#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj0 s TYR 2 N 0.00 3.64 0.01 0.00 5.04 -1.26 -5.04 117.35 119.74 1pj0 s TYR 2 Ca 0.00 1.64 0.03 0.00 -2.44 0.00 0.00 57.07 56.30 1pj0 s TYR 2 Cb 0.00 -2.82 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 1pj0 s TYR 2 CO 0.00 0.22 -0.09 -0.08 -1.34 0.00 0.00 175.55 174.26 1pj0 s THR 3 N -1.64 0.69 -0.99 4.34 -1.32 -1.26 -5.02 115.64 110.44 1pj0 s THR 3 Ca 0.49 -0.62 0.27 0.00 -1.21 0.00 0.00 61.69 60.61 1pj0 s THR 3 Cb -0.17 -0.63 0.22 0.00 -1.51 0.00 0.00 72.50 70.41 1pj0 s THR 3 CO 0.22 0.02 1.85 0.35 -2.21 0.00 0.00 174.62 174.84 1pj0 n THR 4 N 2.38 0.18 -3.18 5.08 -2.24 -1.26 -4.51 114.28 110.73 1pj0 n THR 4 Ca -0.16 0.04 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1pj0 n THR 4 Cb 0.56 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1pj0 n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pj0 s PHE 5 N -3.00 -1.75 0.04 4.78 5.36 -1.26 -4.87 117.98 117.29 1pj0 s PHE 5 Ca 0.13 0.59 -0.30 0.00 -0.96 0.00 0.00 56.93 56.38 1pj0 s PHE 5 Cb 0.17 0.31 -0.08 0.00 -0.34 0.00 0.00 43.02 43.09 1pj0 s PHE 5 CO 0.49 -1.11 1.64 -1.54 -1.46 0.00 0.00 175.22 173.23 1pj0 s SER 6 N 2.26 6.63 0.00 6.13 1.04 -1.26 -4.88 113.70 123.62 1pj0 s SER 6 Ca 0.14 2.42 0.23 0.00 0.48 0.00 0.00 55.95 59.22 1pj0 s SER 6 Cb -0.06 -2.56 1.14 0.00 0.10 0.00 0.00 66.02 64.65 1pj0 s SER 6 CO -0.15 -0.88 1.77 0.00 0.98 0.00 0.00 173.24 174.96 1pj0 n GLN 7 N 5.86 0.27 -2.90 4.02 0.00 -1.26 -4.72 117.38 118.65 1pj0 n GLN 7 Ca 0.16 0.07 -0.41 0.00 0.00 0.00 0.00 57.00 56.82 1pj0 n GLN 7 Cb 0.41 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.11 1pj0 n GLN 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1pj0 s THR 8 N -2.66 4.88 -0.14 -0.39 2.01 -1.26 -5.00 115.64 113.08 1pj0 s THR 8 Ca 0.20 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.52 1pj0 s THR 8 Cb 0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1pj0 s THR 8 CO 0.37 0.02 1.49 -0.75 -0.69 0.00 0.00 174.62 175.06 1pj0 s LYS 9 N 2.21 4.11 0.15 4.92 2.20 -1.26 -4.98 119.74 127.09 1pj0 s LYS 9 Ca 0.38 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.88 1pj0 s LYS 9 Cb -0.16 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1pj0 s LYS 9 CO 0.12 -0.90 -0.11 0.54 -0.36 0.00 0.00 175.35 174.64 1pj0 s ASN 10 N 3.00 1.84 -0.63 1.43 6.03 -1.26 -5.09 114.94 120.26 1pj0 s ASN 10 Ca 0.65 -0.99 -0.24 0.00 -1.03 0.00 0.00 52.86 51.26 1pj0 s ASN 10 Cb -0.27 -0.02 0.05 0.00 -3.03 0.00 0.00 41.25 37.98 1pj0 s ASN 10 CO 0.24 -0.30 1.03 -0.62 -2.03 0.00 0.00 177.10 175.41 1pj0 s ASP 11 N -3.08 6.25 0.39 3.54 -1.08 -1.26 -4.88 116.67 116.55 1pj0 s ASP 11 Ca 0.16 -0.60 0.28 0.00 -0.52 0.00 0.00 52.55 51.87 1pj0 s ASP 11 Cb 0.01 -2.46 1.34 0.00 -1.46 0.00 0.00 42.92 40.35 1pj0 s ASP 11 CO 0.01 -1.44 1.84 1.56 0.52 0.00 0.00 175.17 177.66 1pj0 h GLN 12 N 9.56 0.00 0.00 4.34 4.20 -1.98 -1.76 115.11 129.47 1pj0 h GLN 12 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1pj0 h GLN 12 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1pj0 h GLN 12 CO 1.17 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 180.61 1pj0 n LEU 13 N -2.50 0.70 -0.55 1.46 4.77 -1.26 -3.56 117.00 116.06 1pj0 n LEU 13 Ca -0.00 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 1pj0 n LEU 13 Cb 0.14 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1pj0 n LEU 13 CO 0.17 -0.19 0.50 0.29 -1.33 0.00 0.00 177.39 176.82 1pj0 n LYS 14 N -2.16 1.29 -2.72 3.23 5.02 -0.67 -4.74 118.16 117.41 1pj0 n LYS 14 Ca 0.05 -1.47 -0.31 0.00 -2.02 0.00 0.00 58.31 54.56 1pj0 n LYS 14 Cb 0.40 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 1pj0 n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pj0 s GLU 15 N -1.01 3.89 0.77 1.97 0.41 -1.22 -5.06 118.70 118.45 1pj0 s GLU 15 Ca 0.17 0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 55.32 1pj0 s GLU 15 Cb 0.11 -2.29 0.05 0.00 -1.78 0.00 0.00 34.13 30.22 1pj0 s GLU 15 CO 0.16 -0.10 1.11 -1.25 -0.49 0.00 0.00 175.26 174.69 1pj0 s PRO 16 N -3.79 2.30 0.20 0.39 0.04 -1.26 -4.90 135.00 127.98 1pj0 s PRO 16 Ca 0.55 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1pj0 s PRO 16 Cb -0.10 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1pj0 s PRO 16 CO 0.29 -1.43 1.83 0.52 0.04 0.00 0.00 177.00 178.25 1pj0 h MET 17 N -0.95 0.74 -5.73 4.56 2.86 -1.92 -3.38 114.93 111.12 1pj0 h MET 17 Ca -0.46 -0.04 -0.48 0.00 -2.06 0.00 0.00 59.70 56.65 1pj0 h MET 17 Cb 1.28 -0.17 -0.17 0.00 0.06 0.00 0.00 31.60 32.59 1pj0 h MET 17 CO 0.62 0.49 -0.77 -0.06 1.06 0.00 0.00 176.91 178.26 1pj0 s PHE 18 N -6.12 1.69 0.00 -0.22 0.08 -1.26 -0.21 117.98 111.94 1pj0 s PHE 18 Ca -0.13 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1pj0 s PHE 18 Cb 0.15 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1pj0 s PHE 18 CO 0.76 0.29 0.00 1.19 -0.10 0.00 0.00 175.22 177.35 1pj0 n PHE 19 N 0.22 0.00 -0.92 0.36 3.72 0.70 -4.84 117.46 116.69 1pj0 n PHE 19 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1pj0 n PHE 19 Cb 0.58 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1pj0 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pj0 n GLY 20 N -0.91 0.63 3.75 1.37 0.00 -1.26 -5.01 105.19 103.75 1pj0 n GLY 20 Ca 0.00 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1pj0 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pj0 s GLN 21 N 1.50 4.39 0.44 1.61 0.74 -1.26 -4.82 119.66 122.27 1pj0 s GLN 21 Ca 0.00 2.10 -0.24 0.00 0.05 0.00 0.00 55.36 57.27 1pj0 s GLN 21 Cb 0.00 -3.15 -0.10 0.00 1.10 0.00 0.00 33.01 30.86 1pj0 s GLN 21 CO 0.00 -0.22 1.12 -2.30 -0.55 0.00 0.00 175.29 173.34 1pj0 n PRO 22 N 2.03 1.54 -1.91 1.67 -0.02 -1.26 -4.48 135.00 132.58 1pj0 n PRO 22 Ca 0.04 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1pj0 n PRO 22 Cb 0.42 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1pj0 n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj0 s VAL 23 N -1.26 2.97 0.00 -1.45 1.01 -1.25 -4.45 120.40 115.97 1pj0 s VAL 23 Ca 0.64 0.45 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1pj0 s VAL 23 Cb -0.52 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1pj0 s VAL 23 CO 0.56 -0.00 0.00 -0.46 0.00 0.00 0.00 175.10 175.20 1pj0 n ASN 24 N 5.53 0.00 -4.72 3.32 0.23 -1.26 -4.52 115.26 113.84 1pj0 n ASN 24 Ca 0.16 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.79 1pj0 n ASN 24 Cb 0.40 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.07 1pj0 n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pj0 s VAL 25 N 0.00 4.03 -0.56 3.53 1.01 -1.26 -4.93 120.40 122.22 1pj0 s VAL 25 Ca 0.00 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 1pj0 s VAL 25 Cb 0.00 -4.02 0.08 0.00 0.00 0.00 0.00 36.38 32.44 1pj0 s VAL 25 CO 0.00 0.20 0.73 0.00 0.00 0.00 0.00 175.10 176.03 1pj0 s ALA 26 N 0.43 3.34 0.10 5.51 0.00 -1.26 -4.83 121.76 125.04 1pj0 s ALA 26 Ca 0.54 -1.90 0.08 0.00 0.00 0.00 0.00 51.96 50.68 1pj0 s ALA 26 Cb -0.29 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1pj0 s ALA 26 CO 0.32 -2.28 -0.21 -0.98 0.00 0.00 0.00 175.76 172.60 1pj0 s ARG 27 N 2.98 1.17 -0.08 0.00 1.70 -1.26 -5.05 118.95 118.40 1pj0 s ARG 27 Ca 0.16 -1.15 0.16 0.00 -0.47 0.00 0.00 55.73 54.43 1pj0 s ARG 27 Cb -0.20 -1.43 0.32 0.00 -0.57 0.00 0.00 34.95 33.07 1pj0 s ARG 27 CO 0.10 0.34 1.15 0.66 -1.08 0.00 0.00 175.30 176.46 1pj0 n TYR 28 N 1.16 0.00 0.99 5.89 4.01 -1.26 -4.68 117.16 123.27 1pj0 n TYR 28 Ca -0.19 -0.74 0.11 0.00 -0.16 0.00 0.00 57.90 56.92 1pj0 n TYR 28 Cb 0.53 -0.16 0.11 0.00 -0.31 0.00 0.00 39.34 39.52 1pj0 n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pj0 n ASP 29 N -0.31 0.69 -3.56 7.72 5.75 -1.26 -4.94 116.55 120.64 1pj0 n ASP 29 Ca 0.10 -0.53 -0.11 0.00 -0.01 0.00 0.00 54.79 54.24 1pj0 n ASP 29 Cb 0.86 0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 41.45 1pj0 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pj0 s GLN 30 N -3.00 1.16 0.00 0.11 -2.07 -1.26 -5.19 119.66 109.41 1pj0 s GLN 30 Ca 0.10 -0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 52.72 1pj0 s GLN 30 Cb 0.17 0.51 0.07 0.00 -1.09 0.00 0.00 33.01 32.67 1pj0 s GLN 30 CO 0.76 -0.47 0.65 1.14 -1.32 0.00 0.00 175.29 176.05 1pj0 s GLN 31 N -3.79 1.11 0.10 9.60 0.00 -1.26 -4.90 119.66 120.51 1pj0 s GLN 31 Ca 0.02 0.06 -0.14 0.00 -0.00 0.00 0.00 55.36 55.31 1pj0 s GLN 31 Cb 0.01 0.52 -0.12 0.00 0.00 0.00 0.00 33.01 33.41 1pj0 s GLN 31 CO -0.12 -0.39 1.35 -0.22 0.00 0.00 0.00 175.29 175.91 1pj0 h LYS 32 N 2.76 0.74 -4.19 9.60 3.64 -1.85 -3.40 116.57 123.87 1pj0 h LYS 32 Ca -0.29 -0.50 -0.62 0.00 -1.27 0.00 0.00 60.65 57.97 1pj0 h LYS 32 Cb 1.18 0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 32.68 1pj0 h LYS 32 CO 0.39 1.13 -0.75 0.71 -2.27 0.00 0.00 179.45 178.66 1pj0 s TYR 33 N -4.01 2.70 0.52 1.91 2.02 -1.26 -4.99 117.35 114.25 1pj0 s TYR 33 Ca -0.11 -2.27 0.42 0.00 -0.37 0.00 0.00 57.07 54.74 1pj0 s TYR 33 Cb 0.08 -2.19 2.16 0.00 -0.40 0.00 0.00 41.96 41.62 1pj0 s TYR 33 CO 0.87 -0.89 2.28 0.38 -1.57 0.00 0.00 175.55 176.62 1pj0 h ASP 34 N 7.86 0.00 -1.00 2.29 2.03 -1.99 -2.72 116.42 122.89 1pj0 h ASP 34 Ca -0.11 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.32 1pj0 h ASP 34 Cb 1.03 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.44 1pj0 h ASP 34 CO 0.48 0.00 0.63 -0.29 -1.03 0.00 0.00 179.24 179.03 1pj0 h ILE 35 N 0.00 0.90 -0.32 4.15 6.09 -1.98 -1.20 117.51 125.15 1pj0 h ILE 35 Ca -0.00 -0.33 -0.09 0.00 -1.37 0.00 0.00 64.86 63.07 1pj0 h ILE 35 Cb 0.13 -0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.25 1pj0 h ILE 35 CO 0.00 0.18 -0.18 -0.26 -3.07 0.00 0.00 178.15 174.81 1pj0 h PHE 36 N 0.97 0.64 -0.41 2.19 0.04 -1.83 -0.41 116.94 118.13 1pj0 h PHE 36 Ca 0.51 -0.12 -0.15 0.00 2.80 0.00 0.00 57.97 61.00 1pj0 h PHE 36 Cb 0.53 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1pj0 h PHE 36 CO -0.00 0.73 -0.34 1.49 -0.60 0.00 0.00 178.31 179.59 1pj0 h GLU 37 N 0.52 0.94 -0.59 1.51 4.57 -1.47 -1.63 114.58 118.43 1pj0 h GLU 37 Ca 0.08 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1pj0 h GLU 37 Cb 0.61 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1pj0 h GLU 37 CO 0.04 1.12 0.09 0.87 -1.18 0.00 0.00 179.01 179.96 1pj0 h LYS 38 N 0.78 0.95 -0.46 1.92 1.57 -0.95 -1.26 116.57 119.12 1pj0 h LYS 38 Ca 0.08 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1pj0 h LYS 38 Cb 0.92 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1pj0 h LYS 38 CO 0.09 0.88 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.56 1pj0 h LEU 39 N 0.90 0.98 -0.25 2.94 3.38 -0.92 -0.84 115.31 121.50 1pj0 h LEU 39 Ca 0.18 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1pj0 h LEU 39 Cb 0.40 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pj0 h LEU 39 CO 0.01 1.15 0.14 0.40 0.09 0.00 0.00 178.44 180.23 1pj0 h ILE 40 N 0.82 1.12 -0.21 1.22 2.04 -0.97 -0.06 117.51 121.47 1pj0 h ILE 40 Ca 0.11 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1pj0 h ILE 40 Cb 0.79 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1pj0 h ILE 40 CO 0.07 0.12 0.03 -0.33 0.00 0.00 0.00 178.15 178.03 1pj0 h GLU 41 N 0.29 0.10 -0.33 2.37 5.08 -1.10 -1.04 114.58 119.96 1pj0 h GLU 41 Ca 0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pj0 h GLU 41 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1pj0 h GLU 41 CO -0.01 0.07 0.20 0.87 -1.00 0.00 0.00 179.01 179.13 1pj0 h LYS 42 N 0.10 0.44 -0.73 2.33 1.79 -0.92 -2.21 116.57 117.37 1pj0 h LYS 42 Ca 0.10 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1pj0 h LYS 42 Cb 0.10 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1pj0 h LYS 42 CO -0.14 0.34 0.36 0.37 -1.08 0.00 0.00 179.45 179.30 1pj0 h GLN 43 N 0.42 1.04 -0.47 3.15 5.75 -0.77 -2.14 115.11 122.10 1pj0 h GLN 43 Ca 0.12 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 1pj0 h GLN 43 Cb 0.01 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1pj0 h GLN 43 CO -0.02 0.80 -0.07 -0.07 -2.65 0.00 0.00 178.83 176.81 1pj0 h LEU 44 N 1.04 0.80 -0.91 -2.39 3.38 -0.99 -2.37 115.31 113.88 1pj0 h LEU 44 Ca 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pj0 h LEU 44 Cb 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pj0 h LEU 44 CO -0.03 0.91 0.00 0.77 0.09 0.00 0.00 178.44 180.18 1pj0 h SER 45 N 0.75 0.00 -0.09 -0.43 4.64 -0.81 -2.91 113.55 114.70 1pj0 h SER 45 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1pj0 h SER 45 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1pj0 h SER 45 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1pj0 n PHE 46 N -2.61 0.09 -1.61 4.77 3.72 -0.86 -4.98 117.46 115.99 1pj0 n PHE 46 Ca 0.02 -0.05 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 1pj0 n PHE 46 Cb 0.29 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1pj0 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pj0 n PHE 47 N 0.83 1.45 -3.80 1.38 7.35 -1.10 -4.99 117.46 118.58 1pj0 n PHE 47 Ca 0.17 0.67 -0.09 0.00 -0.76 0.00 0.00 57.45 57.43 1pj0 n PHE 47 Cb 0.48 -2.28 -0.06 0.00 0.35 0.00 0.00 39.48 37.97 1pj0 n PHE 47 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1pj0 s PHE 48 N -0.95 0.08 -0.26 -5.13 -0.12 -1.26 -5.12 117.98 105.21 1pj0 s PHE 48 Ca 0.60 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 1pj0 s PHE 48 Cb -0.69 0.07 0.05 0.00 -0.63 0.00 0.00 43.02 41.82 1pj0 s PHE 48 CO 0.59 -0.66 -0.09 1.03 -0.05 0.00 0.00 175.22 176.04 1pj0 s ARG 49 N -3.87 2.46 0.19 1.99 0.52 -1.26 -5.02 118.95 113.96 1pj0 s ARG 49 Ca 0.07 -1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 1pj0 s ARG 49 Cb 0.03 -2.92 0.13 0.00 0.52 0.00 0.00 34.95 32.71 1pj0 s ARG 49 CO -0.08 -0.51 1.59 -1.35 0.02 0.00 0.00 175.30 174.97 1pj0 h PRO 50 N 7.87 -0.15 -1.23 3.54 0.11 -1.93 -1.61 132.00 138.60 1pj0 h PRO 50 Ca -0.25 0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.23 1pj0 h PRO 50 Cb 1.07 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1pj0 h PRO 50 CO 0.51 -0.10 1.04 0.93 -0.21 0.00 0.00 178.00 180.17 1pj0 h GLU 51 N -0.16 0.00 0.00 1.05 3.07 -1.94 0.40 114.58 117.00 1pj0 h GLU 51 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1pj0 h GLU 51 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1pj0 h GLU 51 CO -0.65 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.35 1pj0 n GLU 52 N -3.78 0.02 -3.15 2.33 1.02 -0.60 -4.75 120.64 111.72 1pj0 n GLU 52 Ca 0.27 0.10 -0.39 0.00 -0.02 0.00 0.00 57.16 57.12 1pj0 n GLU 52 Cb 1.42 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 31.27 1pj0 n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pj0 s VAL 53 N -3.01 5.10 -0.17 2.62 1.01 0.14 -5.02 120.40 121.06 1pj0 s VAL 53 Ca 0.11 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 1pj0 s VAL 53 Cb 0.15 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1pj0 s VAL 53 CO 0.45 0.28 1.29 -0.62 0.00 0.00 0.00 175.10 176.50 1pj0 s ASP 54 N 0.74 6.89 -0.06 3.32 3.68 -1.26 -4.85 116.67 125.13 1pj0 s ASP 54 Ca 0.33 1.67 0.09 0.00 2.13 0.00 0.00 52.55 56.77 1pj0 s ASP 54 Cb -0.17 -2.54 0.13 0.00 -1.45 0.00 0.00 42.92 38.90 1pj0 s ASP 54 CO 0.15 -0.81 1.03 0.55 0.13 0.00 0.00 175.17 176.21 1pj0 n VAL 55 N 5.48 0.98 0.22 1.11 3.14 -1.26 -4.31 118.33 123.69 1pj0 n VAL 55 Ca 0.14 -1.16 0.06 0.00 -2.96 0.00 0.00 64.34 60.43 1pj0 n VAL 55 Cb 0.45 0.20 0.55 0.00 -1.06 0.00 0.00 33.84 33.99 1pj0 n VAL 55 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1pj0 h SER 56 N 0.00 0.04 0.47 6.55 4.64 -1.89 -2.30 113.55 121.06 1pj0 h SER 56 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pj0 h SER 56 Cb 1.08 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1pj0 h SER 56 CO 0.00 0.12 -0.29 -1.14 -0.87 0.00 0.00 176.83 174.66 1pj0 n ARG 57 N -4.43 0.37 0.11 4.77 0.63 -1.26 -3.85 116.66 113.01 1pj0 n ARG 57 Ca -0.02 -0.18 -0.02 0.00 -0.92 0.00 0.00 57.85 56.70 1pj0 n ARG 57 Cb 0.17 -1.50 0.19 0.00 0.45 0.00 0.00 32.46 31.77 1pj0 n ARG 57 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1pj0 h ASP 58 N 0.44 0.17 -0.31 6.15 5.19 -1.72 -2.80 116.42 123.53 1pj0 h ASP 58 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1pj0 h ASP 58 Cb 0.47 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1pj0 h ASP 58 CO 0.00 0.66 0.20 -0.09 -3.12 0.00 0.00 179.24 176.89 1pj0 h ARG 59 N 0.12 0.42 -0.38 3.56 2.43 -1.67 -0.69 114.38 118.17 1pj0 h ARG 59 Ca 0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1pj0 h ARG 59 Cb 0.96 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1pj0 h ARG 59 CO 0.08 0.29 0.03 0.97 -1.51 0.00 0.00 179.97 179.82 1pj0 h ILE 60 N 0.42 1.25 -0.99 1.20 6.09 -1.77 -2.37 117.51 121.34 1pj0 h ILE 60 Ca 0.11 -0.94 0.05 0.00 -1.37 0.00 0.00 64.86 62.72 1pj0 h ILE 60 Cb -0.03 1.12 -0.06 0.00 0.47 0.00 0.00 36.82 38.32 1pj0 h ILE 60 CO -0.02 0.31 0.65 0.44 -3.07 0.00 0.00 178.15 176.46 1pj0 h ASP 61 N 0.48 1.06 -0.52 2.19 3.32 -1.27 -1.92 116.42 119.76 1pj0 h ASP 61 Ca 0.11 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1pj0 h ASP 61 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1pj0 h ASP 61 CO 0.01 0.71 0.05 0.22 -1.72 0.00 0.00 179.24 178.52 1pj0 h TYR 62 N 1.22 0.95 -0.55 4.55 3.20 -0.93 -2.43 116.97 122.99 1pj0 h TYR 62 Ca 0.41 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1pj0 h TYR 62 Cb 0.06 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1pj0 h TYR 62 CO -0.00 0.87 0.10 1.96 -1.64 0.00 0.00 178.16 179.45 1pj0 h GLN 63 N 0.77 0.90 0.00 1.82 1.08 -0.95 -2.76 115.11 115.97 1pj0 h GLN 63 Ca 0.16 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1pj0 h GLN 63 Cb 0.45 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1pj0 h GLN 63 CO 0.02 0.87 -0.09 0.00 -0.95 0.00 0.00 178.83 178.67 1pj0 h ALA 64 N 1.00 1.03 -2.87 3.87 0.00 -1.31 -3.45 119.26 117.53 1pj0 h ALA 64 Ca 0.17 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1pj0 h ALA 64 Cb 0.39 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.29 1pj0 h ALA 64 CO 0.01 0.11 0.57 1.28 0.00 0.00 0.00 179.25 181.22 1pj0 n LEU 65 N -3.24 4.69 -4.74 0.00 4.77 -0.92 -4.94 117.00 112.62 1pj0 n LEU 65 Ca 0.00 1.07 -0.37 0.00 -0.03 0.00 0.00 56.01 56.69 1pj0 n LEU 65 Cb 0.34 -1.55 0.05 0.00 -2.33 0.00 0.00 43.42 39.94 1pj0 n LEU 65 CO 0.30 -0.52 0.89 -2.84 -1.33 0.00 0.00 177.39 173.89 1pj0 s PRO 66 N -2.45 2.78 0.27 3.23 0.02 -1.26 -4.68 135.00 132.91 1pj0 s PRO 66 Ca 0.64 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.66 1pj0 s PRO 66 Cb -0.47 -1.93 0.61 0.00 0.02 0.00 0.00 34.50 32.74 1pj0 s PRO 66 CO 0.56 -1.40 1.73 0.93 -0.33 0.00 0.00 177.00 178.48 1pj0 h GLU 67 N 0.79 0.47 -0.05 5.54 4.39 -1.95 0.77 114.58 124.55 1pj0 h GLU 67 Ca -0.51 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.10 1pj0 h GLU 67 Cb 1.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1pj0 h GLU 67 CO 0.54 0.31 -0.28 1.12 -1.16 0.00 0.00 179.01 179.55 1pj0 h HIS 68 N 0.49 0.09 -0.04 4.33 2.07 -1.90 -1.85 115.15 118.34 1pj0 h HIS 68 Ca 0.50 -0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 57.81 1pj0 h HIS 68 Cb 0.84 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.79 1pj0 h HIS 68 CO -0.13 0.36 -0.80 0.93 -3.07 0.00 0.00 177.93 175.22 1pj0 h GLU 69 N 0.07 0.33 -0.60 5.12 5.08 -1.25 -1.94 114.58 121.39 1pj0 h GLU 69 Ca 0.01 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1pj0 h GLU 69 Cb 0.54 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1pj0 h GLU 69 CO 0.04 0.97 0.30 0.87 -1.00 0.00 0.00 179.01 180.19 1pj0 h LYS 70 N 0.21 0.85 -0.31 2.33 1.57 -0.73 -1.02 116.57 119.47 1pj0 h LYS 70 Ca -0.04 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1pj0 h LYS 70 Cb 1.39 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1pj0 h LYS 70 CO 0.13 0.67 0.10 1.25 -0.57 0.00 0.00 179.45 181.03 1pj0 h HIS 71 N 0.81 0.17 0.06 -1.35 2.76 -1.16 0.26 115.15 116.71 1pj0 h HIS 71 Ca 0.21 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1pj0 h HIS 71 Cb 0.09 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1pj0 h HIS 71 CO -0.00 0.07 -0.03 0.82 -1.30 0.00 0.00 177.93 177.49 1pj0 h ILE 72 N 0.23 0.97 -0.08 6.26 2.04 -1.01 -0.57 117.51 125.34 1pj0 h ILE 72 Ca 0.14 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1pj0 h ILE 72 Cb 0.12 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1pj0 h ILE 72 CO -0.15 0.02 0.04 0.15 0.00 0.00 0.00 178.15 178.21 1pj0 h PHE 73 N -0.13 0.11 -0.07 1.37 3.57 -0.98 -2.31 116.94 118.51 1pj0 h PHE 73 Ca -0.01 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1pj0 h PHE 73 Cb 0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1pj0 h PHE 73 CO -0.06 0.19 -0.57 0.97 -2.23 0.00 0.00 178.31 176.60 1pj0 h ILE 74 N 0.01 1.38 -0.48 1.41 6.09 -0.94 -1.40 117.51 123.57 1pj0 h ILE 74 Ca 0.03 -1.92 -0.12 0.00 -1.37 0.00 0.00 64.86 61.48 1pj0 h ILE 74 Cb 0.12 1.96 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 1pj0 h ILE 74 CO -0.00 0.56 -0.18 0.28 -3.07 0.00 0.00 178.15 175.75 1pj0 h SER 75 N 0.16 0.95 -0.22 2.19 0.02 -1.08 -0.94 113.55 114.64 1pj0 h SER 75 Ca -0.00 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1pj0 h SER 75 Cb 1.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1pj0 h SER 75 CO 0.09 1.11 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.74 1pj0 h ASN 76 N 0.82 0.39 -0.64 3.07 -1.24 -1.28 -2.24 115.58 114.46 1pj0 h ASN 76 Ca 0.12 -0.32 0.04 0.00 0.71 0.00 0.00 56.30 56.85 1pj0 h ASN 76 Cb 0.73 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.63 1pj0 h ASN 76 CO 0.06 0.62 0.37 0.25 -1.29 0.00 0.00 177.43 177.44 1pj0 h LEU 77 N 0.15 0.58 -0.76 0.34 5.85 -1.11 -1.00 115.31 119.36 1pj0 h LEU 77 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pj0 h LEU 77 Cb 0.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1pj0 h LEU 77 CO 0.01 0.40 0.38 0.11 -0.34 0.00 0.00 178.44 179.00 1pj0 h LYS 78 N 0.72 1.09 -0.61 1.25 1.57 -1.05 -0.75 116.57 118.77 1pj0 h LYS 78 Ca 0.27 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1pj0 h LYS 78 Cb 0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1pj0 h LYS 78 CO -0.14 0.84 0.01 -0.92 -0.57 0.00 0.00 179.45 178.67 1pj0 h TYR 79 N 1.07 1.17 -0.76 -1.35 3.20 -0.88 -1.02 116.97 118.39 1pj0 h TYR 79 Ca 0.26 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1pj0 h TYR 79 Cb 0.09 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1pj0 h TYR 79 CO 0.01 1.02 0.27 1.96 -1.64 0.00 0.00 178.16 179.78 1pj0 h GLN 80 N 0.98 1.17 -0.69 1.82 4.20 -0.82 -1.72 115.11 120.05 1pj0 h GLN 80 Ca 0.18 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1pj0 h GLN 80 Cb 0.55 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1pj0 h GLN 80 CO 0.03 0.97 0.17 1.15 -0.67 0.00 0.00 178.83 180.48 1pj0 h THR 81 N 1.13 1.26 0.16 -0.54 2.02 -0.85 -1.72 112.91 114.37 1pj0 h THR 81 Ca 0.25 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1pj0 h THR 81 Cb 0.27 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1pj0 h THR 81 CO -0.01 0.37 -0.08 0.25 0.37 0.00 0.00 175.52 176.42 1pj0 h LEU 82 N 1.05 -0.18 -0.87 2.58 7.12 -0.79 -1.47 115.31 122.74 1pj0 h LEU 82 Ca 0.22 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.26 1pj0 h LEU 82 Cb 0.36 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.48 1pj0 h LEU 82 CO 0.00 -0.10 0.55 -0.07 -0.13 0.00 0.00 178.44 178.69 1pj0 h LEU 83 N -0.25 0.88 -0.84 2.25 3.38 -1.14 -1.89 115.31 117.71 1pj0 h LEU 83 Ca -0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1pj0 h LEU 83 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pj0 h LEU 83 CO 0.04 0.58 -0.37 -0.33 0.09 0.00 0.00 178.44 178.44 1pj0 h GLU 84 N 1.03 0.41 -0.34 1.13 4.39 -1.18 -0.18 114.58 119.85 1pj0 h GLU 84 Ca 0.37 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1pj0 h GLU 84 Cb 0.11 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1pj0 h GLU 84 CO -0.15 0.73 0.21 0.77 -1.16 0.00 0.00 179.01 179.40 1pj0 h SER 85 N 0.35 0.41 -0.28 1.42 0.02 -0.50 0.11 113.55 115.07 1pj0 h SER 85 Ca 0.04 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1pj0 h SER 85 Cb 0.82 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1pj0 h SER 85 CO 0.07 0.34 -0.05 0.40 -1.14 0.00 0.00 176.83 176.45 1pj0 h ILE 86 N 0.44 1.28 0.00 3.27 2.04 -1.21 -3.15 117.51 120.18 1pj0 h ILE 86 Ca 0.12 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1pj0 h ILE 86 Cb 0.01 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1pj0 h ILE 86 CO -0.02 0.34 0.00 1.56 0.00 0.00 0.00 178.15 180.02 1pj0 h GLN 87 N 0.30 0.00 0.00 2.37 1.08 -0.82 -0.43 115.11 117.61 1pj0 h GLN 87 Ca 0.07 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.10 1pj0 h GLN 87 Cb 0.52 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1pj0 h GLN 87 CO 0.02 0.00 -0.83 0.78 -0.95 0.00 0.00 178.83 177.85 1pj0 h GLY 88 N 2.32 0.08 0.00 3.46 0.00 -0.93 -3.39 103.07 104.60 1pj0 h GLY 88 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 47.33 46.93 1pj0 h GLY 88 CO 0.00 0.12 -2.00 -0.96 0.00 0.00 0.00 176.54 173.70 1pj0 n ARG 89 N -3.61 0.43 -0.23 4.80 1.85 -1.11 -4.68 116.66 114.12 1pj0 n ARG 89 Ca -0.02 0.11 -0.01 0.00 -1.00 0.00 0.00 57.85 56.93 1pj0 n ARG 89 Cb 0.79 -1.33 0.10 0.00 -1.05 0.00 0.00 32.46 30.96 1pj0 n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1pj0 h SER 90 N -0.06 0.53 -0.90 2.89 0.02 -1.27 -1.91 113.55 112.84 1pj0 h SER 90 Ca -0.40 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1pj0 h SER 90 Cb 1.59 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 64.01 1pj0 h SER 90 CO -0.08 0.34 0.59 -0.65 -1.14 0.00 0.00 176.83 175.89 1pj0 h PRO 91 N 0.66 1.06 0.23 3.45 0.11 -1.80 0.41 132.00 136.13 1pj0 h PRO 91 Ca 0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1pj0 h PRO 91 Cb 0.20 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1pj0 h PRO 91 CO -0.19 0.70 -0.11 -0.91 -0.21 0.00 0.00 178.00 177.28 1pj0 h ASN 92 N 1.10 -0.26 -0.36 -2.05 2.35 -1.73 -0.63 115.58 114.00 1pj0 h ASN 92 Ca 0.37 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1pj0 h ASN 92 Cb 0.07 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1pj0 h ASN 92 CO -0.12 0.14 -0.01 0.58 -1.65 0.00 0.00 177.43 176.36 1pj0 h VAL 93 N -0.70 1.24 0.13 2.81 2.07 -1.21 -2.44 116.25 118.15 1pj0 h VAL 93 Ca -0.03 -0.99 -0.33 0.00 0.82 0.00 0.00 66.70 66.17 1pj0 h VAL 93 Cb 0.48 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1pj0 h VAL 93 CO 0.05 0.35 -1.70 0.00 0.02 0.00 0.00 177.57 176.28 1pj0 h ALA 94 N 1.29 0.32 0.03 1.67 0.00 -0.99 -3.42 119.26 118.16 1pj0 h ALA 94 Ca 0.14 -1.21 -0.37 0.00 0.00 0.00 0.00 54.91 53.47 1pj0 h ALA 94 Cb 0.45 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1pj0 h ALA 94 CO 0.02 1.18 -2.27 1.28 0.00 0.00 0.00 179.25 179.47 1pj0 n LEU 95 N -3.46 1.93 -0.32 0.00 4.77 -0.24 -4.52 117.00 115.17 1pj0 n LEU 95 Ca -0.22 0.03 0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1pj0 n LEU 95 Cb 1.05 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 41.92 1pj0 n LEU 95 CO 0.49 0.75 1.14 -0.07 -1.33 0.00 0.00 177.39 178.36 1pj0 h LEU 96 N 0.02 0.63 0.00 2.23 4.07 -1.49 0.65 115.31 121.41 1pj0 h LEU 96 Ca -0.50 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1pj0 h LEU 96 Cb 2.03 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.76 1pj0 h LEU 96 CO -0.00 0.24 0.00 -2.65 -1.08 0.00 0.00 178.44 174.95 1pj0 n PRO 97 N -4.83 0.18 0.00 1.13 -0.02 -1.26 -3.26 135.00 126.93 1pj0 n PRO 97 Ca 0.20 0.16 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1pj0 n PRO 97 Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1pj0 n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pj0 n LEU 98 N -1.33 0.29 -4.75 2.45 4.77 0.17 -4.97 117.00 113.63 1pj0 n LEU 98 Ca 0.07 -0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 55.10 1pj0 n LEU 98 Cb 0.14 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1pj0 n LEU 98 CO 0.12 0.07 0.70 -0.63 -1.33 0.00 0.00 177.39 176.32 1pj0 s ILE 99 N -1.30 3.88 -0.00 -0.08 1.01 -0.87 -0.22 121.20 123.63 1pj0 s ILE 99 Ca 0.02 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1pj0 s ILE 99 Cb 0.03 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1pj0 s ILE 99 CO 0.16 0.45 0.91 -1.54 0.00 0.00 0.00 174.94 174.91 1pj0 n SER 100 N 1.43 1.64 -4.07 3.58 3.41 0.71 -3.91 113.62 116.41 1pj0 n SER 100 Ca -0.02 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.53 1pj0 n SER 100 Cb 0.46 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 1pj0 n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pj0 s ILE 101 N -0.83 1.12 0.25 -1.33 -4.36 -1.25 -4.62 121.20 110.18 1pj0 s ILE 101 Ca 0.00 -0.54 -0.04 0.00 -0.26 0.00 0.00 60.65 59.81 1pj0 s ILE 101 Cb 0.00 -0.98 0.22 0.00 1.25 0.00 0.00 42.46 42.95 1pj0 s ILE 101 CO 0.00 0.33 1.81 1.55 0.24 0.00 0.00 174.94 178.88 1pj0 h PRO 102 N 6.34 0.78 -0.46 0.37 0.13 -1.88 -2.50 132.00 134.78 1pj0 h PRO 102 Ca -0.33 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1pj0 h PRO 102 Cb 1.17 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1pj0 h PRO 102 CO 0.48 0.52 0.11 1.05 -0.23 0.00 0.00 178.00 179.93 1pj0 h GLU 103 N 0.80 0.69 -0.08 0.86 9.09 -1.91 -1.53 114.58 122.51 1pj0 h GLU 103 Ca 0.41 -0.13 -0.22 0.00 0.05 0.00 0.00 59.36 59.47 1pj0 h GLU 103 Cb 0.38 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1pj0 h GLU 103 CO -0.25 0.63 -0.83 1.25 0.05 0.00 0.00 179.01 179.86 1pj0 h LEU 104 N 0.67 0.70 -0.05 3.06 5.85 -1.87 -1.09 115.31 122.58 1pj0 h LEU 104 Ca 0.15 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1pj0 h LEU 104 Cb 0.26 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1pj0 h LEU 104 CO -0.00 1.27 0.01 -0.08 -0.34 0.00 0.00 178.44 179.30 1pj0 h GLU 105 N 0.37 0.03 -0.17 1.25 4.81 -1.03 -0.28 114.58 119.56 1pj0 h GLU 105 Ca -0.06 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1pj0 h GLU 105 Cb 1.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1pj0 h GLU 105 CO 0.16 0.02 -0.52 1.15 -0.73 0.00 0.00 179.01 179.09 1pj0 h THR 106 N 0.03 1.33 -0.56 0.32 2.02 -1.33 -2.52 112.91 112.20 1pj0 h THR 106 Ca 0.02 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.44 1pj0 h THR 106 Cb 0.02 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1pj0 h THR 106 CO -0.03 0.54 0.34 -0.25 0.37 0.00 0.00 175.52 176.50 1pj0 h TRP 107 N 0.37 0.72 -0.80 3.16 -0.00 -0.87 0.06 115.95 118.59 1pj0 h TRP 107 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1pj0 h TRP 107 Cb 1.03 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 29.91 1pj0 h TRP 107 CO 0.04 0.49 0.53 0.28 -0.00 0.00 0.00 178.44 179.77 1pj0 h VAL 108 N 0.75 1.20 -0.21 2.65 2.07 -0.87 0.27 116.25 122.11 1pj0 h VAL 108 Ca 0.20 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1pj0 h VAL 108 Cb -0.03 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1pj0 h VAL 108 CO -0.04 0.20 -0.33 -0.33 0.02 0.00 0.00 177.57 177.09 1pj0 h GLU 109 N 1.08 0.44 -0.23 1.57 5.08 -1.02 -0.34 114.58 121.15 1pj0 h GLU 109 Ca 0.30 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 1pj0 h GLU 109 Cb -0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1pj0 h GLU 109 CO -0.07 0.72 -0.43 1.15 -1.00 0.00 0.00 179.01 179.38 1pj0 h THR 110 N 0.38 1.31 0.13 1.13 2.02 -0.35 -0.46 112.91 117.06 1pj0 h THR 110 Ca 0.05 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1pj0 h THR 110 Cb 0.76 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1pj0 h THR 110 CO 0.06 0.52 -0.06 -0.25 0.37 0.00 0.00 175.52 176.15 1pj0 h TRP 111 N 0.42 -0.16 -0.64 3.16 7.01 -0.33 -0.80 115.95 124.60 1pj0 h TRP 111 Ca 0.01 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.03 1pj0 h TRP 111 Cb 1.03 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.11 1pj0 h TRP 111 CO 0.08 -0.10 0.41 0.00 -2.79 0.00 0.00 178.44 176.05 1pj0 h ALA 112 N 0.69 0.83 -0.44 2.65 0.00 -1.04 -2.11 119.26 119.84 1pj0 h ALA 112 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1pj0 h ALA 112 Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pj0 h ALA 112 CO 0.03 0.20 0.23 0.35 0.00 0.00 0.00 179.25 180.06 1pj0 h PHE 113 N 0.82 0.43 -0.07 0.00 3.57 -0.79 -1.31 116.94 119.60 1pj0 h PHE 113 Ca 0.25 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1pj0 h PHE 113 Cb -0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1pj0 h PHE 113 CO -0.04 0.23 -0.06 0.66 -2.23 0.00 0.00 178.31 176.86 1pj0 h SER 114 N 0.46 0.08 -0.01 0.41 4.64 -0.66 -0.90 113.55 117.58 1pj0 h SER 114 Ca 0.19 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1pj0 h SER 114 Cb 0.07 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1pj0 h SER 114 CO -0.12 0.16 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.33 1pj0 h GLU 115 N 0.09 0.48 0.00 4.77 4.39 -0.61 -1.91 114.58 121.79 1pj0 h GLU 115 Ca 0.02 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1pj0 h GLU 115 Cb 0.18 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1pj0 h GLU 115 CO 0.01 0.76 -0.32 1.79 -1.16 0.00 0.00 179.01 180.10 1pj0 h THR 116 N 0.41 1.16 -0.36 1.13 1.35 -0.47 -0.70 112.91 115.44 1pj0 h THR 116 Ca 0.05 -1.11 -0.15 0.00 -0.55 0.00 0.00 66.41 64.65 1pj0 h THR 116 Cb 0.80 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1pj0 h THR 116 CO 0.06 0.31 -0.38 0.40 -0.25 0.00 0.00 175.52 175.67 1pj0 h ILE 117 N 0.00 1.28 -0.88 6.82 1.08 -0.88 -1.30 117.51 123.64 1pj0 h ILE 117 Ca -0.00 -1.55 -0.02 0.00 -0.39 0.00 0.00 64.86 62.89 1pj0 h ILE 117 Cb 0.58 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1pj0 h ILE 117 CO 0.04 0.51 0.46 0.45 -0.69 0.00 0.00 178.15 178.92 1pj0 h HIS 118 N 0.70 1.23 -0.55 1.37 3.86 -0.57 0.86 115.15 122.05 1pj0 h HIS 118 Ca 0.06 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1pj0 h HIS 118 Cb 0.95 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1pj0 h HIS 118 CO 0.06 0.87 0.26 0.77 0.86 0.00 0.00 177.93 180.74 1pj0 h SER 119 N 1.24 0.73 -0.35 2.45 0.02 -0.86 -1.23 113.55 115.55 1pj0 h SER 119 Ca 0.31 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1pj0 h SER 119 Cb 0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1pj0 h SER 119 CO -0.04 0.66 0.09 0.03 -1.14 0.00 0.00 176.83 176.43 1pj0 h ARG 120 N 0.75 0.64 -0.27 3.45 3.08 -0.57 -2.14 114.38 119.31 1pj0 h ARG 120 Ca 0.19 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1pj0 h ARG 120 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1pj0 h ARG 120 CO -0.02 0.59 0.16 0.77 -1.07 0.00 0.00 179.97 180.40 1pj0 h SER 121 N 0.62 0.33 -0.24 7.04 0.02 0.00 -1.93 113.55 119.40 1pj0 h SER 121 Ca 0.14 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1pj0 h SER 121 Cb 0.25 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1pj0 h SER 121 CO -0.00 0.29 0.03 1.88 -1.14 0.00 0.00 176.83 177.90 1pj0 h TYR 122 N 0.34 0.51 -0.39 3.45 0.05 -0.78 -1.19 116.97 118.96 1pj0 h TYR 122 Ca 0.10 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1pj0 h TYR 122 Cb 0.02 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1pj0 h TYR 122 CO -0.04 0.49 0.16 1.15 -1.05 0.00 0.00 178.16 178.86 1pj0 h THR 123 N 0.49 1.20 -0.52 -2.88 2.02 -1.05 0.20 112.91 112.36 1pj0 h THR 123 Ca 0.11 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.75 1pj0 h THR 123 Cb 0.27 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1pj0 h THR 123 CO 0.00 0.22 0.22 -0.74 0.37 0.00 0.00 175.52 175.59 1pj0 h HIS 124 N 0.49 0.39 0.38 3.16 -0.00 -0.56 0.01 115.15 119.03 1pj0 h HIS 124 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1pj0 h HIS 124 Cb 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1pj0 h HIS 124 CO -0.00 0.15 -0.18 0.82 -0.00 0.00 0.00 177.93 178.72 1pj0 h ILE 125 N 0.42 0.60 -0.52 6.26 2.04 -0.97 -2.85 117.51 122.50 1pj0 h ILE 125 Ca 0.24 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1pj0 h ILE 125 Cb 0.22 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1pj0 h ILE 125 CO -0.22 0.07 0.07 0.40 0.00 0.00 0.00 178.15 178.48 1pj0 h ILE 126 N -0.75 0.67 0.00 -0.67 2.04 -0.72 -0.67 117.51 117.41 1pj0 h ILE 126 Ca -0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1pj0 h ILE 126 Cb 0.52 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1pj0 h ILE 126 CO 0.09 0.04 -0.06 0.03 0.00 0.00 0.00 178.15 178.24 1pj0 h ARG 127 N 0.20 0.00 -0.22 2.37 3.08 -1.01 -2.64 114.38 116.16 1pj0 h ARG 127 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1pj0 h ARG 127 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1pj0 h ARG 127 CO -0.37 0.06 0.00 0.09 -1.07 0.00 0.00 179.97 178.68 1pj0 n ASN 128 N -3.77 2.71 0.00 7.04 4.13 -0.29 -4.43 115.26 120.65 1pj0 n ASN 128 Ca -0.02 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.36 1pj0 n ASN 128 Cb 0.16 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 1pj0 n ASN 128 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1pj0 n ILE 129 N 1.03 0.00 -4.27 2.41 -5.35 -1.01 -3.74 119.36 108.43 1pj0 n ILE 129 Ca 0.17 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.29 1pj0 n ILE 129 Cb 0.51 0.73 -0.10 0.00 -1.74 0.00 0.00 39.64 39.04 1pj0 n ILE 129 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1pj0 s VAL 130 N -1.05 1.19 -0.29 7.28 -7.23 -1.08 -4.78 120.40 114.44 1pj0 s VAL 130 Ca 0.00 -2.07 -0.16 0.00 -1.81 0.00 0.00 61.98 57.94 1pj0 s VAL 130 Cb 0.00 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1pj0 s VAL 130 CO 0.00 -0.66 0.43 0.20 -0.31 0.00 0.00 175.10 174.76 1pj0 s ASN 131 N -3.20 6.30 -0.09 4.85 0.02 -1.26 -4.59 114.94 116.96 1pj0 s ASN 131 Ca 0.19 0.21 -0.01 0.00 -1.02 0.00 0.00 52.86 52.23 1pj0 s ASN 131 Cb 0.03 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 39.06 1pj0 s ASN 131 CO 0.02 -0.28 0.05 -0.67 0.02 0.00 0.00 177.10 176.24 1pj0 n ASP 132 N 5.47 -3.53 0.31 -1.22 4.64 -1.26 -4.90 116.55 116.06 1pj0 n ASP 132 Ca -0.07 0.29 0.18 0.00 -1.38 0.00 0.00 54.79 53.82 1pj0 n ASP 132 Cb 0.50 -2.11 1.02 0.00 -1.04 0.00 0.00 41.12 39.49 1pj0 n ASP 132 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1pj0 h PRO 133 N 0.69 0.00 -0.91 -0.67 0.11 -1.88 -2.90 132.00 126.44 1pj0 h PRO 133 Ca 0.00 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 1pj0 h PRO 133 Cb 0.08 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.12 1pj0 h PRO 133 CO 0.03 0.02 0.58 0.77 -0.21 0.00 0.00 178.00 179.19 1pj0 h SER 134 N 0.00 0.70 -0.36 -2.05 0.02 -1.99 -0.57 113.55 109.31 1pj0 h SER 134 Ca -0.00 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1pj0 h SER 134 Cb 0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1pj0 h SER 134 CO 0.00 0.36 0.18 0.58 -1.14 0.00 0.00 176.83 176.81 1pj0 h VAL 135 N 0.74 0.98 0.04 2.27 2.07 -1.86 -1.58 116.25 118.92 1pj0 h VAL 135 Ca 0.45 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 1pj0 h VAL 135 Cb 0.67 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1pj0 h VAL 135 CO -0.21 0.07 -0.02 0.58 0.02 0.00 0.00 177.57 178.00 1pj0 h VAL 136 N 0.37 1.12 -0.75 2.57 2.07 -1.33 -2.85 116.25 117.44 1pj0 h VAL 136 Ca 0.15 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1pj0 h VAL 136 Cb 0.06 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1pj0 h VAL 136 CO -0.10 0.13 0.43 -0.26 0.02 0.00 0.00 177.57 177.79 1pj0 h PHE 137 N -0.29 1.00 -0.48 1.57 0.04 -1.17 -2.70 116.94 114.91 1pj0 h PHE 137 Ca -0.01 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1pj0 h PHE 137 Cb 0.26 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1pj0 h PHE 137 CO 0.00 0.69 0.06 -0.44 -0.60 0.00 0.00 178.31 178.02 1pj0 h ASP 138 N 1.03 0.72 0.31 2.17 3.32 -1.33 -2.49 116.42 120.14 1pj0 h ASP 138 Ca 0.27 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1pj0 h ASP 138 Cb -0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1pj0 h ASP 138 CO -0.05 0.75 -0.09 -0.78 -1.72 0.00 0.00 179.24 177.36 1pj0 h ASP 139 N 0.72 0.00 -0.68 6.45 3.58 -1.23 -2.58 116.42 122.68 1pj0 h ASP 139 Ca 0.15 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 1pj0 h ASP 139 Cb 0.36 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1pj0 h ASP 139 CO 0.01 0.09 0.22 0.40 -2.88 0.00 0.00 179.24 177.07 1pj0 h ILE 140 N 0.00 1.25 -0.16 2.25 2.04 -1.32 0.63 117.51 122.20 1pj0 h ILE 140 Ca -0.00 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 1pj0 h ILE 140 Cb 0.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1pj0 h ILE 140 CO 0.01 0.34 -0.35 0.58 0.00 0.00 0.00 178.15 178.73 1pj0 h VAL 141 N 1.00 1.35 0.00 1.67 2.07 -1.56 -3.36 116.25 117.41 1pj0 h VAL 141 Ca 0.22 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1pj0 h VAL 141 Cb 0.29 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1pj0 h VAL 141 CO -0.01 0.49 -1.27 0.35 0.02 0.00 0.00 177.57 177.15 1pj0 n THR 142 N -4.32 0.70 -1.54 2.57 -2.24 -1.14 -4.83 114.28 103.47 1pj0 n THR 142 Ca -0.06 -0.59 -0.46 0.00 -2.27 0.00 0.00 64.05 60.67 1pj0 n THR 142 Cb 0.51 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 1pj0 n THR 142 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj0 n ASN 143 N -2.68 2.84 -0.14 3.42 2.85 0.22 -4.85 115.26 116.92 1pj0 n ASN 143 Ca -0.04 0.33 -0.03 0.00 -0.11 0.00 0.00 54.58 54.73 1pj0 n ASN 143 Cb 0.64 -1.43 0.05 0.00 1.24 0.00 0.00 39.78 40.28 1pj0 n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1pj0 h GLU 144 N 13.66 0.12 0.00 1.20 5.08 -1.91 0.13 114.58 132.86 1pj0 h GLU 144 Ca -0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1pj0 h GLU 144 Cb 1.27 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1pj0 h GLU 144 CO 0.98 0.08 -0.04 1.96 -1.00 0.00 0.00 179.01 180.99 1pj0 h GLN 145 N 0.13 0.00 0.06 2.33 1.08 -1.98 -2.88 115.11 113.84 1pj0 h GLN 145 Ca 0.23 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.13 1pj0 h GLN 145 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1pj0 h GLN 145 CO -0.37 0.04 -1.64 -0.89 -0.95 0.00 0.00 178.83 175.02 1pj0 n ILE 146 N -3.82 1.66 -0.54 2.54 5.41 -0.75 -4.47 119.36 119.39 1pj0 n ILE 146 Ca -0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 62.75 63.32 1pj0 n ILE 146 Cb 0.14 -1.89 -0.09 0.00 -0.71 0.00 0.00 39.64 37.09 1pj0 n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pj0 n GLN 147 N -3.96 1.09 0.00 0.38 1.13 0.38 -2.85 117.38 113.54 1pj0 n GLN 147 Ca -0.32 -0.50 0.00 0.00 -1.94 0.00 0.00 57.00 54.23 1pj0 n GLN 147 Cb 0.87 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.51 1pj0 n GLN 147 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pj0 n LYS 148 N 2.57 0.00 0.05 -1.09 5.02 -1.25 -4.50 118.16 118.95 1pj0 n LYS 148 Ca 0.22 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1pj0 n LYS 148 Cb 0.50 -0.56 0.01 0.00 -0.02 0.00 0.00 35.03 34.96 1pj0 n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pj0 h ARG 149 N 0.00 0.41 -0.16 1.97 -0.00 -1.83 -2.45 114.38 112.32 1pj0 h ARG 149 Ca 0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 1pj0 h ARG 149 Cb 0.76 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 1pj0 h ARG 149 CO 0.00 1.00 0.09 0.00 0.00 0.00 0.00 179.97 181.07 1pj0 h ALA 150 N 0.89 0.20 0.21 0.04 0.00 -1.84 0.24 119.26 118.99 1pj0 h ALA 150 Ca -0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pj0 h ALA 150 Cb 1.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1pj0 h ALA 150 CO 0.13 -0.33 -0.26 1.49 0.00 0.00 0.00 179.25 180.29 1pj0 h GLU 151 N 0.20 -0.50 -0.55 0.00 4.22 -1.77 0.44 114.58 116.62 1pj0 h GLU 151 Ca 0.06 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.58 1pj0 h GLU 151 Cb -0.01 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1pj0 h GLU 151 CO -0.03 -0.33 0.29 0.78 -2.18 0.00 0.00 179.01 177.54 1pj0 h GLY 152 N -0.52 0.78 0.74 1.92 0.00 -1.20 0.14 103.07 104.93 1pj0 h GLY 152 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1pj0 h GLY 152 CO -0.09 0.13 -0.19 -2.22 0.00 0.00 0.00 176.54 174.17 1pj0 h ILE 153 N 0.55 0.56 0.00 2.60 2.04 -0.25 -3.01 117.51 120.00 1pj0 h ILE 153 Ca 0.24 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1pj0 h ILE 153 Cb 0.14 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1pj0 h ILE 153 CO -0.16 0.07 -0.02 0.77 0.00 0.00 0.00 178.15 178.81 1pj0 h SER 154 N -0.81 0.00 -0.36 1.72 4.64 -0.03 -2.66 113.55 116.05 1pj0 h SER 154 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1pj0 h SER 154 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1pj0 h SER 154 CO 0.09 0.02 0.18 -1.28 -0.87 0.00 0.00 176.83 174.97 1pj0 h SER 155 N 0.00 0.47 -0.61 4.97 0.87 -0.60 0.12 113.55 118.77 1pj0 h SER 155 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1pj0 h SER 155 Cb 0.04 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1pj0 h SER 155 CO 0.00 0.45 0.38 1.88 -0.53 0.00 0.00 176.83 179.02 1pj0 h TYR 156 N 0.45 0.79 0.10 2.24 0.05 -1.37 -0.89 116.97 118.34 1pj0 h TYR 156 Ca 0.13 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1pj0 h TYR 156 Cb 0.10 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1pj0 h TYR 156 CO -0.02 0.52 -0.05 1.88 -1.05 0.00 0.00 178.16 179.45 1pj0 h TYR 157 N 0.82 -0.12 -0.80 4.88 0.05 -1.46 -2.38 116.97 117.95 1pj0 h TYR 157 Ca 0.22 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.05 1pj0 h TYR 157 Cb -0.05 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 1pj0 h TYR 157 CO -0.02 0.15 0.49 -0.44 -1.05 0.00 0.00 178.16 177.29 1pj0 h ASP 158 N -0.39 0.77 -0.53 3.88 3.32 -0.61 0.09 116.42 122.95 1pj0 h ASP 158 Ca -0.01 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1pj0 h ASP 158 Cb 0.33 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1pj0 h ASP 158 CO 0.02 0.50 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.57 1pj0 h GLU 159 N 0.91 1.02 -0.49 3.56 5.08 -1.18 -1.19 114.58 122.28 1pj0 h GLU 159 Ca 0.35 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1pj0 h GLU 159 Cb 0.15 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1pj0 h GLU 159 CO -0.17 1.08 0.15 1.25 -1.00 0.00 0.00 179.01 180.33 1pj0 h LEU 160 N 0.89 0.72 -0.39 1.33 5.85 -0.88 -1.20 115.31 121.63 1pj0 h LEU 160 Ca 0.13 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1pj0 h LEU 160 Cb 0.71 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1pj0 h LEU 160 CO 0.05 0.74 0.20 0.40 -0.34 0.00 0.00 178.44 179.49 1pj0 h ILE 161 N 0.67 1.16 -0.13 4.05 2.04 -0.87 0.10 117.51 124.54 1pj0 h ILE 161 Ca 0.16 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1pj0 h ILE 161 Cb 0.27 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1pj0 h ILE 161 CO -0.00 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.29 1pj0 h GLU 162 N 0.50 0.19 -0.31 2.37 4.81 -1.08 -1.61 114.58 119.44 1pj0 h GLU 162 Ca 0.14 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1pj0 h GLU 162 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1pj0 h GLU 162 CO -0.02 0.27 0.07 1.98 -0.73 0.00 0.00 179.01 180.58 1pj0 h MET 163 N 0.06 0.44 -0.60 1.92 4.05 -1.08 -1.99 114.93 117.73 1pj0 h MET 163 Ca 0.04 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1pj0 h MET 163 Cb 0.15 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1pj0 h MET 163 CO -0.00 0.41 0.13 1.15 0.23 0.00 0.00 176.91 178.83 1pj0 h THR 164 N 0.44 1.25 -0.60 -0.77 2.02 -0.61 -1.09 112.91 113.55 1pj0 h THR 164 Ca 0.10 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1pj0 h THR 164 Cb 0.18 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1pj0 h THR 164 CO -0.00 0.35 0.21 0.28 0.37 0.00 0.00 175.52 176.72 1pj0 h SER 165 N 0.89 0.86 -0.80 4.18 0.02 -0.60 -0.32 113.55 117.77 1pj0 h SER 165 Ca 0.19 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1pj0 h SER 165 Cb 0.38 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1pj0 h SER 165 CO 0.01 0.83 0.38 1.88 -1.14 0.00 0.00 176.83 178.78 1pj0 h TYR 166 N 0.85 1.15 -0.14 3.45 0.05 -1.18 0.84 116.97 121.99 1pj0 h TYR 166 Ca 0.20 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1pj0 h TYR 166 Cb 0.26 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1pj0 h TYR 166 CO 0.02 0.84 0.06 2.35 -1.05 0.00 0.00 178.16 180.37 1pj0 h TRP 167 N 1.13 0.21 -0.44 4.88 7.01 -0.74 0.22 115.95 128.22 1pj0 h TRP 167 Ca 0.27 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.17 1pj0 h TRP 167 Cb 0.12 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1pj0 h TRP 167 CO 0.01 0.29 -0.09 0.45 -2.79 0.00 0.00 178.44 176.31 1pj0 h HIS 168 N 0.07 0.85 0.10 2.65 3.86 -0.87 0.19 115.15 121.99 1pj0 h HIS 168 Ca 0.05 -0.15 -0.25 0.00 -1.16 0.00 0.00 60.37 58.86 1pj0 h HIS 168 Cb 0.17 -0.22 0.02 0.00 1.06 0.00 0.00 27.41 28.45 1pj0 h HIS 168 CO -0.01 0.83 -1.03 -0.07 0.86 0.00 0.00 177.93 178.50 1pj0 h LEU 169 N 0.71 0.73 0.00 2.43 3.38 -0.66 -2.72 115.31 119.18 1pj0 h LEU 169 Ca 0.12 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1pj0 h LEU 169 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pj0 h LEU 169 CO 0.03 1.49 -1.30 0.18 0.09 0.00 0.00 178.44 178.94 1pj0 n LEU 170 N -3.95 0.02 -0.37 1.67 4.77 0.75 -4.93 117.00 114.97 1pj0 n LEU 170 Ca -0.13 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1pj0 n LEU 170 Cb 0.89 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1pj0 n LEU 170 CO 0.54 0.00 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 1pj0 n GLY 171 N 2.02 -1.48 3.77 -0.72 0.00 0.66 -4.86 105.19 104.58 1pj0 n GLY 171 Ca -0.01 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 1pj0 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pj0 s GLU 172 N -1.39 3.26 0.00 1.61 2.02 -1.26 -4.71 118.70 118.23 1pj0 s GLU 172 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.57 1pj0 s GLU 172 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1pj0 s GLU 172 CO 0.00 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1pj0 n GLY 173 N 0.05 0.97 3.40 -1.39 0.00 -0.50 -4.96 105.19 102.76 1pj0 n GLY 173 Ca 0.11 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 1pj0 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pj0 s THR 174 N -1.21 4.29 0.43 2.61 2.01 -1.26 -1.04 115.64 121.47 1pj0 s THR 174 Ca 0.00 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1pj0 s THR 174 Cb 0.00 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1pj0 s THR 174 CO 0.00 0.11 0.11 -1.00 -0.69 0.00 0.00 174.62 173.15 1pj0 s HIS 175 N 1.56 2.41 -0.03 4.92 3.76 0.12 -4.94 115.29 123.09 1pj0 s HIS 175 Ca 0.04 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.31 1pj0 s HIS 175 Cb -0.17 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1pj0 s HIS 175 CO 0.04 0.23 -0.15 0.95 -0.85 0.00 0.00 174.74 174.97 1pj0 s THR 176 N -2.69 1.22 -0.15 1.30 -4.23 -1.26 0.14 115.64 109.97 1pj0 s THR 176 Ca 0.34 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1pj0 s THR 176 Cb 0.05 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.91 1pj0 s THR 176 CO 0.18 0.35 0.05 -0.69 -0.54 0.00 0.00 174.62 173.98 1pj0 s VAL 177 N -0.10 0.21 -1.36 2.29 1.01 0.16 -4.87 120.40 117.74 1pj0 s VAL 177 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1pj0 s VAL 177 Cb -0.09 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1pj0 s VAL 177 CO 0.01 -0.14 0.49 0.59 0.00 0.00 0.00 175.10 176.05 1pj0 n ASN 178 N 5.17 -1.11 0.00 3.32 3.02 -1.26 -1.58 115.26 122.83 1pj0 n ASN 178 Ca -0.07 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1pj0 n ASN 178 Cb 0.48 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 1pj0 n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj0 n GLY 179 N -1.92 1.70 3.57 7.41 0.00 -1.26 -5.02 105.19 109.67 1pj0 n GLY 179 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1pj0 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj0 s LYS 180 N -0.12 2.55 0.07 1.61 1.02 -0.61 -5.09 119.74 119.17 1pj0 s LYS 180 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.01 1pj0 s LYS 180 Cb 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1pj0 s LYS 180 CO 0.00 0.61 0.90 0.95 -0.92 0.00 0.00 175.35 176.89 1pj0 s THR 181 N -0.91 4.64 -0.18 2.17 -4.23 -1.26 0.36 115.64 116.22 1pj0 s THR 181 Ca 0.15 1.92 0.00 0.00 -1.18 0.00 0.00 61.69 62.59 1pj0 s THR 181 Cb -0.11 -4.25 0.04 0.00 1.34 0.00 0.00 72.50 69.52 1pj0 s THR 181 CO 0.05 0.30 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.65 1pj0 s VAL 182 N 0.16 1.52 -0.19 2.29 1.01 0.38 -4.91 120.40 120.67 1pj0 s VAL 182 Ca 0.45 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1pj0 s VAL 182 Cb -0.22 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1pj0 s VAL 182 CO 0.27 0.21 0.24 -0.89 0.00 0.00 0.00 175.10 174.93 1pj0 s THR 183 N 1.46 5.34 -0.22 3.92 2.01 -1.26 0.11 115.64 126.99 1pj0 s THR 183 Ca 0.00 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1pj0 s THR 183 Cb -0.15 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1pj0 s THR 183 CO -0.09 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 1pj0 s VAL 184 N 0.58 2.46 -0.12 3.82 1.01 -0.20 -5.01 120.40 122.95 1pj0 s VAL 184 Ca 0.13 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1pj0 s VAL 184 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1pj0 s VAL 184 CO 0.02 0.32 -0.17 -0.55 0.00 0.00 0.00 175.10 174.72 1pj0 s SER 185 N 1.29 2.66 0.33 3.32 0.15 -1.26 -1.40 113.70 118.78 1pj0 s SER 185 Ca 0.01 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.21 1pj0 s SER 185 Cb -0.15 -1.20 0.59 0.00 -1.71 0.00 0.00 66.02 63.54 1pj0 s SER 185 CO -0.08 0.03 1.90 0.25 1.20 0.00 0.00 173.24 176.55 1pj0 h LEU 186 N 7.40 0.59 -0.60 3.45 5.85 -1.98 -1.26 115.31 128.76 1pj0 h LEU 186 Ca -0.32 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1pj0 h LEU 186 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1pj0 h LEU 186 CO 0.51 0.58 0.36 -0.09 -0.34 0.00 0.00 178.44 179.47 1pj0 h ARG 187 N 0.64 0.81 -0.24 1.25 2.43 -1.99 0.62 114.38 117.89 1pj0 h ARG 187 Ca 0.15 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1pj0 h ARG 187 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1pj0 h ARG 187 CO -0.01 0.57 -0.31 0.93 -1.51 0.00 0.00 179.97 179.64 1pj0 h GLU 188 N 0.81 0.49 -0.54 0.20 4.39 -1.84 -1.91 114.58 116.18 1pj0 h GLU 188 Ca 0.21 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1pj0 h GLU 188 Cb -0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1pj0 h GLU 188 CO -0.04 0.75 -0.07 1.25 -1.16 0.00 0.00 179.01 179.74 1pj0 h LEU 189 N 0.43 0.99 -0.86 1.33 6.46 -0.70 -0.58 115.31 122.37 1pj0 h LEU 189 Ca 0.05 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1pj0 h LEU 189 Cb 0.76 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1pj0 h LEU 189 CO 0.06 1.09 0.23 0.11 -0.62 0.00 0.00 178.44 179.31 1pj0 h LYS 190 N 0.87 1.08 -0.47 1.25 1.57 -0.69 -1.15 116.57 119.02 1pj0 h LYS 190 Ca 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1pj0 h LYS 190 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1pj0 h LYS 190 CO 0.04 0.91 0.16 -0.22 -0.57 0.00 0.00 179.45 179.77 1pj0 h LYS 191 N 1.04 0.72 -0.91 3.15 3.64 -0.96 -0.38 116.57 122.86 1pj0 h LYS 191 Ca 0.23 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1pj0 h LYS 191 Cb 0.27 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1pj0 h LYS 191 CO -0.01 0.67 0.59 0.87 -2.27 0.00 0.00 179.45 179.31 1pj0 h LYS 192 N 0.62 1.12 -0.23 1.90 1.79 -0.72 -0.10 116.57 120.95 1pj0 h LYS 192 Ca 0.15 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1pj0 h LYS 192 Cb 0.25 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1pj0 h LYS 192 CO -0.01 0.74 0.01 1.25 -1.08 0.00 0.00 179.45 180.36 1pj0 h LEU 193 N 1.15 0.39 -1.58 2.94 5.85 -0.90 -1.62 115.31 121.55 1pj0 h LEU 193 Ca 0.36 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1pj0 h LEU 193 Cb -0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1pj0 h LEU 193 CO -0.12 0.59 0.44 0.22 -0.34 0.00 0.00 178.44 179.24 1pj0 h TYR 194 N 0.17 0.50 -0.06 1.25 3.20 -0.43 -1.38 116.97 120.22 1pj0 h TYR 194 Ca 0.06 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1pj0 h TYR 194 Cb 0.39 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1pj0 h TYR 194 CO 0.03 0.23 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.65 1pj0 h LEU 195 N 0.47 0.16 -0.50 2.82 3.38 -0.48 -1.64 115.31 119.53 1pj0 h LEU 195 Ca 0.31 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1pj0 h LEU 195 Cb 0.59 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1pj0 h LEU 195 CO -0.10 0.61 0.26 0.00 0.09 0.00 0.00 178.44 179.30 1pj0 h LEU 197 N 0.50 0.17 -0.44 0.00 4.07 -1.30 1.08 115.31 119.39 1pj0 h LEU 197 Ca 0.22 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1pj0 h LEU 197 Cb 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1pj0 h LEU 197 CO -0.15 0.14 0.16 0.24 -1.08 0.00 0.00 178.44 177.75 1pj0 h MET 198 N 0.29 0.67 -0.67 1.13 2.86 -0.98 0.46 114.93 118.68 1pj0 h MET 198 Ca 0.15 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1pj0 h MET 198 Cb 0.10 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1pj0 h MET 198 CO -0.14 0.63 0.22 0.77 1.06 0.00 0.00 176.91 179.45 1pj0 h SER 199 N 0.57 0.95 0.26 1.22 0.02 -0.33 -1.12 113.55 115.11 1pj0 h SER 199 Ca 0.14 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1pj0 h SER 199 Cb 0.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1pj0 h SER 199 CO -0.01 0.88 -0.54 0.58 -1.14 0.00 0.00 176.83 176.60 1pj0 h VAL 200 N 0.99 1.35 -0.62 2.27 2.07 0.15 -0.94 116.25 121.52 1pj0 h VAL 200 Ca 0.22 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1pj0 h VAL 200 Cb 0.26 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1pj0 h VAL 200 CO -0.01 0.54 0.17 -1.13 0.02 0.00 0.00 177.57 177.16 1pj0 h ASN 201 N 0.24 0.92 0.18 0.57 -1.24 -0.32 0.91 115.58 116.84 1pj0 h ASN 201 Ca 0.00 -0.22 -0.11 0.00 0.71 0.00 0.00 56.30 56.68 1pj0 h ASN 201 Cb 1.02 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 1pj0 h ASN 201 CO 0.09 0.91 -0.41 0.00 -1.29 0.00 0.00 177.43 176.73 1pj0 h ALA 202 N 1.05 1.06 0.15 1.57 0.00 -0.96 0.29 119.26 122.42 1pj0 h ALA 202 Ca 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1pj0 h ALA 202 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pj0 h ALA 202 CO -0.00 0.60 -0.07 1.25 0.00 0.00 0.00 179.25 181.03 1pj0 h LEU 203 N 0.25 -0.17 -0.27 0.00 6.46 -0.59 0.19 115.31 121.19 1pj0 h LEU 203 Ca 0.02 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.52 1pj0 h LEU 203 Cb 0.83 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1pj0 h LEU 203 CO 0.07 0.09 -0.13 -0.33 -0.62 0.00 0.00 178.44 177.52 1pj0 h GLU 204 N -0.43 0.57 0.00 1.25 4.39 -0.72 -2.03 114.58 117.61 1pj0 h GLU 204 Ca -0.02 -0.25 -0.22 0.00 0.34 0.00 0.00 59.36 59.22 1pj0 h GLU 204 Cb 0.34 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1pj0 h GLU 204 CO 0.03 0.81 -1.13 0.00 -1.16 0.00 0.00 179.01 177.56 1pj0 h ALA 205 N 0.74 0.48 0.00 3.43 0.00 -0.47 -3.39 119.26 120.06 1pj0 h ALA 205 Ca 0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 1pj0 h ALA 205 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pj0 h ALA 205 CO 0.04 1.27 -0.66 -0.89 0.00 0.00 0.00 179.25 179.01 1pj0 n ILE 206 N -3.26 0.91 -0.10 0.00 5.41 0.58 -4.54 119.36 118.36 1pj0 n ILE 206 Ca -0.04 0.18 -0.06 0.00 1.00 0.00 0.00 62.75 63.83 1pj0 n ILE 206 Cb 0.95 -1.68 0.01 0.00 -0.71 0.00 0.00 39.64 38.20 1pj0 n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1pj0 h ARG 207 N -0.21 0.07 -0.39 0.38 3.08 -1.14 -1.35 114.38 114.81 1pj0 h ARG 207 Ca -0.06 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1pj0 h ARG 207 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1pj0 h ARG 207 CO -0.04 0.04 0.12 0.74 -1.07 0.00 0.00 179.97 179.77 1pj0 h PHE 208 N 0.07 0.63 -0.46 3.04 0.04 -1.57 -3.06 116.94 115.64 1pj0 h PHE 208 Ca 0.17 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1pj0 h PHE 208 Cb 0.24 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1pj0 h PHE 208 CO -0.26 0.59 0.15 1.88 -0.60 0.00 0.00 178.31 180.07 1pj0 h TYR 209 N 0.49 0.67 -0.66 -0.55 -1.99 -1.69 -1.51 116.97 111.74 1pj0 h TYR 209 Ca 0.13 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.74 1pj0 h TYR 209 Cb 0.26 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1pj0 h TYR 209 CO 0.01 0.55 0.11 0.28 -0.00 0.00 0.00 178.16 179.11 1pj0 h VAL 210 N 0.66 1.26 -0.04 -2.88 2.07 -1.22 -2.20 116.25 113.90 1pj0 h VAL 210 Ca 0.16 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1pj0 h VAL 210 Cb 0.19 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1pj0 h VAL 210 CO -0.01 0.39 -0.35 0.77 0.02 0.00 0.00 177.57 178.39 1pj0 h SER 211 N 1.01 0.07 -0.64 0.57 4.64 -1.28 -2.71 113.55 115.23 1pj0 h SER 211 Ca 0.20 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1pj0 h SER 211 Cb 0.43 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1pj0 h SER 211 CO 0.01 0.42 0.16 -0.26 -0.87 0.00 0.00 176.83 176.29 1pj0 h PHE 212 N 0.07 1.08 -0.29 4.77 0.04 -0.68 0.14 116.94 122.07 1pj0 h PHE 212 Ca 0.01 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1pj0 h PHE 212 Cb 0.65 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1pj0 h PHE 212 CO 0.00 0.89 0.08 0.00 -0.60 0.00 0.00 178.31 178.68 1pj0 h ALA 213 N 1.18 0.38 -0.55 2.45 0.00 -1.21 0.54 119.26 122.04 1pj0 h ALA 213 Ca 0.21 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1pj0 h ALA 213 Cb 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1pj0 h ALA 213 CO 0.00 0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.35 1pj0 h SER 215 N 0.21 0.69 0.92 0.00 0.87 -0.20 -3.27 113.55 112.78 1pj0 h SER 215 Ca 0.29 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1pj0 h SER 215 Cb 0.42 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1pj0 h SER 215 CO -0.39 1.17 0.00 0.49 -0.53 0.00 0.00 176.83 177.57 1pj0 n PHE 216 N -4.21 0.55 -0.11 2.24 3.72 0.18 -2.79 117.46 117.04 1pj0 n PHE 216 Ca -0.07 0.19 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 1pj0 n PHE 216 Cb 0.59 -0.81 0.23 0.00 -0.94 0.00 0.00 39.48 38.55 1pj0 n PHE 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pj0 h ALA 217 N 2.50 1.30 -0.13 4.37 0.00 -1.40 -0.63 119.26 125.27 1pj0 h ALA 217 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pj0 h ALA 217 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pj0 h ALA 217 CO 0.00 0.50 -0.05 0.74 0.00 0.00 0.00 179.25 180.44 1pj0 h PHE 218 N 0.76 0.30 -0.95 0.00 0.04 -1.69 -3.07 116.94 112.34 1pj0 h PHE 218 Ca 0.18 -0.07 0.13 0.00 2.80 0.00 0.00 57.97 61.00 1pj0 h PHE 218 Cb 0.23 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 1pj0 h PHE 218 CO 0.01 0.59 0.61 0.00 -0.60 0.00 0.00 178.31 178.92 1pj0 h ALA 219 N 0.67 1.66 0.00 2.45 0.00 -1.29 0.28 119.26 123.03 1pj0 h ALA 219 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pj0 h ALA 219 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pj0 h ALA 219 CO 0.02 0.09 -0.03 0.93 0.00 0.00 0.00 179.25 180.26 1pj0 h GLU 220 N 0.86 0.00 -0.62 0.00 4.39 -1.04 0.35 114.58 118.52 1pj0 h GLU 220 Ca 0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1pj0 h GLU 220 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1pj0 h GLU 220 CO -0.24 0.03 0.00 0.54 -1.16 0.00 0.00 179.01 178.18 1pj0 n ARG 221 N -4.30 3.09 -2.88 2.33 1.74 0.87 -4.91 116.66 112.60 1pj0 n ARG 221 Ca -0.03 -2.20 -0.22 0.00 -0.77 0.00 0.00 57.85 54.64 1pj0 n ARG 221 Cb 0.12 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 29.83 1pj0 n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pj0 n GLU 222 N 0.83 -3.99 -4.36 5.56 1.02 0.12 -5.00 120.64 114.83 1pj0 n GLU 222 Ca 0.20 0.90 -0.28 0.00 -0.02 0.00 0.00 57.16 57.96 1pj0 n GLU 222 Cb 0.71 -5.70 -0.11 0.00 -0.02 0.00 0.00 31.44 26.31 1pj0 n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pj0 s LEU 223 N -6.50 2.63 -1.34 -4.62 1.43 -0.55 -4.69 118.68 105.04 1pj0 s LEU 223 Ca 0.23 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1pj0 s LEU 223 Cb -0.10 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1pj0 s LEU 223 CO 0.28 0.13 0.54 0.23 0.23 0.00 0.00 176.35 177.77 1pj0 n MET 224 N 0.38 -3.16 0.17 1.70 2.81 -1.26 -2.93 117.12 114.83 1pj0 n MET 224 Ca -0.13 0.45 0.04 0.00 -1.81 0.00 0.00 57.70 56.25 1pj0 n MET 224 Cb 0.55 -4.55 0.25 0.00 -0.71 0.00 0.00 33.22 28.77 1pj0 n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pj0 h GLU 225 N -1.86 0.00 -0.23 0.03 5.08 -1.93 -2.17 114.58 113.50 1pj0 h GLU 225 Ca -0.63 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.63 1pj0 h GLU 225 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1pj0 h GLU 225 CO 0.59 0.44 -0.24 0.78 -1.00 0.00 0.00 179.01 179.58 1pj0 h GLY 226 N 2.32 0.63 0.74 -3.84 0.00 -1.90 -2.07 103.07 98.95 1pj0 h GLY 226 Ca -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.71 1pj0 h GLY 226 CO 0.06 0.58 0.09 -0.57 0.00 0.00 0.00 176.54 176.70 1pj0 h ASN 227 N 0.27 0.09 -0.57 0.19 -1.24 -1.86 -2.32 115.58 110.15 1pj0 h ASN 227 Ca 0.04 0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.15 1pj0 h ASN 227 Cb 0.80 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.82 1pj0 h ASN 227 CO 0.06 0.09 0.26 0.00 -1.29 0.00 0.00 177.43 176.54 1pj0 h ALA 228 N 1.19 0.74 -0.61 1.57 0.00 -1.27 0.19 119.26 121.07 1pj0 h ALA 228 Ca 0.13 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pj0 h ALA 228 Cb 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1pj0 h ALA 228 CO -0.14 -0.12 0.39 0.87 0.00 0.00 0.00 179.25 180.25 1pj0 h LYS 229 N 0.48 0.76 -0.43 0.00 1.57 -1.03 0.26 116.57 118.18 1pj0 h LYS 229 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1pj0 h LYS 229 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1pj0 h LYS 229 CO -0.22 0.50 0.01 0.82 -0.57 0.00 0.00 179.45 179.99 1pj0 h ILE 230 N 0.78 1.26 -0.22 1.86 2.04 -0.80 -2.80 117.51 119.63 1pj0 h ILE 230 Ca 0.24 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1pj0 h ILE 230 Cb -0.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1pj0 h ILE 230 CO -0.08 0.35 -0.06 0.40 0.00 0.00 0.00 178.15 178.76 1pj0 h ILE 231 N 0.60 1.17 -0.77 -0.67 1.08 -0.22 -1.46 117.51 117.25 1pj0 h ILE 231 Ca 0.12 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 1pj0 h ILE 231 Cb 0.47 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1pj0 h ILE 231 CO 0.02 0.23 0.42 0.03 -0.69 0.00 0.00 178.15 178.17 1pj0 h ARG 232 N 0.33 1.07 -0.37 2.37 3.08 -0.71 0.13 114.38 120.28 1pj0 h ARG 232 Ca 0.07 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1pj0 h ARG 232 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1pj0 h ARG 232 CO 0.01 0.79 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.32 1pj0 h LEU 233 N 1.06 0.83 -0.32 3.04 3.38 -1.14 -2.00 115.31 120.15 1pj0 h LEU 233 Ca 0.27 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1pj0 h LEU 233 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1pj0 h LEU 233 CO -0.04 1.08 -0.01 0.40 0.09 0.00 0.00 178.44 179.95 1pj0 h ILE 234 N 0.68 1.26 -0.55 1.22 2.04 -0.93 -2.68 117.51 118.55 1pj0 h ILE 234 Ca 0.08 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1pj0 h ILE 234 Cb 0.85 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1pj0 h ILE 234 CO 0.07 0.32 0.30 0.00 0.00 0.00 0.00 178.15 178.85 1pj0 h ALA 235 N 0.84 1.49 -0.66 1.87 0.00 -0.66 -0.01 119.26 122.13 1pj0 h ALA 235 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pj0 h ALA 235 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pj0 h ALA 235 CO 0.02 0.42 0.38 -0.09 0.00 0.00 0.00 179.25 179.98 1pj0 h ARG 236 N 0.77 0.90 -0.11 0.00 2.43 -1.11 -1.90 114.38 115.36 1pj0 h ARG 236 Ca 0.20 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1pj0 h ARG 236 Cb 0.03 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1pj0 h ARG 236 CO -0.03 0.65 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.27 1pj0 h ASP 237 N 0.92 0.52 -0.36 -3.80 3.32 -0.84 -3.24 116.42 112.95 1pj0 h ASP 237 Ca 0.24 -0.61 0.04 0.00 0.02 0.00 0.00 57.03 56.72 1pj0 h ASP 237 Cb -0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1pj0 h ASP 237 CO -0.04 1.04 0.24 -0.33 -1.72 0.00 0.00 179.24 178.43 1pj0 h GLU 238 N 0.02 0.29 -0.99 3.56 4.39 -0.68 -0.52 114.58 120.64 1pj0 h GLU 238 Ca -0.02 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1pj0 h GLU 238 Cb 1.00 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 1pj0 h GLU 238 CO 0.08 0.19 0.65 0.00 -1.16 0.00 0.00 179.01 178.77 1pj0 h ALA 239 N 1.80 1.32 -0.32 3.43 0.00 -1.38 -0.45 119.26 123.66 1pj0 h ALA 239 Ca 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1pj0 h ALA 239 Cb 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pj0 h ALA 239 CO -0.03 0.61 -0.17 -0.07 0.00 0.00 0.00 179.25 179.59 1pj0 h LEU 240 N 1.31 0.72 -0.76 0.00 3.38 -1.20 -2.41 115.31 116.33 1pj0 h LEU 240 Ca 0.38 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pj0 h LEU 240 Cb -0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1pj0 h LEU 240 CO -0.10 0.97 0.43 0.45 0.09 0.00 0.00 178.44 180.28 1pj0 h HIS 241 N 0.46 1.04 0.00 1.13 3.86 -0.79 -0.86 115.15 119.99 1pj0 h HIS 241 Ca 0.07 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1pj0 h HIS 241 Cb 0.71 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1pj0 h HIS 241 CO 0.06 0.72 -0.57 1.37 0.86 0.00 0.00 177.93 180.37 1pj0 h LEU 242 N 1.05 0.00 -0.67 2.43 8.10 -1.11 -1.80 115.31 123.31 1pj0 h LEU 242 Ca 0.27 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.17 1pj0 h LEU 242 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.21 1pj0 h LEU 242 CO -0.04 0.57 0.09 0.74 -4.11 0.00 0.00 178.44 175.69 1pj0 h THR 243 N 0.00 1.27 -0.28 0.15 2.02 -0.89 -0.34 112.91 114.83 1pj0 h THR 243 Ca -0.01 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 1pj0 h THR 243 Cb 1.07 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1pj0 h THR 243 CO 0.07 0.40 0.03 1.23 0.37 0.00 0.00 175.52 177.63 1pj0 h GLY 244 N 1.04 0.52 1.70 2.16 0.00 -0.78 -1.72 103.07 105.99 1pj0 h GLY 244 Ca 0.20 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1pj0 h GLY 244 CO 0.02 0.33 -0.44 -0.91 0.00 0.00 0.00 176.54 175.54 1pj0 h THR 245 N 0.29 1.32 -0.40 4.70 1.35 -1.21 -1.71 112.91 117.25 1pj0 h THR 245 Ca 0.08 -1.60 -0.02 0.00 -0.55 0.00 0.00 66.41 64.32 1pj0 h THR 245 Cb 0.37 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1pj0 h THR 245 CO 0.01 0.48 0.18 1.56 -0.25 0.00 0.00 175.52 177.50 1pj0 h GLN 246 N 0.27 0.58 -0.58 4.72 4.20 -0.95 -0.82 115.11 122.53 1pj0 h GLN 246 Ca 0.02 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1pj0 h GLN 246 Cb 0.88 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1pj0 h GLN 246 CO 0.07 0.53 0.23 0.45 -0.67 0.00 0.00 178.83 179.44 1pj0 h HIS 247 N 0.50 0.89 0.06 2.96 3.86 -1.13 -0.93 115.15 121.36 1pj0 h HIS 247 Ca 0.13 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1pj0 h HIS 247 Cb 0.15 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1pj0 h HIS 247 CO -0.01 0.72 -0.11 0.52 0.86 0.00 0.00 177.93 179.91 1pj0 h MET 248 N 0.80 -0.21 -0.50 2.45 2.86 -1.04 -0.59 114.93 118.72 1pj0 h MET 248 Ca 0.19 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1pj0 h MET 248 Cb 0.21 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1pj0 h MET 248 CO -0.01 -0.14 0.29 -0.07 1.06 0.00 0.00 176.91 178.04 1pj0 h LEU 249 N -0.21 0.61 -0.92 1.22 3.38 -1.01 -1.53 115.31 116.84 1pj0 h LEU 249 Ca 0.02 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1pj0 h LEU 249 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pj0 h LEU 249 CO -0.07 0.50 -0.16 0.78 0.09 0.00 0.00 178.44 179.59 1pj0 h ASN 250 N 0.66 0.61 0.17 -0.43 2.35 -1.03 -0.55 115.58 117.37 1pj0 h ASN 250 Ca 0.18 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1pj0 h ASN 250 Cb 0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1pj0 h ASN 250 CO -0.03 0.79 -0.41 -0.07 -1.65 0.00 0.00 177.43 176.05 1pj0 h LEU 251 N 0.56 0.33 -0.22 1.61 3.38 -0.88 -1.43 115.31 118.65 1pj0 h LEU 251 Ca 0.09 -0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1pj0 h LEU 251 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pj0 h LEU 251 CO 0.04 0.71 -0.85 -0.07 0.09 0.00 0.00 178.44 178.36 1pj0 h LEU 252 N 0.26 0.66 0.04 1.67 3.38 -0.80 -3.27 115.31 117.25 1pj0 h LEU 252 Ca 0.02 -0.47 -0.24 0.00 0.09 0.00 0.00 57.88 57.28 1pj0 h LEU 252 Cb 0.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1pj0 h LEU 252 CO 0.07 1.25 -1.16 0.08 0.09 0.00 0.00 178.44 178.77 1pj0 h ARG 253 N 0.34 0.08 -0.33 1.13 0.11 -1.04 -2.52 114.38 112.14 1pj0 h ARG 253 Ca -0.06 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 59.88 1pj0 h ARG 253 Cb 1.47 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.58 1pj0 h ARG 253 CO 0.16 1.01 0.20 0.66 0.10 0.00 0.00 179.97 182.10 1pj0 h SER 254 N 0.02 0.39 0.00 0.08 4.64 -1.36 -3.41 113.55 113.91 1pj0 h SER 254 Ca -0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1pj0 h SER 254 Cb 1.86 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 1pj0 h SER 254 CO 0.14 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1pj0 n GLY 255 N -1.43 0.67 0.21 -0.77 0.00 -1.24 -4.95 105.19 97.67 1pj0 n GLY 255 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1pj0 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj0 h ALA 256 N 0.00 0.95 0.01 4.61 0.00 -1.88 -3.34 119.26 119.61 1pj0 h ALA 256 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.43 1pj0 h ALA 256 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1pj0 h ALA 256 CO 0.00 0.10 -2.26 -3.47 0.00 0.00 0.00 179.25 173.62 1pj0 n ASP 257 N -3.12 1.95 -3.38 0.00 2.03 -1.23 -4.94 116.55 107.85 1pj0 n ASP 257 Ca 0.04 0.29 -0.12 0.00 0.52 0.00 0.00 54.79 55.51 1pj0 n ASP 257 Cb 0.56 -0.80 -0.09 0.00 -0.72 0.00 0.00 41.12 40.07 1pj0 n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pj0 s ASP 258 N -7.23 0.71 0.28 1.67 2.15 -1.26 -4.74 116.67 108.26 1pj0 s ASP 258 Ca -0.36 -0.08 0.01 0.00 0.43 0.00 0.00 52.55 52.55 1pj0 s ASP 258 Cb 0.12 0.87 0.66 0.00 -0.30 0.00 0.00 42.92 44.27 1pj0 s ASP 258 CO 0.54 -0.32 1.67 -0.65 -0.17 0.00 0.00 175.17 176.23 1pj0 h PRO 259 N 8.22 0.28 -0.83 4.34 0.11 -1.92 -0.28 132.00 141.92 1pj0 h PRO 259 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1pj0 h PRO 259 Cb 1.14 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1pj0 h PRO 259 CO 0.28 0.18 0.53 1.49 -0.21 0.00 0.00 178.00 180.28 1pj0 h GLU 260 N 0.29 1.11 -0.67 1.05 4.81 -1.94 -1.37 114.58 117.84 1pj0 h GLU 260 Ca 0.52 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1pj0 h GLU 260 Cb 1.00 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1pj0 h GLU 260 CO -0.58 0.75 0.17 0.52 -0.73 0.00 0.00 179.01 179.14 1pj0 h MET 261 N 1.14 1.07 -0.76 1.92 2.86 -1.32 0.17 114.93 120.01 1pj0 h MET 261 Ca 0.30 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1pj0 h MET 261 Cb -0.10 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1pj0 h MET 261 CO -0.06 0.95 0.41 0.00 1.06 0.00 0.00 176.91 179.28 1pj0 h ALA 262 N 1.07 0.98 -0.15 6.32 0.00 -0.92 0.11 119.26 126.67 1pj0 h ALA 262 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pj0 h ALA 262 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pj0 h ALA 262 CO 0.00 0.49 0.05 1.49 0.00 0.00 0.00 179.25 181.29 1pj0 h GLU 263 N 1.06 0.22 -0.56 0.00 4.81 -0.78 -2.20 114.58 117.13 1pj0 h GLU 263 Ca 0.27 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1pj0 h GLU 263 Cb 0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1pj0 h GLU 263 CO -0.04 0.33 0.24 0.82 -0.73 0.00 0.00 179.01 179.63 1pj0 h ILE 264 N 0.07 1.22 -0.75 2.32 2.04 -0.31 -2.49 117.51 119.60 1pj0 h ILE 264 Ca 0.05 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1pj0 h ILE 264 Cb 0.20 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1pj0 h ILE 264 CO -0.00 0.25 0.32 0.00 0.00 0.00 0.00 178.15 178.72 1pj0 h ALA 265 N 1.08 0.97 -0.73 1.87 0.00 -0.75 -1.76 119.26 119.95 1pj0 h ALA 265 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1pj0 h ALA 265 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1pj0 h ALA 265 CO -0.02 0.58 0.35 1.49 0.00 0.00 0.00 179.25 181.66 1pj0 h GLU 266 N 1.08 1.05 -0.63 0.00 4.57 -1.25 -2.50 114.58 116.90 1pj0 h GLU 266 Ca 0.25 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1pj0 h GLU 266 Cb 0.19 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1pj0 h GLU 266 CO -0.02 0.82 0.14 0.93 -1.18 0.00 0.00 179.01 179.70 1pj0 h GLU 267 N 1.02 1.03 -0.93 1.92 5.08 -0.99 -3.16 114.58 118.55 1pj0 h GLU 267 Ca 0.25 -0.26 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1pj0 h GLU 267 Cb 0.12 -0.13 -0.29 0.00 0.50 0.00 0.00 28.75 28.95 1pj0 h GLU 267 CO -0.03 0.94 0.59 0.00 -1.00 0.00 0.00 179.01 179.50 1pj0 h LYS 269 N 1.08 0.89 -0.66 0.00 2.10 -1.41 -1.41 116.57 117.16 1pj0 h LYS 269 Ca 0.59 -0.38 -0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1pj0 h LYS 269 Cb 2.59 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 33.86 1pj0 h LYS 269 CO 1.07 1.03 0.41 0.37 -2.00 0.00 0.00 179.45 180.33 1pj0 h GLN 270 N 0.71 0.88 -0.18 0.07 5.75 -1.86 0.22 115.11 120.71 1pj0 h GLN 270 Ca 0.10 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1pj0 h GLN 270 Cb 0.76 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1pj0 h GLN 270 CO 0.06 0.61 0.00 1.49 -2.65 0.00 0.00 178.83 178.34 1pj0 h GLU 271 N 0.90 0.32 -0.85 1.69 4.81 -1.83 -1.22 114.58 118.39 1pj0 h GLU 271 Ca 0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1pj0 h GLU 271 Cb -0.06 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1pj0 h GLU 271 CO -0.05 0.52 0.44 0.00 -0.73 0.00 0.00 179.01 179.20 1pj0 h TYR 273 N 1.20 0.09 -0.27 0.00 5.03 -0.37 -0.36 116.97 122.29 1pj0 h TYR 273 Ca 0.30 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.54 1pj0 h TYR 273 Cb 0.07 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1pj0 h TYR 273 CO 0.01 0.04 -0.16 -0.44 -1.32 0.00 0.00 178.16 176.29 1pj0 h ASP 274 N 0.12 0.46 -0.70 -2.11 3.32 -0.70 -1.44 116.42 115.37 1pj0 h ASP 274 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pj0 h ASP 274 Cb 0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1pj0 h ASP 274 CO -0.07 0.65 0.41 0.25 -1.72 0.00 0.00 179.24 178.76 1pj0 h LEU 275 N 0.43 0.86 -0.16 1.55 6.46 -0.23 0.10 115.31 124.33 1pj0 h LEU 275 Ca 0.08 -0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1pj0 h LEU 275 Cb 0.54 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1pj0 h LEU 275 CO 0.03 0.69 -0.08 -0.26 -0.62 0.00 0.00 178.44 178.21 1pj0 h PHE 276 N 0.96 0.39 -0.81 1.25 0.04 -0.59 -2.28 116.94 115.90 1pj0 h PHE 276 Ca 0.25 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1pj0 h PHE 276 Cb 0.00 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1pj0 h PHE 276 CO -0.01 0.65 0.45 0.28 -0.60 0.00 0.00 178.31 179.08 1pj0 h VAL 277 N 0.01 1.23 -0.75 -0.55 2.07 -1.06 -1.06 116.25 116.16 1pj0 h VAL 277 Ca 0.04 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1pj0 h VAL 277 Cb 0.55 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1pj0 h VAL 277 CO 0.02 0.26 0.36 -0.61 0.02 0.00 0.00 177.57 177.62 1pj0 h GLN 278 N 1.13 1.08 -0.35 1.57 4.15 -0.71 0.21 115.11 122.19 1pj0 h GLN 278 Ca 0.29 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1pj0 h GLN 278 Cb 0.01 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1pj0 h GLN 278 CO -0.05 0.84 0.17 0.00 -1.93 0.00 0.00 178.83 177.87 1pj0 h ALA 279 N 1.18 0.45 -0.85 3.38 0.00 -0.79 0.07 119.26 122.70 1pj0 h ALA 279 Ca 0.26 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pj0 h ALA 279 Cb 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1pj0 h ALA 279 CO -0.03 0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.78 1pj0 h ALA 280 N 1.03 1.09 -0.43 0.00 0.00 -0.66 -1.77 119.26 118.53 1pj0 h ALA 280 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1pj0 h ALA 280 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1pj0 h ALA 280 CO -0.02 0.45 -0.06 0.37 0.00 0.00 0.00 179.25 179.99 1pj0 h GLN 281 N 1.12 0.73 -0.50 0.00 5.75 -0.15 -1.36 115.11 120.71 1pj0 h GLN 281 Ca 0.32 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1pj0 h GLN 281 Cb -0.08 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1pj0 h GLN 281 CO -0.09 0.78 -0.02 1.96 -2.65 0.00 0.00 178.83 178.82 1pj0 h GLN 282 N 0.67 0.84 -0.25 1.69 4.20 -0.34 0.48 115.11 122.41 1pj0 h GLN 282 Ca 0.12 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 1pj0 h GLN 282 Cb 0.51 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1pj0 h GLN 282 CO 0.03 0.86 -0.36 0.93 -0.67 0.00 0.00 178.83 179.61 1pj0 h GLU 283 N 0.78 0.56 -0.00 1.46 4.39 -0.92 -2.15 114.58 118.69 1pj0 h GLU 283 Ca 0.15 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1pj0 h GLU 283 Cb 0.50 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1pj0 h GLU 283 CO 0.02 0.84 -0.00 0.87 -1.16 0.00 0.00 179.01 179.58 1pj0 h LYS 284 N 0.47 0.00 -0.57 2.33 1.57 -0.76 -2.90 116.57 116.72 1pj0 h LYS 284 Ca 0.05 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1pj0 h LYS 284 Cb 0.84 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1pj0 h LYS 284 CO 0.07 0.32 0.39 -0.44 -0.57 0.00 0.00 179.45 179.22 1pj0 h ASP 285 N -0.32 0.32 -0.22 0.86 3.32 -0.85 -0.05 116.42 119.49 1pj0 h ASP 285 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1pj0 h ASP 285 Cb 0.32 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1pj0 h ASP 285 CO 0.00 0.19 0.02 -0.25 -1.72 0.00 0.00 179.24 177.49 1pj0 h TRP 286 N 0.36 0.49 -0.78 4.55 2.91 -1.18 -1.88 115.95 120.41 1pj0 h TRP 286 Ca 0.27 -0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.39 1pj0 h TRP 286 Cb 0.57 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.02 1pj0 h TRP 286 CO -0.00 0.47 0.52 0.00 -1.03 0.00 0.00 178.44 178.40 1pj0 h ALA 287 N 1.57 2.02 0.42 2.65 0.00 -0.89 0.73 119.26 125.75 1pj0 h ALA 287 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pj0 h ALA 287 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pj0 h ALA 287 CO 0.01 -0.23 -0.23 -0.44 0.00 0.00 0.00 179.25 178.35 1pj0 h ASP 288 N 0.50 -0.57 -0.82 0.00 5.19 -1.40 0.18 116.42 119.49 1pj0 h ASP 288 Ca 0.38 0.03 0.18 0.00 -0.62 0.00 0.00 57.03 57.00 1pj0 h ASP 288 Cb 0.78 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.40 1pj0 h ASP 288 CO -0.14 -0.37 0.55 0.22 -3.12 0.00 0.00 179.24 176.38 1pj0 h TYR 289 N -0.60 0.46 -0.22 4.55 3.20 -1.48 -0.91 116.97 121.96 1pj0 h TYR 289 Ca -0.06 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1pj0 h TYR 289 Cb 0.47 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pj0 h TYR 289 CO 0.05 0.15 -0.10 1.25 -1.64 0.00 0.00 178.16 177.87 1pj0 h LEU 290 N 0.37 0.46 -4.08 2.82 5.85 -0.53 -3.25 115.31 116.95 1pj0 h LEU 290 Ca 0.41 -0.41 -0.64 0.00 0.84 0.00 0.00 57.88 58.09 1pj0 h LEU 290 Cb 1.05 -0.13 -0.35 0.00 0.37 0.00 0.00 40.66 41.61 1pj0 h LEU 290 CO -0.13 0.76 0.14 0.49 -0.34 0.00 0.00 178.44 179.36 1pj0 n PHE 291 N -4.54 3.05 0.42 1.25 3.72 0.59 -4.49 117.46 117.46 1pj0 n PHE 291 Ca -0.05 -2.67 0.13 0.00 -0.05 0.00 0.00 57.45 54.81 1pj0 n PHE 291 Cb 0.33 -0.89 0.33 0.00 -0.94 0.00 0.00 39.48 38.30 1pj0 n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1pj0 h ARG 292 N 2.24 0.00 -0.05 -1.08 0.11 -1.24 -3.24 114.38 111.12 1pj0 h ARG 292 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 1pj0 h ARG 292 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1pj0 h ARG 292 CO 1.21 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 181.03 1pj0 n ASP 293 N -2.67 2.15 0.00 0.08 9.92 -1.26 -5.10 116.55 119.67 1pj0 n ASP 293 Ca 0.04 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 1pj0 n ASP 293 Cb 0.45 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1pj0 n ASP 293 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pj0 n GLY 294 N -0.37 3.81 0.98 0.44 0.00 -1.22 -4.83 105.19 103.99 1pj0 n GLY 294 Ca 0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 1pj0 n GLY 294 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pj0 n SER 295 N 0.00 0.75 -3.63 1.61 7.64 -1.26 -4.57 113.62 114.16 1pj0 n SER 295 Ca 0.00 -1.41 -0.16 0.00 1.01 0.00 0.00 58.87 58.31 1pj0 n SER 295 Cb 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1pj0 n SER 295 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pj0 s MET 296 N -2.64 1.59 -0.06 1.43 0.23 -0.86 -4.94 119.30 114.05 1pj0 s MET 296 Ca 0.13 -1.84 -0.29 0.00 -1.03 0.00 0.00 55.69 52.66 1pj0 s MET 296 Cb -0.01 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.55 1pj0 s MET 296 CO 0.09 -0.59 1.98 0.42 -2.03 0.00 0.00 175.02 174.89 1pj0 s ILE 297 N -3.64 3.12 -0.00 3.16 1.01 -1.26 -2.19 121.20 121.39 1pj0 s ILE 297 Ca 0.38 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1pj0 s ILE 297 Cb 0.03 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1pj0 s ILE 297 CO 0.21 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1pj0 n GLY 298 N 4.84 0.47 3.44 6.18 0.00 -1.26 -4.91 105.19 113.95 1pj0 n GLY 298 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1pj0 n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj0 s LEU 299 N -0.01 -0.69 0.33 0.99 2.96 -0.93 -5.02 118.68 116.31 1pj0 s LEU 299 Ca 0.00 1.22 -0.10 0.00 -0.22 0.00 0.00 54.13 55.02 1pj0 s LEU 299 Cb 0.00 1.79 0.02 0.00 0.50 0.00 0.00 46.19 48.50 1pj0 s LEU 299 CO 0.00 -0.22 0.58 0.54 -1.32 0.00 0.00 176.35 175.93 1pj0 s ASN 300 N 2.15 0.32 0.19 3.68 2.20 -1.26 -2.03 114.94 120.20 1pj0 s ASN 300 Ca -0.07 -1.19 -0.16 0.00 -0.94 0.00 0.00 52.86 50.50 1pj0 s ASN 300 Cb -0.10 0.70 0.17 0.00 -2.00 0.00 0.00 41.25 40.03 1pj0 s ASN 300 CO -0.16 -1.38 1.63 0.11 -2.94 0.00 0.00 177.10 174.37 1pj0 h LYS 301 N 2.11 -0.05 0.07 3.55 6.56 -1.93 -1.93 116.57 124.94 1pj0 h LYS 301 Ca -0.28 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1pj0 h LYS 301 Cb 1.25 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 1pj0 h LYS 301 CO 0.37 -0.03 -0.04 -0.44 -2.06 0.00 0.00 179.45 177.26 1pj0 h ASP 302 N -0.05 -0.08 -0.35 0.86 3.32 -1.98 -1.66 116.42 116.48 1pj0 h ASP 302 Ca 0.25 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1pj0 h ASP 302 Cb 0.44 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1pj0 h ASP 302 CO -0.58 0.06 0.20 0.40 -1.72 0.00 0.00 179.24 177.60 1pj0 h ILE 303 N -0.22 1.03 -0.44 0.35 1.08 -1.92 -1.43 117.51 115.94 1pj0 h ILE 303 Ca -0.01 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1pj0 h ILE 303 Cb 0.19 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1pj0 h ILE 303 CO 0.02 0.07 0.28 0.25 -0.69 0.00 0.00 178.15 178.09 1pj0 h LEU 304 N 0.41 0.52 -1.42 1.44 6.46 -1.32 0.17 115.31 121.55 1pj0 h LEU 304 Ca 0.14 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1pj0 h LEU 304 Cb 0.01 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1pj0 h LEU 304 CO -0.07 0.39 0.26 0.00 -0.62 0.00 0.00 178.44 178.40 1pj0 h GLN 306 N 0.66 0.60 -0.60 0.00 1.08 -0.36 -2.07 115.11 114.42 1pj0 h GLN 306 Ca 0.17 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1pj0 h GLN 306 Cb 0.02 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1pj0 h GLN 306 CO -0.03 0.67 0.21 -0.92 -0.95 0.00 0.00 178.83 177.80 1pj0 h TYR 307 N 0.44 0.94 -0.43 2.96 3.20 -0.05 -0.02 116.97 124.00 1pj0 h TYR 307 Ca 0.11 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1pj0 h TYR 307 Cb 0.36 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1pj0 h TYR 307 CO 0.02 0.77 0.26 0.28 -1.64 0.00 0.00 178.16 177.85 1pj0 h VAL 308 N 0.84 1.05 -0.56 1.81 2.07 -0.82 0.93 116.25 121.56 1pj0 h VAL 308 Ca 0.20 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1pj0 h VAL 308 Cb 0.26 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1pj0 h VAL 308 CO -0.01 0.09 0.18 -0.33 0.02 0.00 0.00 177.57 177.52 1pj0 h GLU 309 N 0.52 0.87 0.66 1.57 5.08 -1.08 0.11 114.58 122.31 1pj0 h GLU 309 Ca 0.17 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1pj0 h GLU 309 Cb 0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1pj0 h GLU 309 CO -0.08 0.79 -0.39 -0.92 -1.00 0.00 0.00 179.01 177.42 1pj0 h TYR 310 N 0.79 -1.02 -0.61 4.33 3.20 -0.55 -1.91 116.97 121.20 1pj0 h TYR 310 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1pj0 h TYR 310 Cb 0.28 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1pj0 h TYR 310 CO 0.02 -0.59 0.39 0.82 -1.64 0.00 0.00 178.16 177.15 1pj0 h ILE 311 N -0.98 1.17 -0.53 1.81 1.08 -0.77 -2.88 117.51 116.41 1pj0 h ILE 311 Ca -0.08 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1pj0 h ILE 311 Cb 0.79 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1pj0 h ILE 311 CO 0.10 0.16 0.31 0.74 -0.69 0.00 0.00 178.15 178.78 1pj0 h THR 312 N 0.83 1.05 -0.20 -0.27 2.02 -0.72 -1.46 112.91 114.14 1pj0 h THR 312 Ca 0.22 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1pj0 h THR 312 Cb -0.07 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 1pj0 h THR 312 CO -0.05 0.11 -0.10 0.78 0.37 0.00 0.00 175.52 176.64 1pj0 h ASN 313 N 0.62 -0.33 -0.04 4.18 4.21 -1.14 -0.04 115.58 123.04 1pj0 h ASN 313 Ca 0.22 0.08 0.02 0.00 1.21 0.00 0.00 56.30 57.83 1pj0 h ASN 313 Cb 0.03 0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1pj0 h ASN 313 CO -0.10 -0.13 -0.10 0.40 -1.29 0.00 0.00 177.43 176.21 1pj0 h ILE 314 N -0.08 0.75 -0.46 2.81 2.04 -1.29 -1.58 117.51 119.70 1pj0 h ILE 314 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1pj0 h ILE 314 Cb 0.24 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1pj0 h ILE 314 CO -0.25 0.00 0.19 0.03 0.00 0.00 0.00 178.15 178.12 1pj0 h ARG 315 N -0.15 0.68 -0.74 2.37 2.47 -1.04 -1.80 114.38 116.17 1pj0 h ARG 315 Ca 0.05 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 1pj0 h ARG 315 Cb 0.21 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1pj0 h ARG 315 CO -0.12 0.61 0.29 0.52 0.56 0.00 0.00 179.97 181.83 1pj0 h MET 316 N 0.60 1.12 -0.34 0.04 2.86 -0.88 -2.22 114.93 116.10 1pj0 h MET 316 Ca 0.15 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1pj0 h MET 316 Cb 0.17 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1pj0 h MET 316 CO -0.01 0.92 -0.05 0.37 1.06 0.00 0.00 176.91 179.19 1pj0 h GLN 317 N 1.07 0.56 0.00 1.72 4.15 -1.15 0.98 115.11 122.45 1pj0 h GLN 317 Ca 0.25 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1pj0 h GLN 317 Cb 0.22 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1pj0 h GLN 317 CO -0.02 0.62 -0.03 0.00 -1.93 0.00 0.00 178.83 177.47 1pj0 h ALA 318 N 1.42 1.35 -0.21 3.38 0.00 -0.69 -2.11 119.26 122.40 1pj0 h ALA 318 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pj0 h ALA 318 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pj0 h ALA 318 CO 0.02 0.04 -0.04 1.33 0.00 0.00 0.00 179.25 180.60 1pj0 n VAL 319 N -3.63 2.25 -1.16 0.00 0.24 -0.92 -4.96 118.33 110.14 1pj0 n VAL 319 Ca -0.03 -2.23 -0.04 0.00 -2.04 0.00 0.00 64.34 60.01 1pj0 n VAL 319 Cb 0.13 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.22 1pj0 n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj0 n GLY 320 N -0.90 0.67 3.91 7.63 0.00 -0.79 -4.95 105.19 110.76 1pj0 n GLY 320 Ca 0.23 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1pj0 n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj0 s LEU 321 N -0.93 4.36 0.62 0.99 1.43 0.30 -4.99 118.68 120.46 1pj0 s LEU 321 Ca 0.00 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 1pj0 s LEU 321 Cb 0.00 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1pj0 s LEU 321 CO 0.00 0.21 1.23 -1.81 0.23 0.00 0.00 176.35 176.21 1pj0 s ASP 322 N -2.24 4.97 -0.15 2.29 1.01 -1.26 -3.73 116.67 117.56 1pj0 s ASP 322 Ca 0.31 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 55.73 1pj0 s ASP 322 Cb -0.13 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 1pj0 s ASP 322 CO 0.24 -1.75 1.23 -0.76 0.21 0.00 0.00 175.17 174.34 1pj0 s LEU 323 N -4.22 4.20 0.35 1.23 1.43 -1.26 -4.84 118.68 115.57 1pj0 s LEU 323 Ca 0.79 1.69 0.23 0.00 -1.03 0.00 0.00 54.13 55.81 1pj0 s LEU 323 Cb -0.32 -3.54 0.32 0.00 0.03 0.00 0.00 46.19 42.67 1pj0 s LEU 323 CO 0.36 -0.71 1.49 1.55 0.23 0.00 0.00 176.35 179.27 1pj0 h PRO 324 N 7.96 0.00 -6.18 1.29 0.13 -1.93 -3.47 132.00 129.79 1pj0 h PRO 324 Ca -0.27 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 1pj0 h PRO 324 Cb 1.11 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.12 1pj0 h PRO 324 CO 0.95 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.94 1pj0 s PHE 325 N -3.23 2.41 0.18 1.56 0.08 -1.26 -5.10 117.98 112.62 1pj0 s PHE 325 Ca 0.06 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 1pj0 s PHE 325 Cb 0.07 -1.09 -0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1pj0 s PHE 325 CO 0.69 0.67 1.33 0.54 -0.10 0.00 0.00 175.22 178.35 1pj0 s ASN 326 N -3.57 6.88 0.60 1.36 2.20 -1.26 -4.96 114.94 116.19 1pj0 s ASN 326 Ca 0.31 2.38 -0.20 0.00 -0.94 0.00 0.00 52.86 54.41 1pj0 s ASN 326 Cb -0.05 -2.60 -0.03 0.00 -2.00 0.00 0.00 41.25 36.57 1pj0 s ASN 326 CO 0.17 -0.56 1.30 -0.89 -2.94 0.00 0.00 177.10 174.18 1pj0 s THR 327 N 0.37 2.15 0.13 0.54 2.01 -1.26 -4.94 115.64 114.64 1pj0 s THR 327 Ca 0.59 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 1pj0 s THR 327 Cb -0.37 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.17 1pj0 s THR 327 CO 0.36 -0.01 0.80 0.00 -0.69 0.00 0.00 174.62 175.08 1pj0 s ARG 328 N -3.19 1.21 0.53 4.92 1.70 -1.26 -5.16 118.95 117.70 1pj0 s ARG 328 Ca 0.78 -0.56 -0.04 0.00 -0.47 0.00 0.00 55.73 55.44 1pj0 s ARG 328 Cb -0.37 0.49 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1pj0 s ARG 328 CO 0.41 -0.54 0.81 -1.54 -1.08 0.00 0.00 175.30 173.36 1pj0 s SER 329 N -2.75 5.75 -0.32 -2.89 1.04 -1.26 -4.95 113.70 108.33 1pj0 s SER 329 Ca 0.07 0.60 -0.40 0.00 0.48 0.00 0.00 55.95 56.70 1pj0 s SER 329 Cb -0.02 -1.72 -0.15 0.00 0.10 0.00 0.00 66.02 64.23 1pj0 s SER 329 CO -0.04 -0.88 1.85 -3.20 0.98 0.00 0.00 173.24 171.94 1pj0 n ASN 330 N -2.38 2.21 0.24 7.02 4.05 -1.26 -4.84 115.26 120.30 1pj0 n ASN 330 Ca 0.03 0.93 0.10 0.00 0.45 0.00 0.00 54.58 56.10 1pj0 n ASN 330 Cb 0.57 -1.14 0.56 0.00 1.23 0.00 0.00 39.78 41.01 1pj0 n ASN 330 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1pj0 h PRO 331 N 8.21 0.00 -2.08 1.20 0.11 -1.92 -3.32 132.00 134.19 1pj0 h PRO 331 Ca -0.40 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.13 1pj0 h PRO 331 Cb 1.33 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.03 1pj0 h PRO 331 CO 0.98 0.20 -0.89 0.44 -0.21 0.00 0.00 178.00 178.52 1pj0 n ILE 332 N -3.55 0.66 -0.20 4.15 -5.35 -1.26 -4.95 119.36 108.87 1pj0 n ILE 332 Ca -0.01 -4.57 0.28 0.00 -0.27 0.00 0.00 62.75 58.18 1pj0 n ILE 332 Cb 0.35 -1.92 0.69 0.00 -1.74 0.00 0.00 39.64 37.02 1pj0 n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1pj0 h PRO 333 N 3.99 0.06 -0.04 6.28 0.11 -1.98 -1.00 132.00 139.42 1pj0 h PRO 333 Ca 0.12 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1pj0 h PRO 333 Cb 0.78 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1pj0 h PRO 333 CO 0.62 0.04 0.08 0.11 -0.21 0.00 0.00 178.00 178.64 1pj0 h TRP 334 N 0.06 0.00 0.00 0.65 5.08 -1.94 -1.21 115.95 118.59 1pj0 h TRP 334 Ca 0.44 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.38 1pj0 h TRP 334 Cb 1.67 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.82 1pj0 h TRP 334 CO -0.00 0.00 -0.17 0.97 -1.28 0.00 0.00 178.44 177.96 1pj0 h ILE 335 N 0.00 0.56 -0.15 0.12 2.10 -1.61 -2.53 117.51 116.01 1pj0 h ILE 335 Ca 0.02 -0.81 0.04 0.00 1.08 0.00 0.00 64.86 65.20 1pj0 h ILE 335 Cb 0.17 1.53 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 1pj0 h ILE 335 CO -0.00 0.17 0.20 0.78 -1.08 0.00 0.00 178.15 178.22 1pj0 h ASN 336 N 0.00 0.00 0.24 2.19 -0.26 -1.41 0.84 115.58 117.19 1pj0 h ASN 336 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1pj0 h ASN 336 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1pj0 h ASN 336 CO 0.02 0.00 -0.22 0.74 -1.06 0.00 0.00 177.43 176.91 1pj0 h THR 337 N 0.00 1.12 0.00 2.81 2.02 -1.64 -3.12 112.91 114.10 1pj0 h THR 337 Ca 0.07 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1pj0 h THR 337 Cb 0.47 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1pj0 h THR 337 CO -0.00 0.22 -1.27 0.79 0.37 0.00 0.00 175.52 175.63 1pj0 n TRP 338 N -4.21 0.00 -4.04 3.16 7.02 0.24 -5.00 117.44 114.61 1pj0 n TRP 338 Ca -0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.13 1pj0 n TRP 338 Cb 0.28 -0.18 -0.06 0.00 -2.42 0.00 0.00 31.31 28.93 1pj0 n TRP 338 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1pj0 s LEU 339 N -3.46 4.03 0.00 -0.99 1.02 -0.87 -4.80 118.68 113.60 1pj0 s LEU 339 Ca 0.01 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.35 1pj0 s LEU 339 Cb 0.13 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.93 1pj0 s LEU 339 CO 0.75 0.26 0.35 0.52 0.02 0.00 0.00 176.35 178.25