140 N 1.14 0.32 -0.28 2.20 0.05 -0.81 -0.24 116.97 119.35 1j2t h TYR 140 Ca 0.34 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1j2t h TYR 140 Cb -0.05 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1j2t h TYR 140 CO -0.01 0.18 0.00 0.00 -1.05 0.00 0.00 178.16 177.28 1j2t n ALA 141 N -2.52 2.48 -1.05 3.88 0.00 -0.46 -4.91 120.51 117.92 1j2t n ALA 141 Ca 0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 52.85 1j2t n ALA 141 Cb 0.19 -1.02 -0.01 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 1.13 0.53 3.53 0.00 0.00 -0.10 -5.03 105.19 105.24 1j2t n GLY 142 Ca 0.14 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.04 4.79 0.00 -0.61 1.01 0.95 -4.94 121.20 120.36 1j2t s ILE 143 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1j2t s ILE 143 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1j2t s ILE 143 CO 0.00 0.32 0.48 1.67 0.00 0.00 0.00 174.94 177.41 1j2t n GLN 144 N 4.81 0.31 -0.38 2.79 -0.06 -1.26 -2.86 117.38 120.73 1j2t n GLN 144 Ca -0.15 -0.59 0.08 0.00 -2.00 0.00 0.00 57.00 54.33 1j2t n GLN 144 Cb 0.52 -0.79 0.24 0.00 -4.06 0.00 0.00 30.24 26.14 1j2t n GLN 144 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1j2t n ASP 145 N -0.11 3.69 -4.70 1.69 3.85 -1.26 -4.94 116.55 114.77 1j2t n ASP 145 Ca 0.00 -2.60 -0.41 0.00 -0.71 0.00 0.00 54.79 51.07 1j2t n ASP 145 Cb 0.20 -0.44 -0.04 0.00 -1.35 0.00 0.00 41.12 39.49 1j2t n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1j2t s PHE 146 N -2.08 3.53 -0.02 2.11 2.19 -1.26 -4.85 117.98 117.59 1j2t s PHE 146 Ca 0.37 1.31 0.06 0.00 0.33 0.00 0.00 56.93 59.00 1j2t s PHE 146 Cb 0.26 -2.93 -0.01 0.00 -1.31 0.00 0.00 43.02 39.03 1j2t s PHE 146 CO 0.13 -0.06 -0.20 0.21 1.83 0.00 0.00 175.22 177.13 1j2t s LYS 147 N 1.37 1.71 -0.04 10.12 2.20 -0.13 -5.03 119.74 129.95 1j2t s LYS 147 Ca 0.40 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1j2t s LYS 147 Cb -0.18 -1.61 -0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1j2t s LYS 147 CO 0.17 0.40 -0.16 0.08 -0.36 0.00 0.00 175.35 175.48 1j2t s VAL 148 N -0.37 1.37 -0.16 4.02 1.01 -1.26 -1.97 120.40 123.03 1j2t s VAL 148 Ca 0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1j2t s VAL 148 Cb -0.09 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1j2t s VAL 148 CO -0.00 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.71 1j2t s VAL 149 N 0.08 3.19 -0.03 2.92 1.01 -0.17 -5.00 120.40 122.41 1j2t s VAL 149 Ca -0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1j2t s VAL 149 Cb -0.11 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1j2t s VAL 149 CO 0.02 0.49 -0.26 0.54 0.00 0.00 0.00 175.10 175.90 1j2t s VAL 150 N 0.75 2.03 0.06 2.92 0.11 -1.26 -0.51 120.40 124.51 1j2t s VAL 150 Ca -0.04 -1.09 -0.21 0.00 -2.93 0.00 0.00 61.98 57.71 1j2t s VAL 150 Cb -0.15 -1.69 0.05 0.00 -1.53 0.00 0.00 36.38 33.05 1j2t s VAL 150 CO 0.02 0.57 0.49 -1.48 -3.33 0.00 0.00 175.10 171.37 1j2t s LEU 151 N -0.51 0.04 -0.19 2.54 0.05 -0.53 -4.97 118.68 115.12 1j2t s LEU 151 Ca 0.07 0.08 -0.08 0.00 0.05 0.00 0.00 54.13 54.25 1j2t s LEU 151 Cb -0.11 2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 46.03 1j2t s LEU 151 CO 0.00 -0.73 0.07 -0.44 -0.55 0.00 0.00 176.35 174.70 1j2t s SER 152 N -2.10 5.66 0.47 1.48 0.01 -1.26 0.12 113.70 118.07 1j2t s SER 152 Ca -0.04 0.07 0.12 0.00 1.31 0.00 0.00 55.95 57.41 1j2t s SER 152 Cb -0.00 -1.98 1.08 0.00 0.21 0.00 0.00 66.02 65.33 1j2t s SER 152 CO -0.03 0.15 2.10 0.10 0.41 0.00 0.00 173.24 175.97 1j2t h TYR 153 N 6.85 0.25 0.00 2.43 -0.00 -1.91 -2.37 116.97 122.22 1j2t h TYR 153 Ca -0.37 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.34 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 0.58 0.16 -0.11 0.11 -0.00 0.00 0.00 178.16 178.89 1j2t h TRP 154 N 0.27 0.00 0.00 0.10 0.09 -1.95 -2.82 115.95 111.63 1j2t h TRP 154 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.07 1j2t h TRP 154 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.27 1j2t h TRP 154 CO -0.00 0.11 0.00 -0.44 0.09 0.00 0.00 178.44 178.20 1j2t h ASP 155 N 0.00 0.00 0.83 0.11 3.32 -1.86 -1.16 116.42 117.67 1j2t h ASP 155 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j2t h ASP 155 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1j2t h ASP 155 CO 0.01 0.00 -0.09 0.49 -1.72 0.00 0.00 179.24 177.93 1j2t n PHE 156 N -2.41 0.00 -2.90 4.55 3.01 -1.07 -4.44 117.46 114.21 1j2t n PHE 156 Ca -0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1j2t n PHE 156 Cb 0.14 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.17 1j2t n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j2t s VAL 157 N -2.92 4.65 -0.02 -4.37 1.01 -0.44 -4.70 120.40 113.62 1j2t s VAL 157 Ca 0.16 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1j2t s VAL 157 Cb 0.19 -4.80 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 1j2t s VAL 157 CO 0.55 -1.54 0.05 0.29 0.00 0.00 0.00 175.10 174.45 1j2t n LYS 158 N 6.76 1.61 -1.66 2.72 5.02 -1.26 -4.95 118.16 126.40 1j2t n LYS 158 Ca 0.23 -0.02 -0.48 0.00 -2.02 0.00 0.00 58.31 56.03 1j2t n LYS 158 Cb 0.49 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 1j2t n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j2t n ASP 159 N -1.84 3.38 -0.34 4.39 2.03 -1.26 -4.85 116.55 118.05 1j2t n ASP 159 Ca -0.03 0.88 0.12 0.00 0.52 0.00 0.00 54.79 56.28 1j2t n ASP 159 Cb 0.32 -1.38 0.31 0.00 -0.72 0.00 0.00 41.12 39.66 1j2t n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j2t h PRO 160 N 9.90 0.78 -0.63 -0.67 0.11 -1.99 -0.26 132.00 139.25 1j2t h PRO 160 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1j2t h PRO 160 Cb 1.27 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1j2t h PRO 160 CO 0.96 0.52 0.28 0.00 -0.21 0.00 0.00 178.00 179.55 1j2t h ALA 161 N 1.61 0.82 -0.28 -0.75 0.00 -2.00 -1.45 119.26 117.22 1j2t h ALA 161 Ca 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1j2t h ALA 161 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1j2t h ALA 161 CO -0.32 0.41 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 1j2t h VAL 162 N 0.88 1.28 -0.82 0.00 2.07 -1.49 -2.29 116.25 115.88 1j2t h VAL 162 Ca 0.21 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1j2t h VAL 162 Cb 0.16 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1j2t h VAL 162 CO -0.02 0.34 0.49 0.40 0.02 0.00 0.00 177.57 178.79 1j2t h ILE 163 N 0.29 0.98 -0.45 4.57 1.08 -0.95 -1.06 117.51 121.97 1j2t h ILE 163 Ca 0.07 -0.30 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1j2t h ILE 163 Cb 0.52 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 1j2t h ILE 163 CO 0.02 0.16 -0.02 -0.61 -0.69 0.00 0.00 178.15 177.01 1j2t h GLN 164 N 0.86 0.76 -0.70 2.37 5.75 -1.14 0.18 115.11 123.20 1j2t h GLN 164 Ca 0.37 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1j2t h GLN 164 Cb 0.25 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1j2t h GLN 164 CO -0.20 0.79 0.34 1.96 -2.65 0.00 0.00 178.83 179.06 1j2t h GLN 165 N 0.71 0.99 0.21 1.69 4.20 -0.63 -2.99 115.11 119.28 1j2t h GLN 165 Ca 0.14 -0.13 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1j2t h GLN 165 Cb 0.47 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 28.08 1j2t h GLN 165 CO 0.02 0.76 -1.54 -0.07 -0.67 0.00 0.00 178.83 177.33 1j2t h LEU 166 N 0.99 0.69 -6.57 1.46 3.38 -0.94 -3.41 115.31 110.90 1j2t h LEU 166 Ca 0.24 -0.83 -0.60 0.00 0.09 0.00 0.00 57.88 56.78 1j2t h LEU 166 Cb 0.09 -0.22 -0.41 0.00 0.09 0.00 0.00 40.66 40.21 1j2t h LEU 166 CO -0.03 1.67 -0.75 -1.22 0.09 0.00 0.00 178.44 178.20 1j2t n TYR 167 N -3.63 1.82 0.27 1.13 4.02 0.58 -4.96 117.16 116.38 1j2t n TYR 167 Ca -0.18 -3.93 0.11 0.00 -0.01 0.00 0.00 57.90 53.89 1j2t n TYR 167 Cb 1.08 -0.35 0.73 0.00 -0.02 0.00 0.00 39.34 40.79 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 5.00 0.00 -0.27 -0.72 0.13 -1.76 -0.58 132.00 133.79 1j2t h PRO 168 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1j2t h PRO 168 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1j2t h PRO 168 CO 0.62 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 1j2t n GLU 169 N -4.01 2.00 0.00 0.86 1.02 -1.26 -5.01 120.64 114.24 1j2t n GLU 169 Ca -0.03 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 1j2t n GLU 169 Cb 0.16 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1j2t n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2t n GLY 170 N 1.25 3.26 3.70 0.62 0.00 -0.23 -5.04 105.19 108.76 1j2t n GLY 170 Ca 0.17 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1j2t n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2t s PHE 171 N -1.77 3.54 -1.12 1.61 5.36 -1.26 -4.86 117.98 119.48 1j2t s PHE 171 Ca 0.00 1.56 0.13 0.00 -0.96 0.00 0.00 56.93 57.66 1j2t s PHE 171 Cb 0.00 -3.22 0.39 0.00 -0.34 0.00 0.00 43.02 39.85 1j2t s PHE 171 CO 0.00 -0.41 1.32 1.47 -1.46 0.00 0.00 175.22 176.14 1j2t n LEU 172 N 4.26 3.19 0.00 6.12 -0.00 -1.26 -5.07 117.00 124.24 1j2t n LEU 172 Ca 0.08 -2.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.06 1j2t n LEU 172 Cb 0.49 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1j2t n LEU 172 CO 0.53 0.78 0.00 0.61 -0.00 0.00 0.00 177.39 179.31 1j2t n GLY 173 N 0.73 2.35 0.25 1.47 0.00 -1.26 -4.47 105.19 104.26 1j2t n GLY 173 Ca 0.15 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.09 1.61 -0.00 -1.98 -2.76 115.95 112.74 1j2t h TRP 174 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 1j2t h TRP 174 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1j2t h TRP 174 CO 0.00 0.00 -0.25 0.38 -0.00 0.00 0.00 178.44 178.57 1j2t h ASP 175 N 0.00 0.37 0.89 -3.49 -0.00 -1.87 -3.15 116.42 109.17 1j2t h ASP 175 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.03 56.43 1j2t h ASP 175 Cb 0.50 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1j2t h ASP 175 CO 0.00 0.91 0.00 0.40 -0.00 0.00 0.00 179.24 180.55 1j2t h ILE 176 N -0.14 0.00 -0.82 4.15 1.08 -1.68 -3.33 117.51 116.77 1j2t h ILE 176 Ca -0.01 -0.37 -0.61 0.00 -0.39 0.00 0.00 64.86 63.49 1j2t h ILE 176 Cb 0.87 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.78 1j2t h ILE 176 CO 0.05 0.00 1.91 -0.70 -0.69 0.00 0.00 178.15 178.73 1j2t s GLU 177 N -3.49 3.67 -0.21 2.37 2.56 -1.05 -3.47 118.70 119.08 1j2t s GLU 177 Ca 0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 54.97 53.26 1j2t s GLU 177 Cb 0.09 -5.46 0.06 0.00 2.00 0.00 0.00 34.13 30.82 1j2t s GLU 177 CO 0.47 -2.57 -0.02 -1.58 -0.56 0.00 0.00 175.26 171.00 1j2t s HIS 178 N 5.58 1.84 -0.72 5.30 2.46 -1.25 -4.78 115.29 123.73 1j2t s HIS 178 Ca 0.56 -1.37 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1j2t s HIS 178 Cb 0.03 -1.36 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 1j2t s HIS 178 CO 0.07 -0.70 0.00 0.41 -2.47 0.00 0.00 174.74 172.05 1j2t n GLY 179 N 4.82 0.88 0.00 1.59 0.00 -1.26 -1.82 105.19 109.41 1j2t n GLY 179 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.82 1.86 0.28 -0.02 0.00 -1.25 -4.31 105.19 99.93 1j2t n GLY 180 Ca -0.07 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 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 1.24 0.72 1.61 2.07 -1.84 -2.23 116.25 117.82 1j2t h VAL 181 Ca 0.00 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1j2t h VAL 181 Cb 0.00 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1j2t h VAL 181 CO 0.00 0.29 -0.35 0.15 0.02 0.00 0.00 177.57 177.69 1j2t h PHE 182 N 0.89 -0.90 -0.72 1.57 3.04 -1.94 0.00 116.94 118.89 1j2t h PHE 182 Ca 0.21 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 1j2t h PHE 182 Cb 0.22 0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 1j2t h PHE 182 CO 0.01 -0.54 0.25 0.93 -2.02 0.00 0.00 178.31 176.94 1j2t h GLU 183 N -1.21 1.10 -0.42 1.11 5.08 -1.93 -2.14 114.58 116.17 1j2t h GLU 183 Ca -0.10 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 1j2t h GLU 183 Cb 0.76 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1j2t h GLU 183 CO 0.16 0.92 -0.27 1.15 -1.00 0.00 0.00 179.01 179.98 1j2t h THR 184 N 1.06 1.27 -0.63 1.13 2.02 -1.43 -1.10 112.91 115.23 1j2t h THR 184 Ca 0.24 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1j2t h THR 184 Cb 0.27 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1j2t h THR 184 CO -0.01 0.48 0.38 0.28 0.37 0.00 0.00 175.52 177.02 1j2t h SER 185 N 0.75 0.75 -0.78 4.18 0.02 -0.79 0.77 113.55 118.45 1j2t h SER 185 Ca 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1j2t h SER 185 Cb 0.85 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1j2t h SER 185 CO 0.07 0.59 0.44 -0.07 -1.14 0.00 0.00 176.83 176.73 1j2t h LEU 186 N 0.85 0.96 -0.81 5.07 3.38 -1.22 -1.86 115.31 121.68 1j2t h LEU 186 Ca 0.23 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1j2t h LEU 186 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1j2t h LEU 186 CO -0.04 0.77 -0.20 0.24 0.09 0.00 0.00 178.44 179.29 1j2t h MET 187 N 1.07 0.67 -0.44 1.13 2.86 -0.66 -0.88 114.93 118.68 1j2t h MET 187 Ca 0.28 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1j2t h MET 187 Cb 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1j2t h MET 187 CO -0.05 0.83 0.07 -0.07 1.06 0.00 0.00 176.91 178.76 1j2t h LEU 188 N 0.60 0.63 -0.12 1.22 3.38 -0.41 0.72 115.31 121.32 1j2t h LEU 188 Ca 0.09 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1j2t h LEU 188 Cb 0.67 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1j2t h LEU 188 CO 0.05 0.65 -1.00 0.00 0.09 0.00 0.00 178.44 178.23 1j2t h ALA 189 N 1.43 0.34 0.00 1.53 0.00 -1.00 -3.34 119.26 118.22 1j2t h ALA 189 Ca 0.14 -0.76 -0.39 0.00 0.00 0.00 0.00 54.91 53.90 1j2t h ALA 189 Cb 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1j2t h ALA 189 CO 0.00 0.88 -2.48 1.28 0.00 0.00 0.00 179.25 178.93 1j2t n LEU 190 N -3.67 2.91 -3.19 0.00 4.77 -0.37 -4.81 117.00 112.65 1j2t n LEU 190 Ca -0.06 -0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.62 1j2t n LEU 190 Cb 0.88 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1j2t n LEU 190 CO 0.51 0.92 -0.24 -1.22 -1.33 0.00 0.00 177.39 176.03 1j2t n TYR 191 N -3.32 0.11 -0.19 -1.77 4.01 0.25 -4.98 117.16 111.26 1j2t n TYR 191 Ca -0.47 -3.78 0.23 0.00 -0.16 0.00 0.00 57.90 53.72 1j2t n TYR 191 Cb 0.98 -0.41 0.60 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 3.14 0.21 0.00 -0.72 0.13 -1.60 -0.49 132.00 132.68 1j2t h PRO 192 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j2t h PRO 192 Cb 0.96 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1j2t h PRO 192 CO 0.50 0.14 0.00 -0.44 -0.23 0.00 0.00 178.00 177.97 1j2t h ASP 193 N 0.22 0.00 -0.30 1.44 3.45 -1.93 -2.31 116.42 116.99 1j2t h ASP 193 Ca 0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.89 1j2t h ASP 193 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1j2t h ASP 193 CO -0.10 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.75 1j2t n LEU 194 N -2.63 2.88 -4.12 1.55 4.77 -0.19 -4.86 117.00 114.40 1j2t n LEU 194 Ca 0.00 -1.22 -0.25 0.00 -0.03 0.00 0.00 56.01 54.52 1j2t n LEU 194 Cb 0.18 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1j2t n LEU 194 CO 0.20 0.61 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.69 1j2t s VAL 195 N -1.61 1.29 -0.48 4.08 1.01 -0.87 -3.00 120.40 120.81 1j2t s VAL 195 Ca 0.36 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1j2t s VAL 195 Cb 0.21 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.62 1j2t s VAL 195 CO 0.30 0.37 0.25 -0.62 0.00 0.00 0.00 175.10 175.40 1j2t s ASP 196 N -0.04 4.01 0.54 3.32 -1.08 0.45 -4.96 116.67 118.91 1j2t s ASP 196 Ca -0.01 -2.84 0.27 0.00 -0.52 0.00 0.00 52.55 49.45 1j2t s ASP 196 Cb -0.10 -1.36 1.44 0.00 -1.46 0.00 0.00 42.92 41.44 1j2t s ASP 196 CO 0.01 -0.25 1.97 0.25 0.52 0.00 0.00 175.17 177.67 1j2t h LEU 197 N 6.61 0.00 -2.34 -1.34 5.85 -1.96 0.69 115.31 122.83 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 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1j2t h LEU 197 CO 0.59 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.13 1j2t h ASP 198 N 0.00 0.00 0.16 1.25 3.32 -1.95 -2.16 116.42 117.04 1j2t h ASP 198 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1j2t h ASP 198 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1j2t h ASP 198 CO -0.00 0.00 -0.23 0.54 -1.72 0.00 0.00 179.24 177.83 1j2t n ARG 199 N -3.03 1.05 -1.73 3.56 1.74 0.24 -4.93 116.66 113.56 1j2t n ARG 199 Ca -0.02 -0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 55.98 1j2t n ARG 199 Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1j2t n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1j2t n VAL 200 N -0.40 0.90 -3.58 1.55 0.31 -0.82 -4.44 118.33 111.86 1j2t n VAL 200 Ca 0.13 -0.23 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 1j2t n VAL 200 Cb 0.37 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 1j2t n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1j2t s VAL 201 N 0.10 5.30 -1.33 2.52 1.01 -1.26 -5.02 120.40 121.72 1j2t s VAL 201 Ca 0.66 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 1j2t s VAL 201 Cb -0.53 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.40 1j2t s VAL 201 CO 0.47 0.19 2.03 -0.67 0.00 0.00 0.00 175.10 177.12 1j2t n ASP 202 N 5.07 5.19 -4.92 3.32 2.03 -1.26 -4.74 116.55 121.23 1j2t n ASP 202 Ca -0.14 -3.04 -0.26 0.00 0.52 0.00 0.00 54.79 51.87 1j2t n ASP 202 Cb 0.51 -1.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.88 3.53 0.72 -0.67 -3.43 -1.26 -5.02 115.29 110.02 1j2t s HIS 203 Ca 0.43 0.57 -0.14 0.00 -0.80 0.00 0.00 55.06 55.12 1j2t s HIS 203 Cb 0.12 -2.08 0.03 0.00 -1.43 0.00 0.00 32.58 29.21 1j2t s HIS 203 CO -0.02 -0.05 1.13 -1.25 -2.00 0.00 0.00 174.74 172.54 1j2t s PRO 204 N -4.46 2.42 0.29 -0.38 0.04 -1.26 -4.07 135.00 127.58 1j2t s PRO 204 Ca 0.43 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1j2t s PRO 204 Cb -0.10 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1j2t s PRO 204 CO 0.40 -1.55 1.45 -2.30 0.04 0.00 0.00 177.00 175.04 1j2t n PRO 205 N -2.87 2.34 -1.87 0.56 -0.02 -1.26 -4.83 135.00 127.06 1j2t n PRO 205 Ca 0.11 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 1j2t n PRO 205 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 -0.36 3.45 0.12 3.55 0.00 0.21 -5.02 121.76 123.70 1j2t s ALA 206 Ca 0.63 1.47 0.08 0.00 0.00 0.00 0.00 51.96 54.14 1j2t s ALA 206 Cb -0.56 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1j2t s ALA 206 CO 0.53 -1.02 -0.19 0.95 0.00 0.00 0.00 175.76 176.03 1j2t s THR 207 N -1.16 1.65 0.03 0.00 -4.23 -1.26 -5.04 115.64 105.64 1j2t s THR 207 Ca 0.55 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1j2t s THR 207 Cb -0.44 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1j2t s THR 207 CO 0.59 -0.17 0.01 -0.36 -0.54 0.00 0.00 174.62 174.15 1j2t s PHE 208 N -1.47 0.30 0.99 3.99 0.40 -1.26 -5.05 117.98 115.88 1j2t s PHE 208 Ca 0.08 -0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 55.65 1j2t s PHE 208 Cb -0.09 -0.22 0.18 0.00 0.51 0.00 0.00 43.02 43.41 1j2t s PHE 208 CO 0.05 -0.29 1.09 -1.25 0.70 0.00 0.00 175.22 175.51 1j2t s PRO 209 N -2.38 0.49 -0.02 0.24 0.04 -1.26 -4.88 135.00 127.22 1j2t s PRO 209 Ca -0.07 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 1j2t s PRO 209 Cb -0.03 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 1j2t s PRO 209 CO -0.04 -2.72 2.50 -0.35 0.04 0.00 0.00 177.00 176.43 1j2t n PRO 210 N -4.19 1.36 -3.81 0.56 -0.05 -1.26 -4.77 135.00 122.84 1j2t n PRO 210 Ca 0.06 -0.41 -0.08 0.00 -0.05 0.00 0.00 63.50 63.01 1j2t n PRO 210 Cb 0.56 -1.35 -0.03 0.00 -0.05 0.00 0.00 33.50 32.64 1j2t n PRO 210 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1j2t s TYR 211 N 0.19 -0.13 0.12 0.54 -0.85 -1.26 -5.17 117.35 110.78 1j2t s TYR 211 Ca 0.22 -0.26 0.10 0.00 -0.52 0.00 0.00 57.07 56.62 1j2t s TYR 211 Cb 0.11 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1j2t s TYR 211 CO -0.00 -1.10 -0.26 -0.51 -1.52 0.00 0.00 175.55 172.16 1j2t s ASP 212 N -2.91 3.19 -0.06 -0.18 1.11 -1.26 -5.08 116.67 111.47 1j2t s ASP 212 Ca 0.11 -0.72 0.04 0.00 0.18 0.00 0.00 52.55 52.17 1j2t s ASP 212 Cb -0.04 -0.22 -0.00 0.00 1.07 0.00 0.00 42.92 43.73 1j2t s ASP 212 CO 0.03 0.17 -0.20 -0.69 1.18 0.00 0.00 175.17 175.67 1j2t s VAL 213 N -1.04 1.67 0.03 -1.27 1.01 -1.26 -5.13 120.40 114.41 1j2t s VAL 213 Ca 0.13 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1j2t s VAL 213 Cb -0.10 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1j2t s VAL 213 CO 0.05 0.47 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 1j2t s PHE 214 N 0.14 1.37 0.62 5.22 0.08 -1.26 -3.70 117.98 120.45 1j2t s PHE 214 Ca -0.08 -0.33 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 1j2t s PHE 214 Cb -0.14 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 1j2t s PHE 214 CO 0.04 0.03 1.32 -2.14 -0.10 0.00 0.00 175.22 174.37 1j2t s PRO 215 N -0.92 2.73 0.20 0.24 0.02 -1.26 -5.06 135.00 130.96 1j2t s PRO 215 Ca 0.04 2.13 -0.33 0.00 0.02 0.00 0.00 61.00 62.86 1j2t s PRO 215 Cb -0.07 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 1j2t s PRO 215 CO 0.01 -1.48 1.58 1.55 -0.33 0.00 0.00 177.00 178.34 1j2t n VAL 216 N -1.63 0.27 -3.28 3.83 3.14 -1.24 -4.94 118.33 114.47 1j2t n VAL 216 Ca 0.14 -0.07 -0.43 0.00 -2.96 0.00 0.00 64.34 61.02 1j2t n VAL 216 Cb 0.47 -1.67 -0.08 0.00 -1.06 0.00 0.00 33.84 31.50 1j2t n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j2t s ASP 217 N 0.82 6.20 0.56 6.55 3.68 -1.26 -4.97 116.67 128.26 1j2t s ASP 217 Ca 0.75 -0.76 0.26 0.00 2.13 0.00 0.00 52.55 54.92 1j2t s ASP 217 Cb -0.62 -2.24 1.54 0.00 -1.45 0.00 0.00 42.92 40.16 1j2t s ASP 217 CO 0.40 -0.66 2.09 -0.65 0.13 0.00 0.00 175.17 176.48 1j2t h PRO 218 N 8.79 0.00 0.00 4.34 0.11 -1.95 -1.67 132.00 141.61 1j2t h PRO 218 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1j2t h PRO 218 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j2t h PRO 218 CO 0.84 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.59 1j2t h ALA 219 N 1.81 1.29 -0.01 -0.75 0.00 -2.00 -2.37 119.26 117.23 1j2t h ALA 219 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j2t h ALA 219 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j2t h ALA 219 CO -0.00 0.05 -0.08 0.54 0.00 0.00 0.00 179.25 179.75 1j2t n ARG 220 N -3.55 0.96 -4.35 0.00 1.74 -0.63 -4.75 116.66 106.08 1j2t n ARG 220 Ca -0.02 -0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 56.33 1j2t n ARG 220 Cb 0.14 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.30 4.36 0.26 0.55 2.01 -0.89 -4.92 115.64 114.71 1j2t s THR 221 Ca 0.33 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1j2t s THR 221 Cb 0.20 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.74 1j2t s THR 221 CO 0.43 0.60 1.35 -2.65 -0.69 0.00 0.00 174.62 173.67 1j2t n PRO 222 N 2.16 1.98 -0.28 4.92 -0.02 -1.26 -4.87 135.00 137.62 1j2t n PRO 222 Ca -0.19 0.70 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1j2t n PRO 222 Cb 0.54 -2.32 0.24 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.73 1.14 0.00 3.55 0.00 -1.90 0.10 119.26 125.88 1j2t h ALA 223 Ca -0.45 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j2t h ALA 223 Cb 1.28 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1j2t h ALA 223 CO 0.72 -0.41 0.00 -0.35 0.00 0.00 0.00 179.25 179.21 1j2t n PRO 224 N -5.20 0.16 0.00 0.00 -0.04 -1.26 -4.88 135.00 123.78 1j2t n PRO 224 Ca 0.18 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1j2t n PRO 224 Cb 0.59 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1j2t n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j2t n GLY 225 N -0.66 2.09 3.82 0.55 0.00 0.36 -3.77 105.19 107.58 1j2t n GLY 225 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j2t n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2t s THR 226 N -2.44 4.28 -0.48 2.61 -4.23 -1.26 -4.38 115.64 109.75 1j2t s THR 226 Ca 0.00 1.34 0.22 0.00 -1.18 0.00 0.00 61.69 62.08 1j2t s THR 226 Cb 0.00 -3.59 -0.18 0.00 1.34 0.00 0.00 72.50 70.07 1j2t s THR 226 CO 0.00 -0.38 0.86 0.18 -0.54 0.00 0.00 174.62 174.74 1j2t n LEU 227 N -0.94 0.53 -3.66 4.79 4.77 -0.76 -4.41 117.00 117.33 1j2t n LEU 227 Ca 0.07 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1j2t n LEU 227 Cb 0.54 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1j2t n LEU 227 CO 0.40 0.04 0.15 -0.94 -1.33 0.00 0.00 177.39 175.71 1j2t s SER 228 N -4.06 -0.27 0.15 -1.43 1.04 -1.23 -0.62 113.70 107.28 1j2t s SER 228 Ca 0.01 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1j2t s SER 228 Cb 0.14 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 1j2t s SER 228 CO 0.84 -0.70 1.07 -0.55 0.98 0.00 0.00 173.24 174.88 1j2t s SER 229 N -2.18 7.31 -0.13 7.02 0.15 -1.26 -3.80 113.70 120.81 1j2t s SER 229 Ca -0.03 2.01 0.14 0.00 0.70 0.00 0.00 55.95 58.76 1j2t s SER 229 Cb -0.00 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.34 1j2t s SER 229 CO -0.04 -0.21 1.50 0.00 1.20 0.00 0.00 173.24 175.69 1j2t n ALA 230 N 2.62 3.24 -0.30 5.45 0.00 -1.26 -3.77 120.51 126.50 1j2t n ALA 230 Ca 0.03 -1.41 0.12 0.00 0.00 0.00 0.00 53.44 52.19 1j2t n ALA 230 Cb 0.47 -1.06 0.29 0.00 0.00 0.00 0.00 19.45 19.15 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 3.37 0.28 -0.66 0.00 3.64 -1.92 0.80 116.57 122.08 1j2t h LYS 231 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j2t h LYS 231 Cb 1.43 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1j2t h LYS 231 CO 0.28 0.18 0.00 0.25 -2.27 0.00 0.00 179.45 177.89 1j2t n THR 232 N -5.15 1.58 -2.14 1.00 -2.24 -1.26 -4.94 114.28 101.13 1j2t n THR 232 Ca 0.21 -0.89 -0.36 0.00 -2.27 0.00 0.00 64.05 60.73 1j2t n THR 232 Cb 0.65 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.97 2.76 0.01 6.98 0.00 0.27 -5.03 121.76 124.79 1j2t s ALA 233 Ca 0.37 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 1j2t s ALA 233 Cb 0.26 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1j2t s ALA 233 CO 0.15 -0.91 0.46 -1.54 0.00 0.00 0.00 175.76 173.91 1j2t s SER 234 N -1.49 -0.36 0.28 0.00 1.04 -1.26 -4.93 113.70 106.98 1j2t s SER 234 Ca 0.71 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1j2t s SER 234 Cb -0.29 0.43 0.51 0.00 0.10 0.00 0.00 66.02 66.76 1j2t s SER 234 CO 0.34 -0.60 1.87 -0.09 0.98 0.00 0.00 173.24 175.73 1j2t h ARG 235 N 3.22 1.03 -0.61 4.02 2.43 -1.86 -0.98 114.38 121.63 1j2t h ARG 235 Ca -0.30 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 1j2t h ARG 235 Cb 1.18 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1j2t h ARG 235 CO 0.41 0.68 0.26 0.93 -1.51 0.00 0.00 179.97 180.74 1j2t h GLU 236 N 1.06 0.91 -0.71 0.20 3.07 -1.96 -0.28 114.58 116.87 1j2t h GLU 236 Ca 0.45 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1j2t h GLU 236 Cb 0.33 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1j2t h GLU 236 CO -0.21 0.77 0.31 0.87 -1.40 0.00 0.00 179.01 179.35 1j2t h LYS 237 N 0.85 1.03 -0.64 2.33 1.57 -1.69 -2.39 116.57 117.64 1j2t h LYS 237 Ca 0.21 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1j2t h LYS 237 Cb 0.19 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1j2t h LYS 237 CO -0.02 0.82 0.28 0.78 -0.57 0.00 0.00 179.45 180.74 1j2t h GLY 238 N 1.08 1.01 1.15 3.86 0.00 -0.23 -0.97 103.07 108.97 1j2t h GLY 238 Ca 0.24 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1j2t h GLY 238 CO -0.03 0.49 0.32 0.83 0.00 0.00 0.00 176.54 178.16 1j2t h GLU 239 N 0.89 1.09 -0.25 4.80 5.08 -0.79 0.15 114.58 125.56 1j2t h GLU 239 Ca 0.22 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1j2t h GLU 239 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1j2t h GLU 239 CO -0.02 0.87 -0.02 1.25 -1.00 0.00 0.00 179.01 180.09 1j2t h LEU 240 N 1.08 0.45 -0.03 1.33 5.85 -1.07 -1.98 115.31 120.93 1j2t h LEU 240 Ca 0.25 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1j2t h LEU 240 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1j2t h LEU 240 CO -0.03 0.67 -0.02 0.40 -0.34 0.00 0.00 178.44 179.12 1j2t h ILE 241 N 0.21 0.93 -0.39 4.05 2.04 -0.86 -2.14 117.51 121.35 1j2t h ILE 241 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1j2t h ILE 241 Cb 0.45 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1j2t h ILE 241 CO 0.02 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.48 1j2t h LEU 242 N -0.03 -0.03 -0.59 1.44 5.85 -0.90 0.08 115.31 121.13 1j2t h LEU 242 Ca 0.02 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1j2t h LEU 242 Cb 0.06 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1j2t h LEU 242 CO -0.05 0.02 0.12 -0.08 -0.34 0.00 0.00 178.44 178.11 1j2t h GLU 243 N 0.18 0.96 -0.28 1.25 4.57 -1.21 -0.32 114.58 119.72 1j2t h GLU 243 Ca 0.19 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1j2t h GLU 243 Cb 0.24 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1j2t h GLU 243 CO -0.26 0.89 0.13 0.28 -1.18 0.00 0.00 179.01 178.87 1j2t h VAL 244 N 0.86 1.16 -0.13 0.32 2.07 -0.84 -0.65 116.25 119.04 1j2t h VAL 244 Ca 0.18 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1j2t h VAL 244 Cb 0.38 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1j2t h VAL 244 CO 0.01 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.75 1j2t h VAL 246 N -0.05 1.10 -0.20 0.00 2.07 -1.04 0.21 116.25 118.33 1j2t h VAL 246 Ca 0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1j2t h VAL 246 Cb 0.37 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1j2t h VAL 246 CO 0.01 0.10 0.08 -0.61 0.02 0.00 0.00 177.57 177.16 1j2t h GLN 247 N 0.26 0.30 -0.57 1.57 5.75 -1.10 -0.62 115.11 120.69 1j2t h GLN 247 Ca 0.08 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1j2t h GLN 247 Cb 0.04 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1j2t h GLN 247 CO -0.01 0.37 0.24 0.78 -2.65 0.00 0.00 178.83 177.55 1j2t h GLY 248 N 0.17 0.90 1.09 2.39 0.00 -1.05 -1.52 103.07 105.06 1j2t h GLY 248 Ca 0.07 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 1j2t h GLY 248 CO -0.01 0.46 -0.51 -2.22 0.00 0.00 0.00 176.54 174.26 1j2t h ILE 249 N 0.78 1.29 -0.55 2.60 2.04 -0.89 -1.05 117.51 121.73 1j2t h ILE 249 Ca 0.19 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.40 1j2t h ILE 249 Cb 0.18 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1j2t h ILE 249 CO -0.02 0.55 0.28 0.00 0.00 0.00 0.00 178.15 178.96 1j2t h ALA 250 N 0.66 0.71 -0.59 1.87 0.00 -0.99 0.37 119.26 121.28 1j2t h ALA 250 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1j2t h ALA 250 Cb 1.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1j2t h ALA 250 CO 0.11 -0.06 0.21 -0.44 0.00 0.00 0.00 179.25 179.07 1j2t h ASP 251 N 0.54 0.84 -0.49 0.00 3.32 -1.11 -1.30 116.42 118.21 1j2t h ASP 251 Ca 0.24 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1j2t h ASP 251 Cb 0.15 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1j2t h ASP 251 CO -0.17 0.80 0.21 0.00 -1.72 0.00 0.00 179.24 178.36 1j2t h ALA 252 N 1.07 0.64 -0.58 3.45 0.00 -0.61 -1.74 119.26 121.49 1j2t h ALA 252 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1j2t h ALA 252 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j2t h ALA 252 CO -0.01 0.24 0.06 0.82 0.00 0.00 0.00 179.25 180.35 1j2t h ILE 253 N 0.66 1.26 -0.82 0.00 1.08 -0.74 -0.91 117.51 118.04 1j2t h ILE 253 Ca 0.17 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1j2t h ILE 253 Cb 0.18 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1j2t h ILE 253 CO -0.02 0.38 0.52 0.03 -0.69 0.00 0.00 178.15 178.38 1j2t h ARG 254 N 0.88 1.09 -0.30 2.37 3.08 -1.04 0.50 114.38 120.97 1j2t h ARG 254 Ca 0.17 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1j2t h ARG 254 Cb 0.47 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1j2t h ARG 254 CO 0.02 0.74 -0.13 1.49 -1.07 0.00 0.00 179.97 181.02 1j2t h GLU 255 N 1.12 0.61 0.03 0.04 4.81 -0.86 -2.65 114.58 117.68 1j2t h GLU 255 Ca 0.30 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 1j2t h GLU 255 Cb -0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1j2t h GLU 255 CO -0.06 0.83 -1.04 0.93 -0.73 0.00 0.00 179.01 178.94 1j2t h GLU 256 N 0.37 0.07 -2.15 1.92 4.39 -0.81 -3.37 114.58 114.98 1j2t h GLU 256 Ca 0.07 -0.11 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 1j2t h GLU 256 Cb 0.64 0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 28.92 1j2t h GLU 256 CO 0.04 1.04 -0.73 1.19 -1.16 0.00 0.00 179.01 179.39 1j2t n PHE 257 N -3.41 2.69 -1.83 4.33 3.72 0.17 -5.09 117.46 118.05 1j2t n PHE 257 Ca -0.02 -4.00 -0.36 0.00 -0.05 0.00 0.00 57.45 53.03 1j2t n PHE 257 Cb 0.95 -0.50 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 1j2t n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2t s PRO 258 N -2.32 2.71 0.00 -1.08 0.04 -1.00 -4.62 135.00 128.73 1j2t s PRO 258 Ca 0.40 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1j2t s PRO 258 Cb 0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1j2t s PRO 258 CO -0.05 -1.41 0.44 -2.30 0.04 0.00 0.00 177.00 173.72