#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 3.62 0.00 0.00 5.04 -1.26 -5.05 117.35 119.70 1pj0 s TYR 2 Ca 0.00 1.75 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 1pj0 s TYR 2 Cb 0.00 -2.91 -0.00 0.00 0.35 0.00 0.00 41.96 39.40 1pj0 s TYR 2 CO 0.00 0.15 -0.04 -0.08 -1.34 0.00 0.00 175.55 174.25 1pj0 s THR 3 N -1.72 0.30 -0.76 4.34 -1.32 -1.26 -5.02 115.64 110.21 1pj0 s THR 3 Ca 0.52 -0.25 0.23 0.00 -1.21 0.00 0.00 61.69 60.99 1pj0 s THR 3 Cb -0.17 -0.28 0.23 0.00 -1.51 0.00 0.00 72.50 70.78 1pj0 s THR 3 CO 0.22 0.03 1.72 0.35 -2.21 0.00 0.00 174.62 174.73 1pj0 n THR 4 N 2.84 0.65 -3.21 5.08 -2.24 -1.26 -4.41 114.28 111.72 1pj0 n THR 4 Ca -0.14 0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 1pj0 n THR 4 Cb 0.58 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 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 -3.13 -1.45 0.19 4.78 5.36 -1.26 -4.87 117.98 117.59 1pj0 s PHE 5 Ca 0.08 -0.00 -0.32 0.00 -0.96 0.00 0.00 56.93 55.73 1pj0 s PHE 5 Cb 0.12 0.18 -0.11 0.00 -0.34 0.00 0.00 43.02 42.87 1pj0 s PHE 5 CO 0.45 -1.15 1.65 -1.54 -1.46 0.00 0.00 175.22 173.17 1pj0 s SER 6 N 1.70 6.48 0.00 6.13 1.04 -1.26 -4.90 113.70 122.89 1pj0 s SER 6 Ca 0.17 2.74 0.23 0.00 0.48 0.00 0.00 55.95 59.57 1pj0 s SER 6 Cb -0.06 -2.60 1.04 0.00 0.10 0.00 0.00 66.02 64.51 1pj0 s SER 6 CO -0.06 -0.90 1.71 0.00 0.98 0.00 0.00 173.24 174.97 1pj0 n GLN 7 N 3.98 1.41 -3.06 4.02 1.13 -1.26 -4.71 117.38 118.89 1pj0 n GLN 7 Ca 0.15 -0.61 -0.40 0.00 -1.94 0.00 0.00 57.00 54.19 1pj0 n GLN 7 Cb 0.37 -1.39 -0.05 0.00 0.11 0.00 0.00 30.24 29.28 1pj0 n GLN 7 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1pj0 s THR 8 N -1.91 4.98 -0.39 5.09 2.01 -1.26 -4.99 115.64 119.17 1pj0 s THR 8 Ca 0.34 1.30 -0.28 0.00 0.31 0.00 0.00 61.69 63.35 1pj0 s THR 8 Cb 0.17 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1pj0 s THR 8 CO 0.27 0.09 1.70 -0.75 -0.69 0.00 0.00 174.62 175.24 1pj0 s LYS 9 N 1.99 3.31 0.25 4.92 2.20 -1.26 -4.96 119.74 126.18 1pj0 s LYS 9 Ca 0.31 1.18 0.10 0.00 -0.36 0.00 0.00 55.97 57.21 1pj0 s LYS 9 Cb -0.16 -4.18 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 1pj0 s LYS 9 CO 0.11 -1.89 -0.18 0.54 -0.36 0.00 0.00 175.35 173.57 1pj0 s ASN 10 N 5.75 3.15 -0.58 1.43 4.22 -1.26 -5.08 114.94 122.58 1pj0 s ASN 10 Ca 0.73 -1.02 -0.23 0.00 -2.14 0.00 0.00 52.86 50.20 1pj0 s ASN 10 Cb -0.19 -0.23 0.05 0.00 1.28 0.00 0.00 41.25 42.17 1pj0 s ASN 10 CO 0.32 -0.05 0.89 -0.62 -2.04 0.00 0.00 177.10 175.60 1pj0 s ASP 11 N -3.40 6.27 0.61 3.54 -1.08 -1.26 -4.89 116.67 116.46 1pj0 s ASP 11 Ca 0.26 -0.65 0.39 0.00 -0.52 0.00 0.00 52.55 52.04 1pj0 s ASP 11 Cb -0.03 -2.41 1.89 0.00 -1.46 0.00 0.00 42.92 40.91 1pj0 s ASP 11 CO 0.11 -1.23 2.18 1.56 0.52 0.00 0.00 175.17 178.30 1pj0 h GLN 12 N 9.33 0.00 0.00 4.34 4.20 -1.97 -1.94 115.11 129.07 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 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1pj0 h GLN 12 CO 1.10 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.19 1pj0 h LEU 13 N 0.00 0.00 -1.15 1.46 3.38 -1.95 -3.18 115.31 113.87 1pj0 h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pj0 h LEU 13 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pj0 h LEU 13 CO 0.00 0.00 -0.28 0.29 0.09 0.00 0.00 178.44 178.54 1pj0 n LYS 14 N -3.03 1.57 -1.99 1.13 5.02 -0.74 -4.75 118.16 115.37 1pj0 n LYS 14 Ca 0.02 -1.09 -0.32 0.00 -2.02 0.00 0.00 58.31 54.90 1pj0 n LYS 14 Cb 0.38 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.97 3.36 0.79 1.97 0.41 -1.19 -5.04 118.70 117.02 1pj0 s GLU 15 Ca 0.17 1.08 -0.11 0.00 -0.41 0.00 0.00 54.97 55.70 1pj0 s GLU 15 Cb 0.15 -2.04 0.08 0.00 -1.78 0.00 0.00 34.13 30.53 1pj0 s GLU 15 CO 0.40 -0.77 1.15 -1.25 -0.49 0.00 0.00 175.26 174.31 1pj0 s PRO 16 N -4.35 2.02 0.16 0.39 0.04 -1.26 -4.93 135.00 127.08 1pj0 s PRO 16 Ca 0.61 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 1pj0 s PRO 16 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1pj0 s PRO 16 CO 0.41 -1.52 1.75 0.52 0.04 0.00 0.00 177.00 178.19 1pj0 h MET 17 N -0.97 0.77 -5.73 4.56 2.86 -1.96 -3.38 114.93 111.08 1pj0 h MET 17 Ca -0.46 -0.11 -0.48 0.00 -2.06 0.00 0.00 59.70 56.59 1pj0 h MET 17 Cb 1.33 -0.14 -0.17 0.00 0.06 0.00 0.00 31.60 32.67 1pj0 h MET 17 CO 0.65 0.63 -0.77 -0.06 1.06 0.00 0.00 176.91 178.42 1pj0 s PHE 18 N -5.73 1.70 -0.29 -0.22 0.08 -1.26 -0.78 117.98 111.48 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 0.12 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1pj0 s PHE 18 CO 0.77 0.29 0.00 1.19 -0.10 0.00 0.00 175.22 177.37 1pj0 n PHE 19 N 0.19 0.00 -1.23 0.36 3.72 0.64 -4.84 117.46 116.30 1pj0 n PHE 19 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1pj0 n PHE 19 Cb 0.58 -1.47 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 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 -0.73 1.03 3.76 1.37 0.00 -1.26 -5.02 105.19 104.35 1pj0 n GLY 20 Ca -0.03 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 2.01 4.32 0.45 1.61 0.74 -1.26 -4.80 119.66 122.72 1pj0 s GLN 21 Ca 0.00 2.25 -0.25 0.00 0.05 0.00 0.00 55.36 57.41 1pj0 s GLN 21 Cb 0.00 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.93 1pj0 s GLN 21 CO 0.00 -0.29 1.28 -2.30 -0.55 0.00 0.00 175.29 173.43 1pj0 n PRO 22 N 1.45 1.87 -1.89 1.67 -0.02 -1.26 -4.47 135.00 132.35 1pj0 n PRO 22 Ca 0.03 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1pj0 n PRO 22 Cb 0.41 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.23 2.83 0.00 -1.45 1.01 -1.25 -4.49 120.40 115.82 1pj0 s VAL 23 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1pj0 s VAL 23 Cb -0.49 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pj0 s VAL 23 CO 0.56 0.01 0.00 -0.46 0.00 0.00 0.00 175.10 175.21 1pj0 n ASN 24 N 5.15 0.00 -4.72 3.32 0.23 -1.26 -4.56 115.26 113.41 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 0.39 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.03 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 -0.06 4.38 -0.52 3.53 1.01 -1.26 -4.93 120.40 122.55 1pj0 s VAL 25 Ca 0.00 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1pj0 s VAL 25 Cb 0.00 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1pj0 s VAL 25 CO 0.00 0.21 0.63 0.00 0.00 0.00 0.00 175.10 175.94 1pj0 s ALA 26 N 0.53 3.40 0.09 5.51 0.00 -1.26 -4.84 121.76 125.19 1pj0 s ALA 26 Ca 0.52 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1pj0 s ALA 26 Cb -0.25 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1pj0 s ALA 26 CO 0.30 -2.06 -0.22 -0.98 0.00 0.00 0.00 175.76 172.81 1pj0 s ARG 27 N 2.59 1.21 -0.07 0.00 1.70 -1.26 -5.05 118.95 118.06 1pj0 s ARG 27 Ca 0.14 -1.14 0.10 0.00 -0.47 0.00 0.00 55.73 54.36 1pj0 s ARG 27 Cb -0.20 -1.47 0.17 0.00 -0.57 0.00 0.00 34.95 32.88 1pj0 s ARG 27 CO 0.10 0.35 1.08 0.66 -1.08 0.00 0.00 175.30 176.42 1pj0 n TYR 28 N 1.22 0.00 0.98 5.89 4.01 -1.26 -4.72 117.16 123.28 1pj0 n TYR 28 Ca -0.19 -0.55 0.13 0.00 -0.16 0.00 0.00 57.90 57.13 1pj0 n TYR 28 Cb 0.53 -0.11 0.36 0.00 -0.31 0.00 0.00 39.34 39.82 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 -0.72 0.36 -3.74 7.72 5.75 -1.26 -4.91 116.55 119.75 1pj0 n ASP 29 Ca 0.09 -0.01 -0.09 0.00 -0.01 0.00 0.00 54.79 54.77 1pj0 n ASP 29 Cb 0.68 0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.76 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 -3.01 1.53 -0.02 0.11 -2.07 -1.26 -5.19 119.66 109.76 1pj0 s GLN 30 Ca 0.12 -0.86 -0.29 0.00 -1.82 0.00 0.00 55.36 52.52 1pj0 s GLN 30 Cb 0.18 0.57 0.10 0.00 -1.09 0.00 0.00 33.01 32.76 1pj0 s GLN 30 CO 0.65 -0.68 0.84 1.14 -1.32 0.00 0.00 175.29 175.92 1pj0 s GLN 31 N -3.88 0.87 0.09 9.60 0.00 -1.26 -4.91 119.66 120.17 1pj0 s GLN 31 Ca 0.09 -0.14 -0.15 0.00 -0.00 0.00 0.00 55.36 55.16 1pj0 s GLN 31 Cb -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 33.01 33.25 1pj0 s GLN 31 CO -0.00 -0.34 1.33 -0.22 0.00 0.00 0.00 175.29 176.05 1pj0 h LYS 32 N 2.27 0.70 -4.07 9.60 3.64 -1.85 -3.40 116.57 123.46 1pj0 h LYS 32 Ca -0.24 -0.49 -0.60 0.00 -1.27 0.00 0.00 60.65 58.05 1pj0 h LYS 32 Cb 1.22 0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 32.72 1pj0 h LYS 32 CO 0.33 1.11 -0.76 0.71 -2.27 0.00 0.00 179.45 178.58 1pj0 s TYR 33 N -3.94 2.31 0.07 1.91 2.02 -1.26 -5.00 117.35 113.46 1pj0 s TYR 33 Ca -0.12 -1.92 0.32 0.00 -0.37 0.00 0.00 57.07 54.99 1pj0 s TYR 33 Cb 0.08 -1.85 1.54 0.00 -0.40 0.00 0.00 41.96 41.33 1pj0 s TYR 33 CO 0.86 -0.83 1.98 0.38 -1.57 0.00 0.00 175.55 176.36 1pj0 h ASP 34 N 7.96 0.00 -0.84 2.29 -0.00 -1.99 -2.93 116.42 120.92 1pj0 h ASP 34 Ca -0.13 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 56.99 1pj0 h ASP 34 Cb 1.05 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.32 1pj0 h ASP 34 CO 0.45 0.00 0.54 -0.29 -0.00 0.00 0.00 179.24 179.94 1pj0 h ILE 35 N 0.00 0.96 -0.25 4.15 6.09 -1.98 0.14 117.51 126.62 1pj0 h ILE 35 Ca 0.00 -0.27 -0.13 0.00 -1.37 0.00 0.00 64.86 63.08 1pj0 h ILE 35 Cb 0.26 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.63 1pj0 h ILE 35 CO 0.00 0.15 -0.40 -0.26 -3.07 0.00 0.00 178.15 174.56 1pj0 h PHE 36 N 0.80 0.69 -0.43 2.19 0.04 -1.86 0.25 116.94 118.62 1pj0 h PHE 36 Ca 0.38 -0.20 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 1pj0 h PHE 36 Cb 0.42 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1pj0 h PHE 36 CO -0.00 0.90 -0.23 1.49 -0.60 0.00 0.00 178.31 179.86 1pj0 h GLU 37 N 0.48 0.88 -0.73 1.51 4.57 -1.43 -0.79 114.58 119.07 1pj0 h GLU 37 Ca 0.04 -0.37 -0.06 0.00 -1.18 0.00 0.00 59.36 57.79 1pj0 h GLU 37 Cb 0.91 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 1pj0 h GLU 37 CO 0.08 1.02 0.21 0.87 -1.18 0.00 0.00 179.01 180.01 1pj0 h LYS 38 N 0.76 1.14 -0.68 1.92 1.79 -0.70 -0.96 116.57 119.84 1pj0 h LYS 38 Ca 0.10 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 1pj0 h LYS 38 Cb 0.78 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1pj0 h LYS 38 CO 0.06 0.98 0.11 -0.07 -1.08 0.00 0.00 179.45 179.46 1pj0 h LEU 39 N 1.09 1.07 -0.03 2.94 3.38 -0.68 -0.53 115.31 122.56 1pj0 h LEU 39 Ca 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pj0 h LEU 39 Cb 0.33 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1pj0 h LEU 39 CO -0.00 1.06 0.01 0.40 0.09 0.00 0.00 178.44 180.00 1pj0 h ILE 40 N 1.04 1.06 -0.47 1.22 2.04 -0.75 -0.11 117.51 121.53 1pj0 h ILE 40 Ca 0.21 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1pj0 h ILE 40 Cb 0.44 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1pj0 h ILE 40 CO 0.01 0.04 0.18 -0.33 0.00 0.00 0.00 178.15 178.06 1pj0 h GLU 41 N -0.03 0.35 -0.12 2.37 5.08 -0.98 -0.64 114.58 120.62 1pj0 h GLU 41 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pj0 h GLU 41 Cb 0.06 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pj0 h GLU 41 CO -0.00 0.23 0.02 -0.22 -1.00 0.00 0.00 179.01 178.04 1pj0 h LYS 42 N 0.36 0.19 -0.96 2.33 1.63 -0.86 -2.24 116.57 117.02 1pj0 h LYS 42 Ca 0.22 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1pj0 h LYS 42 Cb 0.21 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 1pj0 h LYS 42 CO -0.21 0.38 0.63 0.37 -3.45 0.00 0.00 179.45 177.16 1pj0 h GLN 43 N -0.03 1.20 -0.20 1.90 5.75 -0.77 -1.05 115.11 121.91 1pj0 h GLN 43 Ca 0.04 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1pj0 h GLN 43 Cb 0.28 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pj0 h GLN 43 CO 0.00 0.79 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.82 1pj0 h LEU 44 N 1.23 0.29 -0.23 -2.39 3.38 -0.98 -1.56 115.31 115.05 1pj0 h LEU 44 Ca 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1pj0 h LEU 44 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pj0 h LEU 44 CO -0.11 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1pj0 n SER 45 N -4.29 0.65 -0.91 -0.43 3.41 -0.46 -3.05 113.62 108.55 1pj0 n SER 45 Ca -0.00 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 1pj0 n SER 45 Cb 0.25 -0.76 0.21 0.00 -0.26 0.00 0.00 64.21 63.66 1pj0 n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1pj0 n PHE 46 N -2.15 0.14 -1.62 7.33 3.72 -0.60 -4.99 117.46 119.29 1pj0 n PHE 46 Ca 0.04 -0.07 -0.48 0.00 -0.05 0.00 0.00 57.45 56.90 1pj0 n PHE 46 Cb 0.34 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.13 1.76 -4.09 1.38 -0.00 -1.14 -4.98 117.46 111.52 1pj0 n PHE 47 Ca 0.16 0.53 -0.07 0.00 -0.00 0.00 0.00 57.45 58.07 1pj0 n PHE 47 Cb 0.55 -2.39 -0.10 0.00 -0.00 0.00 0.00 39.48 37.54 1pj0 n PHE 47 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1pj0 s PHE 48 N 0.17 0.52 -0.40 -5.13 -0.12 -1.26 -5.12 117.98 106.63 1pj0 s PHE 48 Ca 0.75 -1.07 -0.07 0.00 -0.05 0.00 0.00 56.93 56.49 1pj0 s PHE 48 Cb -0.78 -0.39 0.08 0.00 -0.63 0.00 0.00 43.02 41.30 1pj0 s PHE 48 CO 0.48 -0.38 0.22 0.50 -0.05 0.00 0.00 175.22 175.99 1pj0 s ARG 49 N -3.91 2.45 0.17 1.99 6.06 -1.26 -5.00 118.95 119.45 1pj0 s ARG 49 Ca 0.07 -1.51 -0.21 0.00 -2.50 0.00 0.00 55.73 51.57 1pj0 s ARG 49 Cb 0.08 -3.66 0.08 0.00 0.06 0.00 0.00 34.95 31.50 1pj0 s ARG 49 CO -0.10 -0.94 1.61 -1.35 -2.50 0.00 0.00 175.30 172.03 1pj0 h PRO 50 N 8.28 -0.20 0.00 5.12 0.11 -1.94 -1.69 132.00 141.68 1pj0 h PRO 50 Ca -0.20 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1pj0 h PRO 50 Cb 1.07 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pj0 h PRO 50 CO 0.72 -0.13 0.04 0.93 -0.21 0.00 0.00 178.00 179.35 1pj0 h GLU 51 N -0.20 0.00 0.00 1.05 3.07 -1.94 -0.89 114.58 115.67 1pj0 h GLU 51 Ca 0.18 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 1pj0 h GLU 51 Cb 0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1pj0 h GLU 51 CO -0.50 0.00 -0.54 0.93 -1.40 0.00 0.00 179.01 177.50 1pj0 h GLU 52 N 0.00 0.00 -6.28 2.33 5.08 -1.73 -3.43 114.58 110.54 1pj0 h GLU 52 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1pj0 h GLU 52 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1pj0 h GLU 52 CO 0.00 0.54 0.91 0.08 -1.00 0.00 0.00 179.01 179.54 1pj0 s VAL 53 N -3.71 3.87 -0.04 3.13 1.01 -0.34 -4.97 120.40 119.35 1pj0 s VAL 53 Ca -0.01 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1pj0 s VAL 53 Cb 0.13 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1pj0 s VAL 53 CO 0.75 -0.06 1.51 -0.62 0.00 0.00 0.00 175.10 176.68 1pj0 s ASP 54 N 2.26 6.77 -0.04 3.32 2.15 -1.26 -4.86 116.67 125.00 1pj0 s ASP 54 Ca 0.63 2.14 0.06 0.00 0.43 0.00 0.00 52.55 55.81 1pj0 s ASP 54 Cb -0.29 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 39.88 1pj0 s ASP 54 CO 0.24 -0.82 0.97 1.33 -0.17 0.00 0.00 175.17 176.72 1pj0 n VAL 55 N 5.09 1.02 -0.11 1.11 0.24 -1.26 -4.18 118.33 120.25 1pj0 n VAL 55 Ca 0.15 -1.15 -0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1pj0 n VAL 55 Cb 0.43 0.34 0.27 0.00 -1.47 0.00 0.00 33.84 33.41 1pj0 n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1pj0 h SER 56 N 0.00 0.69 0.42 -1.34 4.64 -1.92 -1.40 113.55 114.64 1pj0 h SER 56 Ca 0.00 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1pj0 h SER 56 Cb 0.84 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1pj0 h SER 56 CO 0.00 0.61 -0.27 -0.09 -0.87 0.00 0.00 176.83 176.21 1pj0 h ARG 57 N 0.76 0.00 -0.18 4.77 1.12 -1.97 -2.95 114.38 115.93 1pj0 h ARG 57 Ca 0.19 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 1pj0 h ARG 57 Cb 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1pj0 h ARG 57 CO -0.02 0.27 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.50 1pj0 h ASP 58 N 0.00 0.30 -0.29 -3.80 5.19 -1.59 -2.31 116.42 113.91 1pj0 h ASP 58 Ca -0.00 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1pj0 h ASP 58 Cb 0.56 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1pj0 h ASP 58 CO 0.04 0.49 0.13 -0.09 -3.12 0.00 0.00 179.24 176.69 1pj0 h ARG 59 N 0.29 0.43 0.52 3.56 2.43 -1.52 0.74 114.38 120.81 1pj0 h ARG 59 Ca 0.05 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1pj0 h ARG 59 Cb 0.47 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1pj0 h ARG 59 CO 0.03 0.42 -0.29 0.82 -1.51 0.00 0.00 179.97 179.44 1pj0 h ILE 60 N 0.33 0.41 -0.31 1.20 2.04 -1.64 -1.50 117.51 118.05 1pj0 h ILE 60 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1pj0 h ILE 60 Cb 0.14 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 1pj0 h ILE 60 CO -0.01 0.00 -0.42 0.44 0.00 0.00 0.00 178.15 178.16 1pj0 h ASP 61 N -0.75 -1.38 0.06 1.72 5.19 -1.28 -1.32 116.42 118.66 1pj0 h ASP 61 Ca -0.06 0.20 0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1pj0 h ASP 61 Cb 0.60 0.59 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 1pj0 h ASP 61 CO 0.08 -0.39 -0.24 0.22 -3.12 0.00 0.00 179.24 175.79 1pj0 h TYR 62 N -0.38 -0.65 -0.78 4.55 3.20 -0.74 -1.87 116.97 120.30 1pj0 h TYR 62 Ca 0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1pj0 h TYR 62 Cb 0.60 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1pj0 h TYR 62 CO -0.57 -0.34 0.51 -0.56 -1.64 0.00 0.00 178.16 175.56 1pj0 h GLN 63 N -0.42 0.97 0.00 1.82 3.07 -1.05 -0.49 115.11 119.02 1pj0 h GLN 63 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1pj0 h GLN 63 Cb 0.47 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1pj0 h GLN 63 CO -0.17 0.65 0.00 0.00 0.09 0.00 0.00 178.83 179.39 1pj0 n ALA 64 N -2.42 2.09 -1.77 0.06 0.00 -0.52 -4.83 120.51 113.12 1pj0 n ALA 64 Ca 0.09 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1pj0 n ALA 64 Cb 0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1pj0 n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pj0 s LEU 65 N -2.81 4.41 0.41 0.00 1.02 -0.19 -4.97 118.68 116.55 1pj0 s LEU 65 Ca 0.16 2.54 -0.26 0.00 0.02 0.00 0.00 54.13 56.58 1pj0 s LEU 65 Cb 0.15 -3.71 -0.10 0.00 0.02 0.00 0.00 46.19 42.55 1pj0 s LEU 65 CO 0.38 -0.48 1.39 -2.65 0.02 0.00 0.00 176.35 175.01 1pj0 n PRO 66 N 0.74 2.26 -0.33 1.29 -0.02 -1.26 -4.67 135.00 133.01 1pj0 n PRO 66 Ca 0.01 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.50 1pj0 n PRO 66 Cb 0.43 -2.54 0.44 0.00 -0.02 0.00 0.00 33.50 31.82 1pj0 n PRO 66 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pj0 h GLU 67 N 2.43 0.32 0.00 -0.52 4.39 -1.94 0.25 114.58 119.50 1pj0 h GLU 67 Ca -0.49 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.09 1pj0 h GLU 67 Cb 1.27 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1pj0 h GLU 67 CO 0.62 0.21 -0.44 1.12 -1.16 0.00 0.00 179.01 179.35 1pj0 h HIS 68 N 0.33 0.00 0.01 4.33 2.07 -1.88 -1.91 115.15 118.09 1pj0 h HIS 68 Ca 0.71 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 58.03 1pj0 h HIS 68 Cb 1.57 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.53 1pj0 h HIS 68 CO -0.04 0.44 -0.89 0.93 -3.07 0.00 0.00 177.93 175.30 1pj0 h GLU 69 N 0.00 0.13 -0.57 5.12 5.08 -0.90 -1.78 114.58 121.66 1pj0 h GLU 69 Ca -0.00 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1pj0 h GLU 69 Cb 0.87 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1pj0 h GLU 69 CO 0.06 0.93 -0.02 0.87 -1.00 0.00 0.00 179.01 179.85 1pj0 h LYS 70 N 0.07 1.00 -0.20 2.33 1.57 -0.94 -0.01 116.57 120.39 1pj0 h LYS 70 Ca -0.04 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1pj0 h LYS 70 Cb 1.53 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1pj0 h LYS 70 CO 0.13 0.99 0.08 1.25 -0.57 0.00 0.00 179.45 181.33 1pj0 h HIS 71 N 0.91 0.29 0.28 -1.35 2.76 -1.22 0.54 115.15 117.38 1pj0 h HIS 71 Ca 0.16 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1pj0 h HIS 71 Cb 0.55 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1pj0 h HIS 71 CO 0.04 0.34 -0.15 0.82 -1.30 0.00 0.00 177.93 177.67 1pj0 h ILE 72 N 0.17 0.69 0.13 6.26 2.04 -1.11 -0.46 117.51 125.23 1pj0 h ILE 72 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1pj0 h ILE 72 Cb 0.16 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1pj0 h ILE 72 CO -0.01 0.00 -0.15 0.15 0.00 0.00 0.00 178.15 178.14 1pj0 h PHE 73 N -0.40 -0.40 -0.40 1.37 3.57 -0.92 -2.18 116.94 117.58 1pj0 h PHE 73 Ca -0.03 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1pj0 h PHE 73 Cb 0.32 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1pj0 h PHE 73 CO -0.07 -0.23 -0.17 0.97 -2.23 0.00 0.00 178.31 176.57 1pj0 h ILE 74 N -0.33 1.26 -0.65 1.41 6.09 -0.87 -1.54 117.51 122.88 1pj0 h ILE 74 Ca 0.01 -1.25 -0.05 0.00 -1.37 0.00 0.00 64.86 62.20 1pj0 h ILE 74 Cb 0.32 1.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 1pj0 h ILE 74 CO -0.05 0.42 0.23 0.28 -3.07 0.00 0.00 178.15 175.95 1pj0 h SER 75 N 0.67 0.92 -0.47 2.19 0.02 -1.02 0.07 113.55 115.93 1pj0 h SER 75 Ca 0.10 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1pj0 h SER 75 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1pj0 h SER 75 CO 0.05 0.87 0.15 -1.13 -1.14 0.00 0.00 176.83 175.62 1pj0 h ASN 76 N 0.93 0.69 -0.49 3.07 -1.24 -1.19 -2.50 115.58 114.85 1pj0 h ASN 76 Ca 0.21 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1pj0 h ASN 76 Cb 0.26 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1pj0 h ASN 76 CO -0.01 0.72 0.24 0.25 -1.29 0.00 0.00 177.43 177.33 1pj0 h LEU 77 N 0.63 0.63 -1.07 0.34 5.85 -0.96 -1.87 115.31 118.86 1pj0 h LEU 77 Ca 0.15 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pj0 h LEU 77 Cb 0.27 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1pj0 h LEU 77 CO -0.00 0.58 0.63 0.11 -0.34 0.00 0.00 178.44 179.41 1pj0 h LYS 78 N 0.64 1.23 -0.13 1.25 1.57 -0.84 -0.03 116.57 120.26 1pj0 h LYS 78 Ca 0.17 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1pj0 h LYS 78 Cb 0.11 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1pj0 h LYS 78 CO -0.02 0.81 0.02 -0.92 -0.57 0.00 0.00 179.45 178.77 1pj0 h TYR 79 N 1.26 0.24 -0.81 -1.35 3.20 -1.13 -0.98 116.97 117.40 1pj0 h TYR 79 Ca 0.36 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1pj0 h TYR 79 Cb -0.10 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1pj0 h TYR 79 CO -0.00 0.41 0.49 1.96 -1.64 0.00 0.00 178.16 179.38 1pj0 h GLN 80 N -0.00 0.87 -0.84 1.82 4.20 -0.98 -0.34 115.11 119.83 1pj0 h GLN 80 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1pj0 h GLN 80 Cb 0.30 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1pj0 h GLN 80 CO 0.00 0.58 0.45 1.15 -0.67 0.00 0.00 178.83 180.34 1pj0 h THR 81 N 0.90 1.25 0.23 -0.54 2.02 -0.74 -0.73 112.91 115.29 1pj0 h THR 81 Ca 0.35 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1pj0 h THR 81 Cb 0.17 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1pj0 h THR 81 CO -0.17 0.28 -0.11 0.25 0.37 0.00 0.00 175.52 176.13 1pj0 h LEU 82 N 1.18 -0.26 -0.92 2.58 5.85 -0.02 -1.52 115.31 122.19 1pj0 h LEU 82 Ca 0.29 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1pj0 h LEU 82 Cb 0.04 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1pj0 h LEU 82 CO -0.05 -0.09 0.58 -0.07 -0.34 0.00 0.00 178.44 178.48 1pj0 h LEU 83 N -0.43 0.95 -0.77 2.25 3.38 -0.79 -2.00 115.31 117.90 1pj0 h LEU 83 Ca -0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1pj0 h LEU 83 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pj0 h LEU 83 CO 0.05 0.62 -0.24 -0.33 0.09 0.00 0.00 178.44 178.64 1pj0 h GLU 84 N 1.09 0.67 -0.51 1.13 4.39 -1.03 0.36 114.58 120.68 1pj0 h GLU 84 Ca 0.38 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1pj0 h GLU 84 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1pj0 h GLU 84 CO -0.15 0.85 0.30 0.77 -1.16 0.00 0.00 179.01 179.62 1pj0 h SER 85 N 0.58 0.62 -0.29 1.42 0.02 -0.64 0.11 113.55 115.37 1pj0 h SER 85 Ca 0.08 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1pj0 h SER 85 Cb 0.72 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1pj0 h SER 85 CO 0.06 0.50 -0.21 0.40 -1.14 0.00 0.00 176.83 176.44 1pj0 h ILE 86 N 0.68 1.30 0.00 3.27 2.04 -1.17 -3.16 117.51 120.48 1pj0 h ILE 86 Ca 0.18 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1pj0 h ILE 86 Cb 0.00 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1pj0 h ILE 86 CO -0.03 0.43 0.00 1.56 0.00 0.00 0.00 178.15 180.11 1pj0 h GLN 87 N 0.40 0.00 -0.04 2.37 1.08 -0.69 -0.06 115.11 118.17 1pj0 h GLN 87 Ca 0.06 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.07 1pj0 h GLN 87 Cb 0.75 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1pj0 h GLN 87 CO 0.06 0.00 -0.79 0.78 -0.95 0.00 0.00 178.83 177.92 1pj0 h GLY 88 N 2.84 0.36 0.00 3.46 0.00 -0.74 -3.39 103.07 105.60 1pj0 h GLY 88 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 47.33 46.51 1pj0 h GLY 88 CO 0.00 0.50 -2.00 -0.96 0.00 0.00 0.00 176.54 174.08 1pj0 n ARG 89 N -3.78 1.18 -0.11 4.80 1.85 -1.14 -4.67 116.66 114.80 1pj0 n ARG 89 Ca -0.04 0.04 -0.08 0.00 -1.00 0.00 0.00 57.85 56.76 1pj0 n ARG 89 Cb 0.75 -1.36 -0.01 0.00 -1.05 0.00 0.00 32.46 30.79 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 0.00 0.41 -0.99 2.89 0.02 -1.19 -1.55 113.55 113.13 1pj0 h SER 90 Ca -0.39 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 60.66 1pj0 h SER 90 Cb 1.77 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 64.13 1pj0 h SER 90 CO -0.01 0.30 0.62 -0.65 -1.14 0.00 0.00 176.83 175.95 1pj0 h PRO 91 N 0.48 0.97 0.20 3.45 0.11 -1.80 0.22 132.00 135.63 1pj0 h PRO 91 Ca 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1pj0 h PRO 91 Cb -0.05 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.84 1pj0 h PRO 91 CO -0.03 0.64 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.40 1pj0 h ASN 92 N 1.00 -0.23 -0.44 -2.05 2.35 -1.78 -0.04 115.58 114.40 1pj0 h ASN 92 Ca 0.49 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1pj0 h ASN 92 Cb 0.45 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1pj0 h ASN 92 CO -0.26 0.20 -0.04 0.58 -1.65 0.00 0.00 177.43 176.26 1pj0 h VAL 93 N -0.71 1.25 0.06 2.81 2.07 -1.02 -2.83 116.25 117.89 1pj0 h VAL 93 Ca -0.03 -1.11 -0.31 0.00 0.82 0.00 0.00 66.70 66.07 1pj0 h VAL 93 Cb 0.49 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1pj0 h VAL 93 CO 0.05 0.39 -1.71 0.00 0.02 0.00 0.00 177.57 176.31 1pj0 h ALA 94 N 1.15 0.54 0.03 1.67 0.00 -0.66 -3.43 119.26 118.57 1pj0 h ALA 94 Ca 0.14 -1.34 -0.39 0.00 0.00 0.00 0.00 54.91 53.33 1pj0 h ALA 94 Cb 0.53 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1pj0 h ALA 94 CO 0.03 1.39 -2.35 1.28 0.00 0.00 0.00 179.25 179.60 1pj0 n LEU 95 N -3.28 2.82 -0.27 0.00 4.77 -0.03 -4.60 117.00 116.42 1pj0 n LEU 95 Ca -0.20 -0.02 0.06 0.00 -0.03 0.00 0.00 56.01 55.81 1pj0 n LEU 95 Cb 1.04 -0.95 0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1pj0 n LEU 95 CO 0.46 0.89 0.80 -0.07 -1.33 0.00 0.00 177.39 178.14 1pj0 h LEU 96 N -0.06 -0.43 0.00 2.23 4.07 -1.48 0.15 115.31 119.80 1pj0 h LEU 96 Ca -0.55 0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1pj0 h LEU 96 Cb 1.90 0.38 0.00 0.00 1.08 0.00 0.00 40.66 44.03 1pj0 h LEU 96 CO -0.07 -0.21 0.00 -2.65 -1.08 0.00 0.00 178.44 174.43 1pj0 n PRO 97 N -5.39 0.04 0.00 1.13 -0.02 -1.26 -2.87 135.00 126.63 1pj0 n PRO 97 Ca 0.14 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1pj0 n PRO 97 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.42 0.79 -4.76 2.45 4.77 0.52 -4.97 117.00 114.38 1pj0 n LEU 98 Ca 0.02 -0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 1pj0 n LEU 98 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1pj0 n LEU 98 CO 0.06 0.17 0.59 -0.63 -1.33 0.00 0.00 177.39 176.25 1pj0 s ILE 99 N -1.08 4.26 -0.02 -0.08 1.01 -1.05 -0.26 121.20 123.98 1pj0 s ILE 99 Ca 0.04 1.94 0.03 0.00 0.00 0.00 0.00 60.65 62.66 1pj0 s ILE 99 Cb 0.04 -4.25 0.05 0.00 0.01 0.00 0.00 42.46 38.31 1pj0 s ILE 99 CO 0.16 0.48 0.98 -1.54 0.00 0.00 0.00 174.94 175.01 1pj0 n SER 100 N 1.76 1.84 -4.00 3.58 3.41 0.04 -3.91 113.62 116.34 1pj0 n SER 100 Ca -0.03 -2.09 -0.22 0.00 -0.26 0.00 0.00 58.87 56.28 1pj0 n SER 100 Cb 0.48 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.19 0.88 0.30 -1.33 -4.36 -1.26 -4.63 121.20 109.62 1pj0 s ILE 101 Ca 0.05 -0.38 0.03 0.00 -0.26 0.00 0.00 60.65 60.09 1pj0 s ILE 101 Cb 0.05 -0.80 0.29 0.00 1.25 0.00 0.00 42.46 43.24 1pj0 s ILE 101 CO 0.00 0.28 1.85 1.55 0.24 0.00 0.00 174.94 178.86 1pj0 h PRO 102 N 6.63 0.89 -0.31 0.37 0.13 -1.89 -2.01 132.00 135.81 1pj0 h PRO 102 Ca -0.33 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1pj0 h PRO 102 Cb 1.17 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1pj0 h PRO 102 CO 0.48 0.59 -0.09 1.05 -0.23 0.00 0.00 178.00 179.80 1pj0 h GLU 103 N 0.92 0.51 0.03 0.86 9.09 -1.91 -1.87 114.58 122.21 1pj0 h GLU 103 Ca 0.48 -0.14 -0.27 0.00 0.05 0.00 0.00 59.36 59.48 1pj0 h GLU 103 Cb 0.54 -0.06 0.02 0.00 -1.65 0.00 0.00 28.75 27.60 1pj0 h GLU 103 CO -0.25 0.61 -1.09 1.25 0.05 0.00 0.00 179.01 179.58 1pj0 h LEU 104 N 0.48 0.88 0.05 3.06 5.85 -1.85 -1.77 115.31 122.01 1pj0 h LEU 104 Ca 0.09 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.10 1pj0 h LEU 104 Cb 0.45 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1pj0 h LEU 104 CO 0.02 1.53 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.43 1pj0 h GLU 105 N 0.35 -0.26 -0.22 1.25 4.81 -1.12 -0.73 114.58 118.67 1pj0 h GLU 105 Ca -0.14 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1pj0 h GLU 105 Cb 1.74 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1pj0 h GLU 105 CO 0.21 -0.17 -0.27 1.15 -0.73 0.00 0.00 179.01 179.20 1pj0 h THR 106 N -0.27 1.27 -0.61 0.32 2.02 -1.42 -2.54 112.91 111.68 1pj0 h THR 106 Ca 0.03 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1pj0 h THR 106 Cb 0.30 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1pj0 h THR 106 CO -0.11 0.40 0.28 -0.25 0.37 0.00 0.00 175.52 176.22 1pj0 h TRP 107 N 0.37 0.89 -0.78 3.16 -0.00 -0.92 0.24 115.95 118.91 1pj0 h TRP 107 Ca 0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 1pj0 h TRP 107 Cb 0.67 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.52 1pj0 h TRP 107 CO 0.02 0.68 0.30 0.28 -0.00 0.00 0.00 178.44 179.72 1pj0 h VAL 108 N 0.84 1.26 -0.18 2.65 2.07 -0.92 0.23 116.25 122.20 1pj0 h VAL 108 Ca 0.21 -0.84 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 1pj0 h VAL 108 Cb 0.13 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1pj0 h VAL 108 CO -0.02 0.34 -0.44 -0.33 0.02 0.00 0.00 177.57 177.14 1pj0 h GLU 109 N 1.14 0.43 -0.17 1.57 5.08 -1.10 0.75 114.58 122.28 1pj0 h GLU 109 Ca 0.26 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1pj0 h GLU 109 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1pj0 h GLU 109 CO -0.02 0.79 -0.46 1.15 -1.00 0.00 0.00 179.01 179.47 1pj0 h THR 110 N 0.35 1.33 0.27 1.13 2.02 -0.61 -0.18 112.91 117.23 1pj0 h THR 110 Ca 0.03 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 1pj0 h THR 110 Cb 0.91 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1pj0 h THR 110 CO 0.08 0.53 -0.13 -0.25 0.37 0.00 0.00 175.52 176.11 1pj0 h TRP 111 N 0.28 -0.34 -0.59 3.16 7.01 -0.44 -1.31 115.95 123.71 1pj0 h TRP 111 Ca -0.01 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1pj0 h TRP 111 Cb 1.07 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.20 1pj0 h TRP 111 CO 0.10 -0.21 0.34 0.00 -2.79 0.00 0.00 178.44 175.88 1pj0 h ALA 112 N 0.36 0.77 -0.66 2.65 0.00 -0.82 -2.31 119.26 119.24 1pj0 h ALA 112 Ca -0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1pj0 h ALA 112 Cb 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1pj0 h ALA 112 CO 0.06 0.05 0.40 0.35 0.00 0.00 0.00 179.25 180.11 1pj0 h PHE 113 N 0.67 0.74 0.00 0.00 3.57 -0.77 -1.08 116.94 120.06 1pj0 h PHE 113 Ca 0.25 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1pj0 h PHE 113 Cb 0.08 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1pj0 h PHE 113 CO -0.07 0.39 -0.11 0.66 -2.23 0.00 0.00 178.31 176.96 1pj0 h SER 114 N 0.76 0.00 -0.01 0.41 4.64 -0.71 -1.32 113.55 117.32 1pj0 h SER 114 Ca 0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1pj0 h SER 114 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1pj0 h SER 114 CO -0.14 0.11 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.30 1pj0 h GLU 115 N 0.00 0.45 0.00 4.77 4.39 -0.78 -1.93 114.58 121.48 1pj0 h GLU 115 Ca -0.00 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1pj0 h GLU 115 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1pj0 h GLU 115 CO 0.01 0.71 -0.29 1.79 -1.16 0.00 0.00 179.01 180.07 1pj0 h THR 116 N 0.39 0.76 -0.15 1.13 1.35 -0.95 -0.64 112.91 114.80 1pj0 h THR 116 Ca 0.05 -1.23 -0.15 0.00 -0.55 0.00 0.00 66.41 64.53 1pj0 h THR 116 Cb 0.72 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1pj0 h THR 116 CO 0.06 0.28 -0.55 0.40 -0.25 0.00 0.00 175.52 175.46 1pj0 h ILE 117 N 0.00 1.33 -0.46 6.82 1.08 -1.04 -0.68 117.51 124.57 1pj0 h ILE 117 Ca -0.00 -1.81 -0.10 0.00 -0.39 0.00 0.00 64.86 62.55 1pj0 h ILE 117 Cb 0.75 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1pj0 h ILE 117 CO 0.04 0.56 -0.12 0.45 -0.69 0.00 0.00 178.15 178.38 1pj0 h HIS 118 N 0.35 0.93 -0.38 1.37 3.86 -0.59 -0.34 115.15 120.35 1pj0 h HIS 118 Ca 0.01 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.01 1pj0 h HIS 118 Cb 1.07 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 1pj0 h HIS 118 CO 0.04 0.91 0.15 0.77 0.86 0.00 0.00 177.93 180.66 1pj0 h SER 119 N 0.76 0.53 -0.22 2.45 0.02 -0.79 -1.65 113.55 114.65 1pj0 h SER 119 Ca 0.12 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1pj0 h SER 119 Cb 0.63 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1pj0 h SER 119 CO 0.04 0.55 0.07 0.03 -1.14 0.00 0.00 176.83 176.38 1pj0 h ARG 120 N 0.47 0.43 -0.60 3.45 3.08 -0.85 -1.95 114.38 118.41 1pj0 h ARG 120 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1pj0 h ARG 120 Cb 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1pj0 h ARG 120 CO -0.01 0.40 0.30 0.77 -1.07 0.00 0.00 179.97 180.37 1pj0 h SER 121 N 0.42 0.77 0.55 7.04 0.02 -0.31 -1.54 113.55 120.51 1pj0 h SER 121 Ca 0.10 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1pj0 h SER 121 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pj0 h SER 121 CO -0.00 0.67 -0.43 1.88 -1.14 0.00 0.00 176.83 177.80 1pj0 h TYR 122 N 0.81 0.00 -0.37 3.45 0.05 -0.61 -1.08 116.97 119.22 1pj0 h TYR 122 Ca 0.21 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.85 1pj0 h TYR 122 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1pj0 h TYR 122 CO -0.00 0.43 -0.32 1.15 -1.05 0.00 0.00 178.16 178.37 1pj0 h THR 123 N 0.00 1.28 -0.44 -2.88 2.02 -1.00 0.11 112.91 112.01 1pj0 h THR 123 Ca -0.00 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1pj0 h THR 123 Cb 0.82 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1pj0 h THR 123 CO 0.06 0.49 0.29 -0.74 0.37 0.00 0.00 175.52 175.99 1pj0 h HIS 124 N 0.67 0.54 0.17 3.16 -0.00 -0.86 0.18 115.15 119.02 1pj0 h HIS 124 Ca 0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1pj0 h HIS 124 Cb 0.90 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1pj0 h HIS 124 CO 0.06 0.34 -0.08 0.82 -0.00 0.00 0.00 177.93 179.08 1pj0 h ILE 125 N 0.59 0.95 0.33 6.26 2.04 -1.08 -2.86 117.51 123.74 1pj0 h ILE 125 Ca 0.16 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pj0 h ILE 125 Cb -0.07 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1pj0 h ILE 125 CO -0.04 0.16 -0.35 0.40 0.00 0.00 0.00 178.15 178.32 1pj0 h ILE 126 N -0.57 0.28 -0.61 -0.67 2.04 -0.65 -1.90 117.51 115.42 1pj0 h ILE 126 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.01 1pj0 h ILE 126 Cb 0.43 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1pj0 h ILE 126 CO 0.04 0.00 0.53 -0.09 0.00 0.00 0.00 178.15 178.63 1pj0 h ARG 127 N -0.71 0.00 0.00 2.37 2.43 -0.72 -1.39 114.38 116.36 1pj0 h ARG 127 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1pj0 h ARG 127 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1pj0 h ARG 127 CO -0.08 0.00 -1.08 0.09 -1.51 0.00 0.00 179.97 177.39 1pj0 n ASN 128 N -3.96 0.60 -0.01 -3.80 3.02 -0.83 -4.45 115.26 105.83 1pj0 n ASN 128 Ca 0.12 -0.24 0.04 0.00 -0.03 0.00 0.00 54.58 54.47 1pj0 n ASN 128 Cb 0.77 0.87 -0.08 0.00 -0.61 0.00 0.00 39.78 40.72 1pj0 n ASN 128 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pj0 n ILE 129 N -1.96 0.13 -4.10 2.41 -5.35 -0.69 -4.27 119.36 105.53 1pj0 n ILE 129 Ca 0.02 -0.28 -0.22 0.00 -0.27 0.00 0.00 62.75 62.00 1pj0 n ILE 129 Cb 0.44 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.36 1pj0 n ILE 129 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1pj0 s VAL 130 N -2.66 4.14 -0.06 7.28 0.11 -0.61 -4.79 120.40 123.81 1pj0 s VAL 130 Ca -0.04 -1.48 -0.20 0.00 -2.93 0.00 0.00 61.98 57.33 1pj0 s VAL 130 Cb 0.06 -3.28 -0.31 0.00 -1.53 0.00 0.00 36.38 31.32 1pj0 s VAL 130 CO 0.45 -0.32 0.81 0.78 -3.33 0.00 0.00 175.10 173.48 1pj0 h ASN 131 N 1.51 0.47 -3.40 3.54 -0.26 -1.89 -3.43 115.58 112.12 1pj0 h ASN 131 Ca -0.47 -0.92 -0.61 0.00 -0.56 0.00 0.00 56.30 53.74 1pj0 h ASN 131 Cb 1.24 -0.15 -0.40 0.00 -1.06 0.00 0.00 38.32 37.95 1pj0 h ASN 131 CO 0.60 1.48 -0.74 -0.62 -1.06 0.00 0.00 177.43 177.09 1pj0 s ASP 132 N -7.04 4.13 0.49 5.81 2.15 -1.26 -4.99 116.67 115.95 1pj0 s ASP 132 Ca -0.15 -2.03 0.24 0.00 0.43 0.00 0.00 52.55 51.03 1pj0 s ASP 132 Cb 0.02 -1.11 1.28 0.00 -0.30 0.00 0.00 42.92 42.82 1pj0 s ASP 132 CO 0.82 -0.37 1.91 -0.65 -0.17 0.00 0.00 175.17 176.72 1pj0 h PRO 133 N 7.61 0.17 -0.62 4.34 0.11 -1.89 -2.15 132.00 139.57 1pj0 h PRO 133 Ca -0.08 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.12 1pj0 h PRO 133 Cb 0.99 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1pj0 h PRO 133 CO 0.49 0.11 0.41 0.77 -0.21 0.00 0.00 178.00 179.58 1pj0 h SER 134 N 0.18 0.37 -0.43 -2.05 0.02 -1.98 0.55 113.55 110.20 1pj0 h SER 134 Ca 0.38 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1pj0 h SER 134 Cb 1.24 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1pj0 h SER 134 CO -0.07 0.22 -0.07 0.58 -1.14 0.00 0.00 176.83 176.36 1pj0 h VAL 135 N 0.41 1.27 0.58 2.27 2.07 -1.82 0.43 116.25 121.46 1pj0 h VAL 135 Ca 0.29 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1pj0 h VAL 135 Cb 0.57 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1pj0 h VAL 135 CO -0.08 0.39 -0.28 0.58 0.02 0.00 0.00 177.57 178.20 1pj0 h VAL 136 N 0.64 0.23 -0.66 2.57 2.07 -1.37 -2.26 116.25 117.48 1pj0 h VAL 136 Ca 0.11 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1pj0 h VAL 136 Cb 0.59 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 1pj0 h VAL 136 CO 0.04 0.03 0.29 -0.26 0.02 0.00 0.00 177.57 177.69 1pj0 h PHE 137 N -1.08 0.51 -0.65 1.57 0.04 -0.95 -1.96 116.94 114.42 1pj0 h PHE 137 Ca -0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1pj0 h PHE 137 Cb 0.65 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1pj0 h PHE 137 CO 0.01 0.16 0.29 -0.44 -0.60 0.00 0.00 178.31 177.73 1pj0 h ASP 138 N 0.50 0.87 0.05 2.17 3.32 -0.95 -2.36 116.42 120.02 1pj0 h ASP 138 Ca 0.33 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1pj0 h ASP 138 Cb 0.37 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1pj0 h ASP 138 CO -0.29 0.78 -0.03 -0.78 -1.72 0.00 0.00 179.24 177.20 1pj0 h ASP 139 N 0.91 0.00 -0.54 6.45 3.58 -0.74 -2.07 116.42 124.01 1pj0 h ASP 139 Ca 0.22 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.69 1pj0 h ASP 139 Cb 0.15 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1pj0 h ASP 139 CO -0.02 0.03 0.34 0.40 -2.88 0.00 0.00 179.24 177.11 1pj0 h ILE 140 N 0.00 1.10 -0.12 2.25 2.04 -0.88 -2.73 117.51 119.16 1pj0 h ILE 140 Ca -0.00 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1pj0 h ILE 140 Cb 0.06 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1pj0 h ILE 140 CO 0.00 0.13 0.01 0.58 0.00 0.00 0.00 178.15 178.87 1pj0 h VAL 141 N 0.69 1.23 -0.52 1.67 2.07 -1.44 -3.44 116.25 116.51 1pj0 h VAL 141 Ca 0.21 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1pj0 h VAL 141 Cb -0.03 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1pj0 h VAL 141 CO -0.07 0.22 0.00 0.35 0.02 0.00 0.00 177.57 178.09 1pj0 n THR 142 N -4.81 0.00 -2.13 2.57 -2.24 -1.03 -4.92 114.28 101.72 1pj0 n THR 142 Ca -0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1pj0 n THR 142 Cb 0.19 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 0.00 -4.04 -0.01 3.42 4.05 -1.22 -4.64 115.26 112.82 1pj0 n ASN 143 Ca 0.00 0.75 0.06 0.00 0.45 0.00 0.00 54.58 55.84 1pj0 n ASN 143 Cb 0.00 -3.30 0.45 0.00 1.23 0.00 0.00 39.78 38.16 1pj0 n ASN 143 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1pj0 h GLU 144 N 1.78 0.48 -0.61 1.20 4.11 -1.91 -2.63 114.58 116.99 1pj0 h GLU 144 Ca -0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 1pj0 h GLU 144 Cb 0.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1pj0 h GLU 144 CO 0.04 0.32 0.30 1.96 0.07 0.00 0.00 179.01 181.70 1pj0 h GLN 145 N 0.50 0.87 -0.25 1.06 7.50 -1.98 0.66 115.11 123.46 1pj0 h GLN 145 Ca 0.17 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 1pj0 h GLN 145 Cb 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1pj0 h GLN 145 CO -0.04 0.69 -0.04 0.82 -1.50 0.00 0.00 178.83 178.77 1pj0 h ILE 146 N 0.83 1.27 0.00 2.54 2.04 -1.78 -1.96 117.51 120.46 1pj0 h ILE 146 Ca 0.21 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1pj0 h ILE 146 Cb 0.10 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1pj0 h ILE 146 CO -0.03 0.32 -0.38 1.56 0.00 0.00 0.00 178.15 179.62 1pj0 h GLN 147 N 0.23 0.00 -0.01 2.37 1.08 -1.31 -2.26 115.11 115.21 1pj0 h GLN 147 Ca 0.07 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1pj0 h GLN 147 Cb 0.48 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1pj0 h GLN 147 CO 0.02 0.38 0.00 0.87 -0.95 0.00 0.00 178.83 179.16 1pj0 h LYS 148 N 0.00 0.02 -0.39 1.46 6.56 0.58 0.25 116.57 125.06 1pj0 h LYS 148 Ca -0.00 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 1pj0 h LYS 148 Cb 0.73 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.37 1pj0 h LYS 148 CO 0.05 0.20 0.07 -0.09 -2.06 0.00 0.00 179.45 177.62 1pj0 h ARG 149 N -0.17 0.58 -0.00 3.15 2.43 -1.15 -2.72 114.38 116.49 1pj0 h ARG 149 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1pj0 h ARG 149 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1pj0 h ARG 149 CO -0.00 0.55 -0.26 0.00 -1.51 0.00 0.00 179.97 178.75 1pj0 n ALA 150 N -2.47 3.07 -1.62 2.80 0.00 -0.87 -4.78 120.51 116.63 1pj0 n ALA 150 Ca 0.02 -0.34 -0.52 0.00 0.00 0.00 0.00 53.44 52.60 1pj0 n ALA 150 Cb 0.21 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 1pj0 n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pj0 n GLU 151 N -0.96 1.30 0.00 0.00 2.13 0.88 -2.20 120.64 121.79 1pj0 n GLU 151 Ca 0.11 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1pj0 n GLU 151 Cb 0.33 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1pj0 n GLU 151 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pj0 n GLY 152 N 2.95 2.56 0.10 8.31 0.00 -1.26 -4.98 105.19 112.87 1pj0 n GLY 152 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1pj0 n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj0 h ILE 153 N 0.00 0.00 -0.52 -0.61 2.04 -1.84 -2.97 117.51 113.61 1pj0 h ILE 153 Ca 0.00 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1pj0 h ILE 153 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1pj0 h ILE 153 CO 0.00 0.00 0.20 0.77 0.00 0.00 0.00 178.15 179.12 1pj0 h SER 154 N -0.71 0.68 -0.79 1.72 4.64 -1.94 -2.69 113.55 114.46 1pj0 h SER 154 Ca -0.02 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1pj0 h SER 154 Cb 0.15 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1pj0 h SER 154 CO 0.03 0.62 0.47 0.77 -0.87 0.00 0.00 176.83 177.85 1pj0 h SER 155 N 0.74 0.95 -0.31 4.97 4.64 -1.94 0.02 113.55 122.62 1pj0 h SER 155 Ca 0.18 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1pj0 h SER 155 Cb 0.16 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1pj0 h SER 155 CO -0.02 0.74 -0.05 0.22 -0.87 0.00 0.00 176.83 176.86 1pj0 h TYR 156 N 1.08 0.65 -0.38 4.77 5.03 -1.31 -1.19 116.97 125.62 1pj0 h TYR 156 Ca 0.28 -0.13 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1pj0 h TYR 156 Cb -0.03 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 1pj0 h TYR 156 CO -0.01 0.75 0.24 1.88 -1.32 0.00 0.00 178.16 179.70 1pj0 h TYR 157 N 0.36 0.46 -0.69 -3.82 0.05 -1.30 -1.65 116.97 110.39 1pj0 h TYR 157 Ca 0.08 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.90 1pj0 h TYR 157 Cb 0.52 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 1pj0 h TYR 157 CO 0.05 0.28 0.43 -0.44 -1.05 0.00 0.00 178.16 177.43 1pj0 h ASP 158 N 0.50 0.71 -0.65 3.88 3.32 -0.82 -0.60 116.42 122.75 1pj0 h ASP 158 Ca 0.14 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1pj0 h ASP 158 Cb -0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1pj0 h ASP 158 CO -0.04 0.49 0.11 -0.33 -1.72 0.00 0.00 179.24 177.75 1pj0 h GLU 159 N 0.84 1.09 -0.50 3.56 5.08 -0.95 -1.40 114.58 122.30 1pj0 h GLU 159 Ca 0.27 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1pj0 h GLU 159 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1pj0 h GLU 159 CO -0.10 0.99 0.03 1.25 -1.00 0.00 0.00 179.01 180.19 1pj0 h LEU 160 N 1.02 0.84 -0.54 1.33 5.85 -0.78 -1.40 115.31 121.63 1pj0 h LEU 160 Ca 0.20 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1pj0 h LEU 160 Cb 0.43 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1pj0 h LEU 160 CO 0.01 0.92 0.17 0.40 -0.34 0.00 0.00 178.44 179.60 1pj0 h ILE 161 N 0.74 1.24 -0.43 4.05 2.04 -0.96 0.12 117.51 124.30 1pj0 h ILE 161 Ca 0.15 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1pj0 h ILE 161 Cb 0.47 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1pj0 h ILE 161 CO 0.02 0.30 0.10 -0.08 0.00 0.00 0.00 178.15 178.48 1pj0 h GLU 162 N 0.75 0.70 -0.28 2.37 4.81 -1.13 -0.63 114.58 121.17 1pj0 h GLU 162 Ca 0.17 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1pj0 h GLU 162 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1pj0 h GLU 162 CO -0.00 0.71 -0.17 0.52 -0.73 0.00 0.00 179.01 179.34 1pj0 h MET 163 N 0.57 0.49 -0.55 1.92 2.86 -1.11 -2.14 114.93 116.97 1pj0 h MET 163 Ca 0.14 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1pj0 h MET 163 Cb 0.33 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1pj0 h MET 163 CO 0.00 0.65 -0.00 1.15 1.06 0.00 0.00 176.91 179.77 1pj0 h THR 164 N 0.45 1.26 -0.36 2.22 2.02 -0.60 -1.66 112.91 116.23 1pj0 h THR 164 Ca 0.08 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1pj0 h THR 164 Cb 0.56 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1pj0 h THR 164 CO 0.04 0.40 0.20 0.28 0.37 0.00 0.00 175.52 176.81 1pj0 h SER 165 N 0.86 0.45 -0.78 4.18 0.02 -0.76 -0.55 113.55 116.97 1pj0 h SER 165 Ca 0.16 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1pj0 h SER 165 Cb 0.54 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 1pj0 h SER 165 CO 0.03 0.41 0.47 1.88 -1.14 0.00 0.00 176.83 178.48 1pj0 h TYR 166 N 0.46 0.87 -0.12 3.45 0.05 -1.20 0.89 116.97 121.37 1pj0 h TYR 166 Ca 0.13 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1pj0 h TYR 166 Cb 0.05 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 1pj0 h TYR 166 CO -0.03 0.44 0.05 2.35 -1.05 0.00 0.00 178.16 179.93 1pj0 h TRP 167 N 0.87 0.19 -0.57 4.88 7.01 -0.86 0.29 115.95 127.74 1pj0 h TRP 167 Ca 0.34 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.26 1pj0 h TRP 167 Cb 0.15 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 1pj0 h TRP 167 CO -0.05 0.27 0.10 0.45 -2.79 0.00 0.00 178.44 176.42 1pj0 h HIS 168 N 0.05 0.96 0.12 2.65 3.86 -0.74 0.75 115.15 122.79 1pj0 h HIS 168 Ca 0.04 -0.11 -0.22 0.00 -1.16 0.00 0.00 60.37 58.92 1pj0 h HIS 168 Cb 0.16 -0.27 0.02 0.00 1.06 0.00 0.00 27.41 28.38 1pj0 h HIS 168 CO -0.02 0.82 -0.93 -0.07 0.86 0.00 0.00 177.93 178.59 1pj0 h LEU 169 N 0.87 0.61 0.00 2.43 3.38 -0.66 0.94 115.31 122.88 1pj0 h LEU 169 Ca 0.18 -0.88 -0.07 0.00 0.09 0.00 0.00 57.88 57.20 1pj0 h LEU 169 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1pj0 h LEU 169 CO 0.01 1.43 -1.74 0.18 0.09 0.00 0.00 178.44 178.41 1pj0 n LEU 170 N -4.04 0.00 -0.18 1.67 4.77 0.99 -4.77 117.00 115.44 1pj0 n LEU 170 Ca -0.13 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1pj0 n LEU 170 Cb 0.85 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 42.04 1pj0 n LEU 170 CO 0.51 0.10 -0.04 0.61 -1.33 0.00 0.00 177.39 177.24 1pj0 n GLY 171 N 1.83 -1.69 3.76 -0.72 0.00 0.26 -4.88 105.19 103.73 1pj0 n GLY 171 Ca -0.08 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.66 3.31 0.00 1.61 2.02 -1.26 -4.72 118.70 118.00 1pj0 s GLU 172 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1pj0 s GLU 172 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1pj0 s GLU 172 CO 0.00 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1pj0 n GLY 173 N 0.54 0.88 3.37 -1.39 0.00 -0.30 -4.96 105.19 103.33 1pj0 n GLY 173 Ca 0.10 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.27 3.48 0.40 2.61 2.01 -1.26 -0.53 115.64 121.08 1pj0 s THR 174 Ca 0.00 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.60 1pj0 s THR 174 Cb 0.00 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 1pj0 s THR 174 CO 0.00 0.45 0.00 -1.00 -0.69 0.00 0.00 174.62 173.38 1pj0 s HIS 175 N 1.02 2.50 -0.26 4.92 3.76 0.11 -4.95 115.29 122.39 1pj0 s HIS 175 Ca 0.00 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1pj0 s HIS 175 Cb -0.15 -1.74 0.07 0.00 1.11 0.00 0.00 32.58 31.87 1pj0 s HIS 175 CO 0.00 0.46 -0.07 0.99 -0.85 0.00 0.00 174.74 175.27 1pj0 s THR 176 N -2.71 1.97 -0.25 1.30 2.01 -1.26 -0.18 115.64 116.52 1pj0 s THR 176 Ca 0.35 -1.60 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1pj0 s THR 176 Cb 0.09 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.46 1pj0 s THR 176 CO 0.18 -0.13 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.22 1pj0 s VAL 177 N 1.17 2.71 -1.57 3.82 1.01 0.23 -4.66 120.40 123.11 1pj0 s VAL 177 Ca -0.05 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1pj0 s VAL 177 Cb -0.19 -2.43 0.10 0.00 0.00 0.00 0.00 36.38 33.86 1pj0 s VAL 177 CO -0.06 0.13 0.82 0.59 0.00 0.00 0.00 175.10 176.59 1pj0 n ASN 178 N 4.62 -3.45 0.00 3.32 3.02 -1.26 -1.00 115.26 120.50 1pj0 n ASN 178 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1pj0 n ASN 178 Cb 0.46 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 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 -1.60 0.96 3.74 7.41 0.00 -1.26 -5.02 105.19 109.42 1pj0 n GLY 179 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.01 2.98 -0.23 1.61 -0.14 -0.17 -5.07 119.74 118.71 1pj0 s LYS 180 Ca 0.00 -0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 53.87 1pj0 s LYS 180 Cb 0.00 -2.81 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 1pj0 s LYS 180 CO 0.00 0.65 0.79 0.99 -0.76 0.00 0.00 175.35 177.03 1pj0 s THR 181 N -1.11 4.87 -0.17 2.17 2.01 -1.26 -0.60 115.64 121.56 1pj0 s THR 181 Ca 0.20 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.71 1pj0 s THR 181 Cb -0.12 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1pj0 s THR 181 CO 0.11 -0.03 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.14 1pj0 s VAL 182 N 2.60 2.34 -0.21 3.82 1.01 0.75 -4.95 120.40 125.75 1pj0 s VAL 182 Ca 0.34 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1pj0 s VAL 182 Cb -0.16 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1pj0 s VAL 182 CO 0.09 0.53 0.18 -0.89 0.00 0.00 0.00 175.10 175.00 1pj0 s THR 183 N 1.04 5.37 -0.34 3.92 2.01 -1.26 0.09 115.64 126.47 1pj0 s THR 183 Ca -0.01 0.25 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 1pj0 s THR 183 Cb -0.14 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1pj0 s THR 183 CO -0.05 0.39 0.07 -0.69 -0.69 0.00 0.00 174.62 173.64 1pj0 s VAL 184 N 0.71 2.83 -0.19 3.82 1.01 0.31 -5.01 120.40 123.87 1pj0 s VAL 184 Ca 0.09 -1.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.15 1pj0 s VAL 184 Cb -0.12 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1pj0 s VAL 184 CO 0.02 -0.42 -0.04 -0.55 0.00 0.00 0.00 175.10 174.11 1pj0 s SER 185 N 1.35 4.54 0.24 3.32 0.15 -1.26 -1.15 113.70 120.88 1pj0 s SER 185 Ca 0.03 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 1pj0 s SER 185 Cb -0.21 -1.76 0.24 0.00 -1.71 0.00 0.00 66.02 62.58 1pj0 s SER 185 CO -0.04 0.07 1.80 0.25 1.20 0.00 0.00 173.24 176.51 1pj0 h LEU 186 N 7.47 1.00 -0.43 3.45 5.85 -1.98 -1.63 115.31 129.04 1pj0 h LEU 186 Ca -0.36 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.25 1pj0 h LEU 186 Cb 1.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1pj0 h LEU 186 CO 0.60 0.91 0.19 -0.09 -0.34 0.00 0.00 178.44 179.70 1pj0 h ARG 187 N 1.05 0.37 -0.42 1.25 9.65 -1.99 0.34 114.38 124.62 1pj0 h ARG 187 Ca 0.24 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.01 1pj0 h ARG 187 Cb 0.24 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1pj0 h ARG 187 CO -0.02 0.24 -0.08 0.93 2.80 0.00 0.00 179.97 183.84 1pj0 h GLU 188 N 0.38 0.73 -0.24 0.20 4.39 -1.90 -1.76 114.58 116.37 1pj0 h GLU 188 Ca 0.19 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1pj0 h GLU 188 Cb 0.14 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1pj0 h GLU 188 CO -0.17 0.80 -0.27 1.25 -1.16 0.00 0.00 179.01 179.46 1pj0 h LEU 189 N 0.67 0.47 -0.59 1.33 5.85 -0.52 -0.90 115.31 121.62 1pj0 h LEU 189 Ca 0.12 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1pj0 h LEU 189 Cb 0.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1pj0 h LEU 189 CO 0.03 0.74 -0.12 0.11 -0.34 0.00 0.00 178.44 178.86 1pj0 h LYS 190 N 0.41 1.00 -0.58 1.25 1.57 -0.61 -0.70 116.57 118.91 1pj0 h LYS 190 Ca 0.06 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1pj0 h LYS 190 Cb 0.69 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1pj0 h LYS 190 CO 0.05 1.05 0.31 0.87 -0.57 0.00 0.00 179.45 181.16 1pj0 h LYS 191 N 0.89 0.82 -0.23 3.15 1.57 -0.80 0.12 116.57 122.09 1pj0 h LYS 191 Ca 0.14 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pj0 h LYS 191 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pj0 h LYS 191 CO 0.05 0.64 0.14 -0.22 -0.57 0.00 0.00 179.45 179.48 1pj0 h LYS 192 N 0.79 0.31 -0.49 3.15 1.63 -0.84 -0.43 116.57 120.68 1pj0 h LYS 192 Ca 0.20 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1pj0 h LYS 192 Cb 0.06 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1pj0 h LYS 192 CO -0.03 0.24 0.27 1.25 -3.45 0.00 0.00 179.45 177.73 1pj0 h LEU 193 N 0.28 0.62 -0.32 5.20 5.85 -0.85 0.01 115.31 126.09 1pj0 h LEU 193 Ca 0.08 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pj0 h LEU 193 Cb 0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1pj0 h LEU 193 CO -0.02 0.54 0.17 0.22 -0.34 0.00 0.00 178.44 179.01 1pj0 h TYR 194 N 0.65 0.32 0.00 1.25 3.20 -0.43 -0.83 116.97 121.13 1pj0 h TYR 194 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1pj0 h TYR 194 Cb 0.06 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1pj0 h TYR 194 CO -0.02 0.18 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.25 1pj0 h LEU 195 N 0.35 0.00 -0.44 2.82 3.38 -0.91 -1.78 115.31 118.73 1pj0 h LEU 195 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1pj0 h LEU 195 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pj0 h LEU 195 CO -0.08 0.36 -0.14 0.00 0.09 0.00 0.00 178.44 178.67 1pj0 h LEU 197 N 0.70 1.04 -0.72 0.00 3.38 -0.84 0.47 115.31 119.34 1pj0 h LEU 197 Ca 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1pj0 h LEU 197 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1pj0 h LEU 197 CO 0.05 1.04 0.37 0.24 0.09 0.00 0.00 178.44 180.23 1pj0 h MET 198 N 1.00 1.01 -0.60 1.13 2.86 -1.18 0.48 114.93 119.63 1pj0 h MET 198 Ca 0.20 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1pj0 h MET 198 Cb 0.44 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1pj0 h MET 198 CO 0.01 0.77 0.03 0.77 1.06 0.00 0.00 176.91 179.56 1pj0 h SER 199 N 0.99 1.01 -0.76 1.22 0.02 -0.81 -1.05 113.55 114.17 1pj0 h SER 199 Ca 0.25 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1pj0 h SER 199 Cb 0.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1pj0 h SER 199 CO -0.04 1.06 0.27 0.58 -1.14 0.00 0.00 176.83 177.56 1pj0 h VAL 200 N 0.94 1.26 -0.47 2.27 2.07 -0.58 -0.12 116.25 121.62 1pj0 h VAL 200 Ca 0.17 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1pj0 h VAL 200 Cb 0.52 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1pj0 h VAL 200 CO 0.03 0.35 0.31 -1.13 0.02 0.00 0.00 177.57 177.14 1pj0 h ASN 201 N 1.12 0.55 -0.79 0.57 -1.24 -0.52 0.24 115.58 115.51 1pj0 h ASN 201 Ca 0.25 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 1pj0 h ASN 201 Cb 0.26 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 1pj0 h ASN 201 CO -0.01 0.40 0.34 0.00 -1.29 0.00 0.00 177.43 176.87 1pj0 h ALA 202 N 1.17 1.10 0.49 1.57 0.00 -0.69 0.15 119.26 123.05 1pj0 h ALA 202 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pj0 h ALA 202 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1pj0 h ALA 202 CO -0.04 0.65 -0.24 1.25 0.00 0.00 0.00 179.25 180.88 1pj0 h LEU 203 N 1.15 -0.56 -0.61 0.00 5.85 -0.32 0.23 115.31 121.05 1pj0 h LEU 203 Ca 0.27 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1pj0 h LEU 203 Cb 0.18 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1pj0 h LEU 203 CO -0.03 -0.31 0.26 -0.33 -0.34 0.00 0.00 178.44 177.69 1pj0 h GLU 204 N -0.80 0.90 0.00 1.25 4.39 -0.42 -2.70 114.58 117.21 1pj0 h GLU 204 Ca -0.07 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1pj0 h GLU 204 Cb 0.57 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1pj0 h GLU 204 CO 0.11 0.76 -0.82 0.00 -1.16 0.00 0.00 179.01 177.90 1pj0 h ALA 205 N 1.10 0.52 0.00 3.43 0.00 -0.72 -3.40 119.26 120.19 1pj0 h ALA 205 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pj0 h ALA 205 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pj0 h ALA 205 CO -0.02 0.00 -0.02 -0.89 0.00 0.00 0.00 179.25 178.32 1pj0 n ILE 206 N -2.35 0.93 -0.27 0.00 5.41 0.05 -4.58 119.36 118.56 1pj0 n ILE 206 Ca 0.02 0.30 0.03 0.00 1.00 0.00 0.00 62.75 64.10 1pj0 n ILE 206 Cb 0.49 -1.46 0.17 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.02 0.63 -0.39 0.38 3.08 -1.33 -0.53 114.38 116.19 1pj0 h ARG 207 Ca 0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1pj0 h ARG 207 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1pj0 h ARG 207 CO 0.00 0.41 -0.28 0.74 -1.07 0.00 0.00 179.97 179.78 1pj0 h PHE 208 N 0.65 0.97 -0.22 3.04 0.04 -1.69 -2.95 116.94 116.78 1pj0 h PHE 208 Ca 0.39 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 1pj0 h PHE 208 Cb 0.45 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1pj0 h PHE 208 CO -0.10 1.02 -0.45 1.88 -0.60 0.00 0.00 178.31 180.06 1pj0 h TYR 209 N 0.71 0.68 -0.43 -0.55 -1.99 -1.60 -1.24 116.97 112.56 1pj0 h TYR 209 Ca 0.08 -0.21 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 1pj0 h TYR 209 Cb 0.82 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 1pj0 h TYR 209 CO 0.05 0.91 0.07 0.28 -0.00 0.00 0.00 178.16 179.47 1pj0 h VAL 210 N 0.45 1.20 -0.15 -2.88 2.07 -1.11 -2.06 116.25 113.78 1pj0 h VAL 210 Ca 0.03 -0.77 -0.18 0.00 0.82 0.00 0.00 66.70 66.60 1pj0 h VAL 210 Cb 0.97 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1pj0 h VAL 210 CO 0.09 0.27 -0.66 0.77 0.02 0.00 0.00 177.57 178.06 1pj0 h SER 211 N 0.63 0.67 -0.87 0.57 4.64 -1.32 -3.07 113.55 114.81 1pj0 h SER 211 Ca 0.14 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1pj0 h SER 211 Cb 0.29 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1pj0 h SER 211 CO 0.00 1.15 0.55 -0.26 -0.87 0.00 0.00 176.83 177.40 1pj0 h PHE 212 N 0.42 1.12 -0.41 4.77 0.04 -0.70 -1.54 116.94 120.63 1pj0 h PHE 212 Ca -0.02 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1pj0 h PHE 212 Cb 1.24 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1pj0 h PHE 212 CO 0.06 0.72 0.23 0.00 -0.60 0.00 0.00 178.31 178.72 1pj0 h ALA 213 N 1.42 0.52 -0.87 2.45 0.00 -1.30 0.19 119.26 121.67 1pj0 h ALA 213 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1pj0 h ALA 213 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1pj0 h ALA 213 CO -0.06 -0.11 0.44 0.00 0.00 0.00 0.00 179.25 179.51 1pj0 h SER 215 N 1.23 0.02 0.67 0.00 0.02 -0.63 -3.07 113.55 111.79 1pj0 h SER 215 Ca 0.30 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pj0 h SER 215 Cb 0.09 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pj0 h SER 215 CO -0.04 0.32 0.00 -0.26 -1.14 0.00 0.00 176.83 175.71 1pj0 h PHE 216 N -0.28 0.00 -0.09 3.45 0.04 -0.53 -2.31 116.94 117.22 1pj0 h PHE 216 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1pj0 h PHE 216 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1pj0 h PHE 216 CO 0.03 0.00 -0.06 0.00 -0.60 0.00 0.00 178.31 177.68 1pj0 h ALA 217 N 2.04 1.74 0.11 2.45 0.00 -1.17 0.63 119.26 125.05 1pj0 h ALA 217 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1pj0 h ALA 217 Cb 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1pj0 h ALA 217 CO 0.00 0.20 -1.21 0.74 0.00 0.00 0.00 179.25 178.98 1pj0 h PHE 218 N 0.13 0.83 -0.43 0.00 -1.00 -1.53 -3.18 116.94 111.76 1pj0 h PHE 218 Ca 0.03 -0.53 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1pj0 h PHE 218 Cb 0.19 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1pj0 h PHE 218 CO 0.00 1.38 0.28 0.00 -1.61 0.00 0.00 178.31 178.36 1pj0 h ALA 219 N 0.43 1.69 0.00 2.45 0.00 -1.19 0.12 119.26 122.75 1pj0 h ALA 219 Ca -0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1pj0 h ALA 219 Cb 1.88 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1pj0 h ALA 219 CO 0.22 0.29 -0.09 0.93 0.00 0.00 0.00 179.25 180.60 1pj0 h GLU 220 N 0.59 0.00 -0.21 0.00 4.39 -0.90 -0.19 114.58 118.26 1pj0 h GLU 220 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1pj0 h GLU 220 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1pj0 h GLU 220 CO -0.03 0.09 0.00 0.54 -1.16 0.00 0.00 179.01 178.45 1pj0 n ARG 221 N -3.94 1.77 -1.85 2.33 1.74 0.35 -4.90 116.66 112.18 1pj0 n ARG 221 Ca -0.02 -1.17 -0.11 0.00 -0.77 0.00 0.00 57.85 55.78 1pj0 n ARG 221 Cb 0.18 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.40 -0.80 -4.30 5.56 1.02 -0.08 -5.02 120.64 117.41 1pj0 n GLU 222 Ca 0.16 0.66 -0.26 0.00 -0.02 0.00 0.00 57.16 57.70 1pj0 n GLU 222 Cb 0.34 -4.69 -0.09 0.00 -0.02 0.00 0.00 31.44 26.98 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 -2.79 3.00 -1.18 -4.62 1.02 -0.85 -4.73 118.68 108.52 1pj0 s LEU 223 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.42 1pj0 s LEU 223 Cb 0.00 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 1pj0 s LEU 223 CO 0.00 0.07 0.77 0.23 0.02 0.00 0.00 176.35 177.44 1pj0 n MET 224 N -0.24 -2.57 0.00 1.70 2.81 -1.26 -3.41 117.12 114.16 1pj0 n MET 224 Ca -0.09 0.58 -0.11 0.00 -1.81 0.00 0.00 57.70 56.26 1pj0 n MET 224 Cb 0.57 -4.77 -0.06 0.00 -0.71 0.00 0.00 33.22 28.25 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 -1.73 0.10 -0.12 0.03 4.39 -1.92 -1.84 114.58 113.48 1pj0 h GLU 225 Ca -0.64 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.07 1pj0 h GLU 225 Cb 1.35 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1pj0 h GLU 225 CO 0.51 0.11 0.01 0.78 -1.16 0.00 0.00 179.01 179.26 1pj0 h GLY 226 N 0.06 0.12 0.46 -3.84 0.00 -1.91 -1.54 103.07 96.41 1pj0 h GLY 226 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1pj0 h GLY 226 CO -0.00 -0.01 0.16 -0.57 0.00 0.00 0.00 176.54 176.11 1pj0 h ASN 227 N 0.05 0.13 -0.91 0.19 -0.73 -1.86 -1.04 115.58 111.40 1pj0 h ASN 227 Ca 0.05 0.07 0.06 0.00 1.87 0.00 0.00 56.30 58.36 1pj0 h ASN 227 Cb 0.06 0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.66 1pj0 h ASN 227 CO -0.09 0.10 0.57 0.00 -0.37 0.00 0.00 177.43 177.64 1pj0 h ALA 228 N 1.36 1.25 -0.53 1.57 0.00 -0.94 0.27 119.26 122.24 1pj0 h ALA 228 Ca 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1pj0 h ALA 228 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1pj0 h ALA 228 CO -0.28 0.33 0.16 0.87 0.00 0.00 0.00 179.25 180.33 1pj0 h LYS 229 N 1.04 0.84 -0.35 0.00 1.57 -0.22 -1.29 116.57 118.17 1pj0 h LYS 229 Ca 0.40 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1pj0 h LYS 229 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1pj0 h LYS 229 CO -0.17 0.78 -0.00 0.82 -0.57 0.00 0.00 179.45 180.30 1pj0 h ILE 230 N 0.74 1.26 -0.36 1.86 2.04 -0.35 -2.50 117.51 120.19 1pj0 h ILE 230 Ca 0.17 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1pj0 h ILE 230 Cb 0.30 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1pj0 h ILE 230 CO -0.00 0.32 0.12 0.40 0.00 0.00 0.00 178.15 178.99 1pj0 h ILE 231 N 0.42 1.15 -0.63 -0.67 1.08 -0.35 0.90 117.51 119.41 1pj0 h ILE 231 Ca 0.10 -0.51 -0.07 0.00 -0.39 0.00 0.00 64.86 63.99 1pj0 h ILE 231 Cb 0.45 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1pj0 h ILE 231 CO 0.02 0.19 0.13 0.03 -0.69 0.00 0.00 178.15 177.83 1pj0 h ARG 232 N 0.51 1.03 -0.45 2.37 3.08 -1.02 0.95 114.38 120.86 1pj0 h ARG 232 Ca 0.12 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 1pj0 h ARG 232 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1pj0 h ARG 232 CO -0.01 0.94 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.73 1pj0 h LEU 233 N 0.95 0.80 -0.34 3.04 3.38 -0.87 -2.21 115.31 120.06 1pj0 h LEU 233 Ca 0.20 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pj0 h LEU 233 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1pj0 h LEU 233 CO 0.01 0.94 0.14 0.40 0.09 0.00 0.00 178.44 180.01 1pj0 h ILE 234 N 0.65 1.18 -0.63 1.22 2.04 -0.59 -2.79 117.51 118.59 1pj0 h ILE 234 Ca 0.12 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1pj0 h ILE 234 Cb 0.55 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1pj0 h ILE 234 CO 0.03 0.20 0.42 0.00 0.00 0.00 0.00 178.15 178.79 1pj0 h ALA 235 N 0.98 1.57 -1.00 1.87 0.00 -0.72 -0.42 119.26 121.55 1pj0 h ALA 235 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pj0 h ALA 235 Cb 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1pj0 h ALA 235 CO -0.01 0.39 0.66 -0.09 0.00 0.00 0.00 179.25 180.20 1pj0 h ARG 236 N 0.83 1.26 -0.10 0.00 2.43 -1.14 -1.48 114.38 116.19 1pj0 h ARG 236 Ca 0.23 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1pj0 h ARG 236 Cb -0.07 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 1pj0 h ARG 236 CO -0.05 0.83 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.63 1pj0 h ASP 237 N 1.29 0.31 -0.30 -3.80 3.32 -0.96 -3.16 116.42 113.13 1pj0 h ASP 237 Ca 0.39 -0.54 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1pj0 h ASP 237 Cb -0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1pj0 h ASP 237 CO -0.11 0.80 0.21 -0.33 -1.72 0.00 0.00 179.24 178.09 1pj0 h GLU 238 N -0.16 0.09 -0.63 3.56 4.39 -0.85 0.16 114.58 121.14 1pj0 h GLU 238 Ca 0.01 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1pj0 h GLU 238 Cb 0.74 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1pj0 h GLU 238 CO 0.04 0.06 0.20 0.00 -1.16 0.00 0.00 179.01 178.14 1pj0 h ALA 239 N 1.85 1.16 -0.24 3.43 0.00 -1.24 -0.61 119.26 123.61 1pj0 h ALA 239 Ca 0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1pj0 h ALA 239 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pj0 h ALA 239 CO -0.01 0.58 -0.49 -0.07 0.00 0.00 0.00 179.25 179.26 1pj0 h LEU 240 N 0.92 0.85 -0.40 0.00 3.38 -1.03 -2.34 115.31 116.69 1pj0 h LEU 240 Ca 0.21 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1pj0 h LEU 240 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1pj0 h LEU 240 CO -0.01 1.24 0.26 0.45 0.09 0.00 0.00 178.44 180.47 1pj0 h HIS 241 N 0.50 0.51 0.00 1.13 3.86 -0.79 0.47 115.15 120.82 1pj0 h HIS 241 Ca 0.01 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1pj0 h HIS 241 Cb 1.10 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1pj0 h HIS 241 CO 0.08 0.33 -0.23 1.37 0.86 0.00 0.00 177.93 180.34 1pj0 h LEU 242 N 0.53 0.00 -0.41 2.43 8.10 -1.18 -1.59 115.31 123.19 1pj0 h LEU 242 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.05 1pj0 h LEU 242 Cb -0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.16 1pj0 h LEU 242 CO -0.03 0.23 -0.09 0.74 -4.11 0.00 0.00 178.44 175.18 1pj0 h THR 243 N 0.00 1.27 -0.29 0.15 2.02 -0.82 -0.67 112.91 114.57 1pj0 h THR 243 Ca -0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1pj0 h THR 243 Cb 0.90 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1pj0 h THR 243 CO 0.03 0.40 0.18 1.23 0.37 0.00 0.00 175.52 177.73 1pj0 h GLY 244 N 0.60 0.42 1.47 2.16 0.00 -0.37 -1.57 103.07 105.78 1pj0 h GLY 244 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1pj0 h GLY 244 CO 0.04 0.16 -0.44 -0.91 0.00 0.00 0.00 176.54 175.39 1pj0 h THR 245 N 0.38 1.30 -0.83 4.70 1.35 -1.21 -1.52 112.91 117.08 1pj0 h THR 245 Ca 0.11 -1.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1pj0 h THR 245 Cb -0.01 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 67.98 1pj0 h THR 245 CO -0.02 0.51 0.38 1.56 -0.25 0.00 0.00 175.52 177.71 1pj0 h GLN 246 N 0.47 1.21 -0.32 4.72 4.20 -0.98 -0.66 115.11 123.75 1pj0 h GLN 246 Ca 0.03 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1pj0 h GLN 246 Cb 0.96 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1pj0 h GLN 246 CO 0.09 0.94 -0.20 0.45 -0.67 0.00 0.00 178.83 179.44 1pj0 h HIS 247 N 1.19 0.81 0.06 2.96 3.86 -1.08 -0.03 115.15 122.92 1pj0 h HIS 247 Ca 0.28 -0.21 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1pj0 h HIS 247 Cb 0.14 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1pj0 h HIS 247 CO 0.02 0.93 -0.16 0.52 0.86 0.00 0.00 177.93 180.10 1pj0 h MET 248 N 0.46 -0.28 -0.51 2.45 2.86 -1.01 0.12 114.93 119.01 1pj0 h MET 248 Ca 0.07 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1pj0 h MET 248 Cb 0.74 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1pj0 h MET 248 CO 0.05 -0.19 0.26 -0.07 1.06 0.00 0.00 176.91 178.03 1pj0 h LEU 249 N -0.29 0.66 -0.86 1.22 3.38 -1.07 -1.81 115.31 116.54 1pj0 h LEU 249 Ca 0.03 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1pj0 h LEU 249 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1pj0 h LEU 249 CO -0.11 0.59 -0.56 0.78 0.09 0.00 0.00 178.44 179.23 1pj0 h ASN 250 N 0.69 0.02 -0.23 -0.43 2.35 -0.83 -1.30 115.58 115.85 1pj0 h ASN 250 Ca 0.18 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.76 1pj0 h ASN 250 Cb 0.10 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1pj0 h ASN 250 CO -0.02 0.58 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.81 1pj0 h LEU 251 N 0.01 0.85 -0.34 1.61 3.38 -0.57 -1.76 115.31 118.49 1pj0 h LEU 251 Ca -0.01 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1pj0 h LEU 251 Cb 1.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1pj0 h LEU 251 CO 0.07 1.17 -0.02 -0.07 0.09 0.00 0.00 178.44 179.69 1pj0 h LEU 252 N 0.63 0.61 -1.83 1.67 3.38 -1.17 -2.89 115.31 115.71 1pj0 h LEU 252 Ca 0.04 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1pj0 h LEU 252 Cb 1.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1pj0 h LEU 252 CO 0.10 0.79 0.06 -0.09 0.09 0.00 0.00 178.44 179.39 1pj0 h ARG 253 N 0.42 0.17 0.00 1.13 9.65 -1.14 -2.84 114.38 121.78 1pj0 h ARG 253 Ca 0.10 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1pj0 h ARG 253 Cb 0.49 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1pj0 h ARG 253 CO 0.02 0.13 -0.08 0.66 2.80 0.00 0.00 179.97 183.50 1pj0 h SER 254 N 0.18 0.00 0.00 -3.80 4.64 -1.09 -3.45 113.55 110.02 1pj0 h SER 254 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1pj0 h SER 254 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1pj0 h SER 254 CO -0.01 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1pj0 n GLY 255 N -0.05 0.76 0.12 -0.77 0.00 -1.08 -4.89 105.19 99.29 1pj0 n GLY 255 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.90 -3.00 4.61 0.00 -1.83 -3.42 119.26 116.51 1pj0 h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pj0 h ALA 256 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pj0 h ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1pj0 n ASP 257 N -2.42 0.00 -4.63 0.00 2.03 -1.26 -4.98 116.55 105.29 1pj0 n ASP 257 Ca 0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 1pj0 n ASP 257 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 1pj0 n ASP 257 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pj0 n ASP 258 N 0.00 3.67 -0.17 1.67 -0.08 -1.26 -4.85 116.55 115.53 1pj0 n ASP 258 Ca 0.00 0.59 0.09 0.00 -1.51 0.00 0.00 54.79 53.96 1pj0 n ASP 258 Cb 0.00 -1.52 0.40 0.00 2.34 0.00 0.00 41.12 42.34 1pj0 n ASP 258 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pj0 h PRO 259 N 12.53 0.62 -0.26 -0.67 0.11 -1.94 -1.11 132.00 141.29 1pj0 h PRO 259 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1pj0 h PRO 259 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1pj0 h PRO 259 CO 0.95 0.41 -0.05 1.49 -0.21 0.00 0.00 178.00 180.59 1pj0 h GLU 260 N 0.64 0.41 -0.13 1.05 4.81 -1.96 -2.13 114.58 117.27 1pj0 h GLU 260 Ca 0.33 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1pj0 h GLU 260 Cb 0.43 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1pj0 h GLU 260 CO -0.11 0.48 -0.29 0.52 -0.73 0.00 0.00 179.01 178.88 1pj0 h MET 261 N 0.39 0.25 -0.37 1.92 2.86 -1.51 -0.86 114.93 117.60 1pj0 h MET 261 Ca 0.08 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1pj0 h MET 261 Cb 0.34 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1pj0 h MET 261 CO 0.01 0.52 -0.25 0.00 1.06 0.00 0.00 176.91 178.25 1pj0 h ALA 262 N 1.49 0.87 -0.46 6.32 0.00 -1.28 0.64 119.26 126.84 1pj0 h ALA 262 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1pj0 h ALA 262 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pj0 h ALA 262 CO 0.05 0.63 -0.05 0.93 0.00 0.00 0.00 179.25 180.80 1pj0 h GLU 263 N 0.65 0.85 -0.31 0.00 5.08 -1.15 -2.73 114.58 116.97 1pj0 h GLU 263 Ca 0.09 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1pj0 h GLU 263 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1pj0 h GLU 263 CO 0.06 0.93 0.06 0.82 -1.00 0.00 0.00 179.01 179.88 1pj0 h ILE 264 N 0.70 1.23 -0.93 3.13 2.04 -0.85 -1.05 117.51 121.77 1pj0 h ILE 264 Ca 0.12 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.32 1pj0 h ILE 264 Cb 0.58 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 1pj0 h ILE 264 CO 0.03 0.26 0.60 0.00 0.00 0.00 0.00 178.15 179.04 1pj0 h ALA 265 N 0.89 1.64 -0.19 1.87 0.00 -0.82 0.45 119.26 123.10 1pj0 h ALA 265 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1pj0 h ALA 265 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pj0 h ALA 265 CO 0.00 0.14 -0.23 1.49 0.00 0.00 0.00 179.25 180.65 1pj0 h GLU 266 N 0.88 0.49 -0.08 0.00 4.57 -1.16 -2.31 114.58 116.97 1pj0 h GLU 266 Ca 0.45 -0.27 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1pj0 h GLU 266 Cb 0.51 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1pj0 h GLU 266 CO -0.21 0.86 -0.48 0.93 -1.18 0.00 0.00 179.01 178.93 1pj0 h GLU 267 N 0.14 0.20 0.00 1.92 5.08 -0.37 -3.08 114.58 118.48 1pj0 h GLU 267 Ca 0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pj0 h GLU 267 Cb 0.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1pj0 h GLU 267 CO 0.06 0.64 -0.03 0.00 -1.00 0.00 0.00 179.01 178.68 1pj0 n LYS 269 N -1.64 -0.07 -0.05 0.00 2.85 -0.87 -0.04 118.16 118.33 1pj0 n LYS 269 Ca 0.07 1.38 -0.09 0.00 -1.05 0.00 0.00 58.31 58.62 1pj0 n LYS 269 Cb 0.36 -2.26 0.07 0.00 -0.65 0.00 0.00 35.03 32.55 1pj0 n LYS 269 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1pj0 h GLN 270 N 0.00 0.69 -0.43 -1.58 5.75 -1.86 -1.51 115.11 116.17 1pj0 h GLN 270 Ca 0.62 -0.34 -0.10 0.00 -0.15 0.00 0.00 58.65 58.69 1pj0 h GLN 270 Cb 1.39 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.92 1pj0 h GLN 270 CO -0.85 0.94 -0.13 0.93 -2.65 0.00 0.00 178.83 177.08 1pj0 h GLU 271 N 0.57 0.79 0.15 1.69 3.07 -0.77 0.51 114.58 120.60 1pj0 h GLU 271 Ca 0.06 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1pj0 h GLU 271 Cb 0.89 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1pj0 h GLU 271 CO 0.08 0.88 -0.10 0.00 -1.40 0.00 0.00 179.01 178.47 1pj0 h TYR 273 N -0.25 -0.77 -0.91 0.00 3.20 -1.00 -2.43 116.97 114.81 1pj0 h TYR 273 Ca -0.01 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.98 1pj0 h TYR 273 Cb 0.21 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 1pj0 h TYR 273 CO -0.09 -0.37 0.55 -0.44 -1.64 0.00 0.00 178.16 176.17 1pj0 h ASP 274 N -0.41 0.81 -0.57 -2.11 3.32 -0.65 -1.70 116.42 115.12 1pj0 h ASP 274 Ca 0.07 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1pj0 h ASP 274 Cb 0.51 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1pj0 h ASP 274 CO -0.27 0.46 0.25 0.25 -1.72 0.00 0.00 179.24 178.21 1pj0 h LEU 275 N 0.91 0.30 -0.33 1.55 7.12 -0.62 0.84 115.31 125.09 1pj0 h LEU 275 Ca 0.43 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 58.41 1pj0 h LEU 275 Cb 0.37 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 1pj0 h LEU 275 CO -0.24 0.20 -0.15 -0.26 -0.13 0.00 0.00 178.44 177.86 1pj0 h PHE 276 N 0.46 0.78 -0.64 1.25 0.04 -1.10 -1.02 116.94 116.70 1pj0 h PHE 276 Ca 0.27 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1pj0 h PHE 276 Cb 0.26 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1pj0 h PHE 276 CO -0.13 0.89 0.40 0.28 -0.60 0.00 0.00 178.31 179.14 1pj0 h VAL 277 N 0.45 1.10 -0.29 -0.55 2.07 -0.82 -0.23 116.25 117.98 1pj0 h VAL 277 Ca 0.07 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1pj0 h VAL 277 Cb 0.67 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1pj0 h VAL 277 CO 0.05 0.15 0.08 1.56 0.02 0.00 0.00 177.57 179.42 1pj0 h GLN 278 N 0.80 0.46 -0.36 1.57 7.50 -0.72 -1.83 115.11 122.53 1pj0 h GLN 278 Ca 0.25 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.30 1pj0 h GLN 278 Cb -0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 1pj0 h GLN 278 CO -0.09 0.53 0.23 0.00 -1.50 0.00 0.00 178.83 178.01 1pj0 h ALA 279 N 0.91 0.46 -0.55 3.87 0.00 -0.85 -1.34 119.26 121.76 1pj0 h ALA 279 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pj0 h ALA 279 Cb 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1pj0 h ALA 279 CO -0.00 -0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.48 1pj0 h ALA 280 N 1.14 0.71 -0.40 0.00 0.00 -0.97 -1.41 119.26 118.32 1pj0 h ALA 280 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pj0 h ALA 280 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pj0 h ALA 280 CO -0.04 0.04 0.16 0.37 0.00 0.00 0.00 179.25 179.78 1pj0 h GLN 281 N 0.64 0.57 -0.55 0.00 5.75 -0.87 -1.42 115.11 119.23 1pj0 h GLN 281 Ca 0.22 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.54 1pj0 h GLN 281 Cb 0.04 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1pj0 h GLN 281 CO -0.11 0.47 -0.11 1.96 -2.65 0.00 0.00 178.83 178.39 1pj0 h GLN 282 N 0.57 1.04 -0.31 1.69 4.20 -0.37 -0.84 115.11 121.09 1pj0 h GLN 282 Ca 0.14 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 1pj0 h GLN 282 Cb 0.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1pj0 h GLN 282 CO -0.01 1.08 -0.19 0.93 -0.67 0.00 0.00 178.83 179.97 1pj0 h GLU 283 N 0.92 0.57 -0.04 1.46 4.39 -0.65 -2.66 114.58 118.56 1pj0 h GLU 283 Ca 0.14 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1pj0 h GLU 283 Cb 0.69 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1pj0 h GLU 283 CO 0.05 0.73 -0.04 0.87 -1.16 0.00 0.00 179.01 179.45 1pj0 h LYS 284 N 0.51 0.11 -0.31 2.33 1.57 -1.07 -3.15 116.57 116.56 1pj0 h LYS 284 Ca 0.08 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1pj0 h LYS 284 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1pj0 h LYS 284 CO 0.04 0.57 0.23 -0.44 -0.57 0.00 0.00 179.45 179.28 1pj0 h ASP 285 N -0.35 0.00 0.28 0.86 3.32 -1.09 0.18 116.42 119.62 1pj0 h ASP 285 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1pj0 h ASP 285 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1pj0 h ASP 285 CO 0.01 0.00 -0.00 -0.25 -1.72 0.00 0.00 179.24 177.28 1pj0 h TRP 286 N 0.00 0.00 -0.77 4.55 2.91 -1.43 -2.74 115.95 118.48 1pj0 h TRP 286 Ca 0.15 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 1pj0 h TRP 286 Cb 0.60 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.22 1pj0 h TRP 286 CO 0.00 0.00 0.40 0.00 -1.03 0.00 0.00 178.44 177.82 1pj0 h ALA 287 N 2.00 0.98 -0.75 2.65 0.00 -1.07 -0.48 119.26 122.59 1pj0 h ALA 287 Ca -0.00 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1pj0 h ALA 287 Cb 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1pj0 h ALA 287 CO 0.00 0.51 0.49 -0.44 0.00 0.00 0.00 179.25 179.82 1pj0 h ASP 288 N 1.07 0.51 0.00 0.00 3.32 -1.66 -0.58 116.42 119.08 1pj0 h ASP 288 Ca 0.27 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1pj0 h ASP 288 Cb 0.06 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pj0 h ASP 288 CO -0.04 0.29 -0.16 0.22 -1.72 0.00 0.00 179.24 177.83 1pj0 h TYR 289 N 0.56 0.00 -0.88 4.55 3.20 -1.60 -2.93 116.97 119.87 1pj0 h TYR 289 Ca 0.36 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.41 1pj0 h TYR 289 Cb 0.62 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.78 1pj0 h TYR 289 CO -0.00 0.86 0.42 1.25 -1.64 0.00 0.00 178.16 179.05 1pj0 h LEU 290 N -1.00 0.44 -3.48 2.82 5.85 -0.79 -1.54 115.31 117.61 1pj0 h LEU 290 Ca -0.04 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1pj0 h LEU 290 Cb 0.85 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1pj0 h LEU 290 CO -0.02 0.11 0.08 0.49 -0.34 0.00 0.00 178.44 178.76 1pj0 n PHE 291 N -4.95 1.65 -0.20 1.25 3.72 -0.25 -4.40 117.46 114.27 1pj0 n PHE 291 Ca 0.20 -1.06 0.07 0.00 -0.05 0.00 0.00 57.45 56.61 1pj0 n PHE 291 Cb 0.55 -0.50 0.36 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.31 0.72 -0.41 -1.08 0.11 -1.07 -1.19 114.38 113.77 1pj0 h ARG 292 Ca 0.12 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1pj0 h ARG 292 Cb 1.86 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.78 1pj0 h ARG 292 CO 0.46 0.48 0.00 -0.25 0.10 0.00 0.00 179.97 180.76 1pj0 n ASP 293 N -4.49 3.06 0.00 0.08 8.00 -1.26 -5.03 116.55 116.91 1pj0 n ASP 293 Ca 0.12 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1pj0 n ASP 293 Cb 0.27 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1pj0 n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pj0 n GLY 294 N 1.43 3.48 0.00 0.44 0.00 -0.45 -4.80 105.19 105.28 1pj0 n GLY 294 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1pj0 n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pj0 n SER 295 N 0.00 1.24 -4.35 1.61 3.41 -1.26 -4.50 113.62 109.77 1pj0 n SER 295 Ca 0.00 -0.88 -0.18 0.00 -0.26 0.00 0.00 58.87 57.55 1pj0 n SER 295 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1pj0 n SER 295 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1pj0 s MET 296 N -1.54 1.34 0.08 4.33 -1.94 -0.33 -4.98 119.30 116.26 1pj0 s MET 296 Ca 0.00 -1.64 -0.31 0.00 -1.71 0.00 0.00 55.69 52.03 1pj0 s MET 296 Cb 0.00 -0.92 -0.08 0.00 2.01 0.00 0.00 34.83 35.85 1pj0 s MET 296 CO 0.00 0.06 1.55 0.42 -0.01 0.00 0.00 175.02 177.04 1pj0 s ILE 297 N -3.16 3.15 0.00 2.53 1.01 -1.26 -1.66 121.20 121.81 1pj0 s ILE 297 Ca 0.25 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1pj0 s ILE 297 Cb 0.03 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1pj0 s ILE 297 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1pj0 n GLY 298 N 3.82 1.59 2.66 6.18 0.00 -1.26 -4.98 105.19 113.20 1pj0 n GLY 298 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.15 0.00 0.99 2.96 -0.66 -4.99 118.68 117.13 1pj0 s LEU 299 Ca 0.00 -0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 53.13 1pj0 s LEU 299 Cb 0.00 0.06 0.02 0.00 0.50 0.00 0.00 46.19 46.76 1pj0 s LEU 299 CO 0.00 -0.38 0.50 -0.46 -1.32 0.00 0.00 176.35 174.69 1pj0 n ASN 300 N 5.29 -1.41 -0.07 3.68 0.23 -1.26 -1.18 115.26 120.53 1pj0 n ASN 300 Ca -0.05 -2.61 -0.07 0.00 -0.53 0.00 0.00 54.58 51.31 1pj0 n ASN 300 Cb 0.47 2.53 -0.00 0.00 -2.08 0.00 0.00 39.78 40.70 1pj0 n ASN 300 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1pj0 h LYS 301 N 0.00 0.13 -0.33 -3.83 3.64 -1.98 -0.63 116.57 113.57 1pj0 h LYS 301 Ca -0.25 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1pj0 h LYS 301 Cb 1.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1pj0 h LYS 301 CO 0.34 0.08 0.19 -0.44 -2.27 0.00 0.00 179.45 177.35 1pj0 h ASP 302 N 0.13 0.30 -0.66 4.20 5.19 -1.99 0.04 116.42 123.64 1pj0 h ASP 302 Ca 0.13 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1pj0 h ASP 302 Cb 0.16 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1pj0 h ASP 302 CO -0.20 0.22 0.31 0.40 -3.12 0.00 0.00 179.24 176.86 1pj0 h ILE 303 N 0.39 1.22 -0.61 0.35 2.04 -1.89 -1.07 117.51 117.94 1pj0 h ILE 303 Ca 0.13 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1pj0 h ILE 303 Cb 0.01 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1pj0 h ILE 303 CO -0.07 0.26 0.24 0.25 0.00 0.00 0.00 178.15 178.83 1pj0 h LEU 304 N 0.91 0.85 -0.55 1.44 6.46 -0.76 -1.00 115.31 122.65 1pj0 h LEU 304 Ca 0.22 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1pj0 h LEU 304 Cb 0.13 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1pj0 h LEU 304 CO -0.03 0.79 0.18 0.00 -0.62 0.00 0.00 178.44 178.76 1pj0 h GLN 306 N 0.76 1.07 -0.51 0.00 4.20 -0.97 -1.92 115.11 117.74 1pj0 h GLN 306 Ca 0.18 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1pj0 h GLN 306 Cb 0.27 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1pj0 h GLN 306 CO -0.01 0.86 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.01 1pj0 h TYR 307 N 1.03 1.06 -0.59 2.96 3.20 -0.85 -0.46 116.97 123.33 1pj0 h TYR 307 Ca 0.25 -0.21 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1pj0 h TYR 307 Cb 0.16 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 1pj0 h TYR 307 CO 0.01 1.00 0.34 0.28 -1.64 0.00 0.00 178.16 178.16 1pj0 h VAL 308 N 0.82 1.04 -0.40 1.81 2.07 -0.81 -0.14 116.25 120.63 1pj0 h VAL 308 Ca 0.13 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 1pj0 h VAL 308 Cb 0.63 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1pj0 h VAL 308 CO 0.04 0.12 -0.26 -0.33 0.02 0.00 0.00 177.57 177.16 1pj0 h GLU 309 N 0.67 0.83 0.40 1.57 5.08 -1.13 -0.66 114.58 121.34 1pj0 h GLU 309 Ca 0.24 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1pj0 h GLU 309 Cb 0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pj0 h GLU 309 CO -0.12 1.00 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.74 1pj0 h TYR 310 N 0.71 -0.59 -0.25 4.33 3.20 -0.49 -2.32 116.97 121.57 1pj0 h TYR 310 Ca 0.09 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 1pj0 h TYR 310 Cb 0.80 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1pj0 h TYR 310 CO 0.04 -0.35 -0.46 0.97 -1.64 0.00 0.00 178.16 176.72 1pj0 h ILE 311 N -0.59 1.30 -0.38 1.81 6.09 -1.02 -2.92 117.51 121.81 1pj0 h ILE 311 Ca -0.05 -1.66 0.01 0.00 -1.37 0.00 0.00 64.86 61.79 1pj0 h ILE 311 Cb 0.47 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.34 1pj0 h ILE 311 CO 0.06 0.53 0.24 0.74 -3.07 0.00 0.00 178.15 176.64 1pj0 h THR 312 N 0.53 1.07 -0.61 2.19 2.02 -1.07 -0.14 112.91 116.90 1pj0 h THR 312 Ca 0.03 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1pj0 h THR 312 Cb 1.01 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1pj0 h THR 312 CO 0.09 0.09 0.34 0.78 0.37 0.00 0.00 175.52 177.19 1pj0 h ASN 313 N 0.48 0.51 -0.23 4.18 4.21 -1.38 0.11 115.58 123.47 1pj0 h ASN 313 Ca 0.14 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 1pj0 h ASN 313 Cb -0.03 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1pj0 h ASN 313 CO -0.05 0.34 0.14 0.40 -1.29 0.00 0.00 177.43 176.97 1pj0 h ILE 314 N 0.64 1.09 -0.59 2.81 2.04 -1.23 -1.32 117.51 120.96 1pj0 h ILE 314 Ca 0.27 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 1pj0 h ILE 314 Cb 0.14 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1pj0 h ILE 314 CO -0.16 0.09 0.10 0.03 0.00 0.00 0.00 178.15 178.20 1pj0 h ARG 315 N 0.29 0.97 -0.47 2.37 2.47 -0.58 -2.52 114.38 116.91 1pj0 h ARG 315 Ca 0.08 -0.26 -0.09 0.00 -1.26 0.00 0.00 59.98 58.46 1pj0 h ARG 315 Cb 0.02 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1pj0 h ARG 315 CO -0.02 0.92 -0.07 0.52 0.56 0.00 0.00 179.97 181.89 1pj0 h MET 316 N 0.87 0.82 -0.38 0.04 2.86 -0.65 -2.51 114.93 115.98 1pj0 h MET 316 Ca 0.18 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1pj0 h MET 316 Cb 0.42 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1pj0 h MET 316 CO 0.01 0.87 -0.02 0.37 1.06 0.00 0.00 176.91 179.20 1pj0 h GLN 317 N 0.75 0.60 0.00 1.72 -0.00 -1.13 -0.33 115.11 116.73 1pj0 h GLN 317 Ca 0.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1pj0 h GLN 317 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.95 1pj0 h GLN 317 CO 0.03 0.64 -0.05 0.00 0.00 0.00 0.00 178.83 179.45 1pj0 h ALA 318 N 1.41 1.15 -0.19 3.38 0.00 -1.00 -2.38 119.26 121.63 1pj0 h ALA 318 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1pj0 h ALA 318 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pj0 h ALA 318 CO 0.02 0.06 -0.03 1.33 0.00 0.00 0.00 179.25 180.62 1pj0 n VAL 319 N -3.35 2.22 -1.08 0.00 0.24 -0.95 -4.98 118.33 110.43 1pj0 n VAL 319 Ca -0.02 -2.20 -0.03 0.00 -2.04 0.00 0.00 64.34 60.06 1pj0 n VAL 319 Cb 0.19 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.28 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 0.60 3.88 7.63 0.00 -0.90 -4.97 105.19 110.54 1pj0 n GLY 320 Ca 0.22 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.65 4.24 0.75 0.99 1.43 -0.17 -5.00 118.68 120.27 1pj0 s LEU 321 Ca 0.00 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 1pj0 s LEU 321 Cb 0.00 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.86 1pj0 s LEU 321 CO 0.00 0.02 1.19 -1.81 0.23 0.00 0.00 176.35 175.98 1pj0 s ASP 322 N -2.27 4.09 -0.25 2.29 1.01 -1.26 -4.04 116.67 116.24 1pj0 s ASP 322 Ca 0.42 2.29 -0.17 0.00 0.71 0.00 0.00 52.55 55.80 1pj0 s ASP 322 Cb -0.12 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1pj0 s ASP 322 CO 0.22 -2.33 0.48 -0.76 0.21 0.00 0.00 175.17 172.99 1pj0 s LEU 323 N -5.36 4.07 0.24 1.23 1.43 -1.26 -4.86 118.68 114.18 1pj0 s LEU 323 Ca 0.72 0.51 0.13 0.00 -1.03 0.00 0.00 54.13 54.46 1pj0 s LEU 323 Cb -0.27 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.38 1pj0 s LEU 323 CO 0.47 -0.23 1.43 1.55 0.23 0.00 0.00 176.35 179.80 1pj0 h PRO 324 N 7.89 0.00 -6.05 1.29 0.13 -1.96 -3.47 132.00 129.83 1pj0 h PRO 324 Ca -0.31 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.27 1pj0 h PRO 324 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1pj0 h PRO 324 CO 0.71 0.63 -0.48 -0.06 -0.23 0.00 0.00 178.00 178.57 1pj0 s PHE 325 N -2.95 3.45 0.45 1.56 0.08 -1.26 -5.07 117.98 114.24 1pj0 s PHE 325 Ca 0.03 0.12 -0.24 0.00 0.12 0.00 0.00 56.93 56.95 1pj0 s PHE 325 Cb 0.09 -1.66 -0.08 0.00 -0.57 0.00 0.00 43.02 40.80 1pj0 s PHE 325 CO 0.76 0.52 1.32 1.21 -0.10 0.00 0.00 175.22 178.94 1pj0 s ASN 326 N -3.13 5.97 0.33 1.36 2.47 -1.26 -4.93 114.94 115.75 1pj0 s ASN 326 Ca 0.34 2.68 -0.28 0.00 0.42 0.00 0.00 52.86 56.03 1pj0 s ASN 326 Cb -0.11 -2.64 -0.10 0.00 -1.45 0.00 0.00 41.25 36.96 1pj0 s ASN 326 CO 0.28 -1.09 1.21 0.42 -3.72 0.00 0.00 177.10 174.19 1pj0 s THR 327 N -1.30 3.07 0.18 -5.21 -4.23 -1.26 -4.92 115.64 101.96 1pj0 s THR 327 Ca 0.62 1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 62.01 1pj0 s THR 327 Cb -0.38 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 69.84 1pj0 s THR 327 CO 0.48 0.21 0.42 0.00 -0.54 0.00 0.00 174.62 175.20 1pj0 s ARG 328 N -1.82 1.27 0.65 3.99 1.70 -1.26 -5.16 118.95 118.32 1pj0 s ARG 328 Ca 0.50 -0.96 -0.08 0.00 -0.47 0.00 0.00 55.73 54.71 1pj0 s ARG 328 Cb -0.35 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1pj0 s ARG 328 CO 0.46 -0.51 1.00 -1.12 -1.08 0.00 0.00 175.30 174.05 1pj0 s SER 329 N -2.90 5.45 0.02 -2.89 0.01 -1.26 -4.96 113.70 107.16 1pj0 s SER 329 Ca 0.11 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 1pj0 s SER 329 Cb 0.01 -1.75 -0.09 0.00 0.21 0.00 0.00 66.02 64.40 1pj0 s SER 329 CO -0.03 -1.24 1.98 0.21 0.41 0.00 0.00 173.24 174.57 1pj0 s ASN 330 N -4.35 6.38 0.09 2.44 3.84 -1.26 -4.85 114.94 117.23 1pj0 s ASN 330 Ca 0.56 2.61 0.23 0.00 0.21 0.00 0.00 52.86 56.47 1pj0 s ASN 330 Cb -0.11 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.99 1pj0 s ASN 330 CO 0.48 -1.12 1.72 -0.81 -2.79 0.00 0.00 177.10 174.58 1pj0 n PRO 331 N 7.62 0.09 -3.19 0.43 -0.04 -1.26 -3.99 135.00 134.66 1pj0 n PRO 331 Ca 0.21 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.65 1pj0 n PRO 331 Cb 0.41 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 1pj0 n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1pj0 n ILE 332 N -1.78 -0.21 0.27 0.52 -5.35 -1.26 -4.95 119.36 106.59 1pj0 n ILE 332 Ca 0.05 -4.38 0.15 0.00 -0.27 0.00 0.00 62.75 58.30 1pj0 n ILE 332 Cb 0.29 -1.16 0.82 0.00 -1.74 0.00 0.00 39.64 37.85 1pj0 n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1pj0 h PRO 333 N 3.51 0.00 0.00 6.28 0.13 -1.99 -0.91 132.00 139.02 1pj0 h PRO 333 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1pj0 h PRO 333 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1pj0 h PRO 333 CO 0.50 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.60 1pj0 n TRP 334 N -2.68 0.67 0.17 1.56 4.27 -1.26 -2.45 117.44 117.73 1pj0 n TRP 334 Ca -0.02 0.29 0.03 0.00 -3.89 0.00 0.00 57.50 53.91 1pj0 n TRP 334 Cb 0.20 -0.96 0.28 0.00 -1.36 0.00 0.00 31.31 29.47 1pj0 n TRP 334 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1pj0 h ILE 335 N 0.00 1.10 -0.82 -1.67 2.10 -1.59 -3.11 117.51 113.52 1pj0 h ILE 335 Ca 0.00 -1.71 0.06 0.00 1.08 0.00 0.00 64.86 64.30 1pj0 h ILE 335 Cb 0.26 1.99 -0.05 0.00 -1.09 0.00 0.00 36.82 37.92 1pj0 h ILE 335 CO 0.00 0.45 0.54 0.78 -1.08 0.00 0.00 178.15 178.83 1pj0 h ASN 336 N 0.00 0.79 -0.83 2.19 2.35 -1.70 -0.73 115.58 117.65 1pj0 h ASN 336 Ca -0.00 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 1pj0 h ASN 336 Cb 0.95 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.10 1pj0 h ASN 336 CO 0.06 0.51 0.55 0.74 -1.65 0.00 0.00 177.43 177.64 1pj0 h THR 337 N 0.90 0.75 0.00 2.81 2.02 -1.74 -1.98 112.91 115.67 1pj0 h THR 337 Ca 0.35 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 1pj0 h THR 337 Cb 0.23 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1pj0 h THR 337 CO -0.13 0.08 -1.32 0.79 0.37 0.00 0.00 175.52 175.31 1pj0 n TRP 338 N -4.50 0.89 -3.28 3.16 7.02 -0.34 -4.94 117.44 115.45 1pj0 n TRP 338 Ca 0.17 0.28 -0.26 0.00 -1.02 0.00 0.00 57.50 56.67 1pj0 n TRP 338 Cb 0.60 -1.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.47 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 -5.53 3.98 0.00 -0.99 1.02 -0.74 -4.80 118.68 111.62 1pj0 s LEU 339 Ca -0.03 0.58 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1pj0 s LEU 339 Cb 0.09 -3.44 0.00 0.00 0.02 0.00 0.00 46.19 42.86 1pj0 s LEU 339 CO 0.81 -0.30 0.00 1.33 0.02 0.00 0.00 176.35 178.21