#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj1 s TYR 2 N 0.00 3.63 -0.01 0.00 5.04 -1.26 -5.05 117.35 119.70 1pj1 s TYR 2 Ca 0.00 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.23 1pj1 s TYR 2 Cb 0.00 -2.78 -0.00 0.00 0.35 0.00 0.00 41.96 39.53 1pj1 s TYR 2 CO 0.00 0.23 -0.05 -0.08 -1.34 0.00 0.00 175.55 174.31 1pj1 s THR 3 N -1.64 0.36 -0.75 4.34 -1.32 -1.26 -5.02 115.64 110.35 1pj1 s THR 3 Ca 0.48 -0.19 0.21 0.00 -1.21 0.00 0.00 61.69 60.99 1pj1 s THR 3 Cb -0.17 -0.32 0.20 0.00 -1.51 0.00 0.00 72.50 70.71 1pj1 s THR 3 CO 0.21 0.11 1.65 0.35 -2.21 0.00 0.00 174.62 174.73 1pj1 n THR 4 N 3.02 0.78 -3.23 5.08 -2.24 -1.26 -4.39 114.28 112.04 1pj1 n THR 4 Ca -0.13 0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1pj1 n THR 4 Cb 0.58 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 1pj1 n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pj1 s PHE 5 N -3.15 -1.47 0.06 4.78 5.36 -1.26 -4.86 117.98 117.44 1pj1 s PHE 5 Ca 0.07 0.18 -0.30 0.00 -0.96 0.00 0.00 56.93 55.92 1pj1 s PHE 5 Cb 0.11 0.17 -0.09 0.00 -0.34 0.00 0.00 43.02 42.87 1pj1 s PHE 5 CO 0.38 -1.12 1.85 -1.54 -1.46 0.00 0.00 175.22 173.33 1pj1 s SER 6 N 1.94 6.48 0.00 6.13 1.04 -1.26 -4.87 113.70 123.16 1pj1 s SER 6 Ca 0.15 2.63 0.26 0.00 0.48 0.00 0.00 55.95 59.48 1pj1 s SER 6 Cb -0.07 -2.55 1.48 0.00 0.10 0.00 0.00 66.02 64.99 1pj1 s SER 6 CO -0.10 -1.00 1.91 0.00 0.98 0.00 0.00 173.24 175.03 1pj1 n GLN 7 N 6.65 0.67 -3.17 4.02 0.00 -1.26 -4.72 117.38 119.57 1pj1 n GLN 7 Ca 0.18 0.02 -0.39 0.00 0.00 0.00 0.00 57.00 56.81 1pj1 n GLN 7 Cb 0.40 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.09 1pj1 n GLN 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1pj1 s THR 8 N -2.20 5.08 -0.12 -0.39 2.01 -1.26 -5.02 115.64 113.74 1pj1 s THR 8 Ca 0.34 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 1pj1 s THR 8 Cb 0.18 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1pj1 s THR 8 CO 0.34 0.21 1.40 -0.75 -0.69 0.00 0.00 174.62 175.12 1pj1 s LYS 9 N 1.29 4.22 0.15 4.92 2.20 -1.26 -4.99 119.74 126.27 1pj1 s LYS 9 Ca 0.30 1.85 0.04 0.00 -0.36 0.00 0.00 55.97 57.80 1pj1 s LYS 9 Cb -0.16 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1pj1 s LYS 9 CO 0.12 -0.74 -0.09 0.54 -0.36 0.00 0.00 175.35 174.81 1pj1 s ASN 10 N 2.42 1.75 -0.65 1.43 6.03 -1.26 -5.09 114.94 119.56 1pj1 s ASN 10 Ca 0.61 -1.03 -0.23 0.00 -1.03 0.00 0.00 52.86 51.19 1pj1 s ASN 10 Cb -0.26 -0.00 0.07 0.00 -3.03 0.00 0.00 41.25 38.02 1pj1 s ASN 10 CO 0.20 -0.35 0.98 -0.62 -2.03 0.00 0.00 177.10 175.28 1pj1 s ASP 11 N -3.17 6.19 0.27 3.54 -1.08 -1.26 -4.88 116.67 116.28 1pj1 s ASP 11 Ca 0.17 -0.90 0.21 0.00 -0.52 0.00 0.00 52.55 51.51 1pj1 s ASP 11 Cb 0.03 -2.43 1.02 0.00 -1.46 0.00 0.00 42.92 40.08 1pj1 s ASP 11 CO 0.01 -1.44 1.63 0.00 0.52 0.00 0.00 175.17 175.89 1pj1 n GLN 12 N 7.77 0.15 0.17 4.34 6.02 -1.26 -1.32 117.38 133.25 1pj1 n GLN 12 Ca -0.03 0.55 0.12 0.00 -0.01 0.00 0.00 57.00 57.63 1pj1 n GLN 12 Cb 0.46 -1.89 0.27 0.00 1.02 0.00 0.00 30.24 30.10 1pj1 n GLN 12 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pj1 h LEU 13 N 0.00 0.00 -1.28 1.08 3.38 -1.95 -3.29 115.31 113.24 1pj1 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pj1 h LEU 13 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pj1 h LEU 13 CO 0.00 0.00 -0.23 0.29 0.09 0.00 0.00 178.44 178.59 1pj1 n LYS 14 N -2.73 1.60 -2.55 1.13 5.02 -0.43 -4.79 118.16 115.40 1pj1 n LYS 14 Ca 0.05 -1.22 -0.33 0.00 -2.02 0.00 0.00 58.31 54.80 1pj1 n LYS 14 Cb 0.49 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 1pj1 n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pj1 s GLU 15 N -1.93 4.04 0.86 1.97 0.41 -1.22 -5.06 118.70 117.77 1pj1 s GLU 15 Ca 0.19 1.03 -0.12 0.00 -0.41 0.00 0.00 54.97 55.66 1pj1 s GLU 15 Cb 0.16 -2.15 0.11 0.00 -1.78 0.00 0.00 34.13 30.47 1pj1 s GLU 15 CO 0.38 -0.19 1.14 -1.25 -0.49 0.00 0.00 175.26 174.84 1pj1 s PRO 16 N -3.71 1.55 0.18 0.39 0.04 -1.26 -4.91 135.00 127.27 1pj1 s PRO 16 Ca 0.60 0.30 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 1pj1 s PRO 16 Cb -0.10 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1pj1 s PRO 16 CO 0.24 -1.92 1.78 0.52 0.04 0.00 0.00 177.00 177.66 1pj1 h MET 17 N -1.30 0.87 -5.67 4.56 2.86 -1.93 -3.39 114.93 110.95 1pj1 h MET 17 Ca -0.49 -0.12 -0.47 0.00 -2.06 0.00 0.00 59.70 56.57 1pj1 h MET 17 Cb 1.32 -0.16 -0.16 0.00 0.06 0.00 0.00 31.60 32.66 1pj1 h MET 17 CO 0.63 0.68 -0.75 -0.06 1.06 0.00 0.00 176.91 178.47 1pj1 s PHE 18 N -5.78 1.71 0.00 -0.22 0.08 -1.26 -0.68 117.98 111.84 1pj1 s PHE 18 Ca -0.13 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1pj1 s PHE 18 Cb 0.13 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.76 1pj1 s PHE 18 CO 0.78 0.33 0.00 1.19 -0.10 0.00 0.00 175.22 177.42 1pj1 n PHE 19 N -0.07 0.00 -0.73 0.36 3.72 0.95 -4.84 117.46 116.85 1pj1 n PHE 19 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1pj1 n PHE 19 Cb 0.59 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 1pj1 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pj1 n GLY 20 N -1.18 0.53 3.74 1.37 0.00 -1.26 -5.00 105.19 103.39 1pj1 n GLY 20 Ca 0.00 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1pj1 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pj1 s GLN 21 N 1.30 4.41 0.47 1.61 0.74 -1.26 -4.82 119.66 122.11 1pj1 s GLN 21 Ca 0.00 2.04 -0.23 0.00 0.05 0.00 0.00 55.36 57.22 1pj1 s GLN 21 Cb 0.00 -3.18 -0.09 0.00 1.10 0.00 0.00 33.01 30.84 1pj1 s GLN 21 CO 0.00 -0.19 1.12 -2.30 -0.55 0.00 0.00 175.29 173.36 1pj1 n PRO 22 N 2.23 1.49 -2.01 1.67 -0.02 -1.26 -4.45 135.00 132.64 1pj1 n PRO 22 Ca 0.04 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1pj1 n PRO 22 Cb 0.43 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1pj1 n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj1 s VAL 23 N -1.30 2.92 0.00 -1.45 1.01 -1.25 -4.43 120.40 115.90 1pj1 s VAL 23 Ca 0.66 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1pj1 s VAL 23 Cb -0.50 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1pj1 s VAL 23 CO 0.55 0.04 0.00 -0.46 0.00 0.00 0.00 175.10 175.23 1pj1 n ASN 24 N 4.25 0.00 -4.72 3.32 0.23 -1.26 -4.47 115.26 112.61 1pj1 n ASN 24 Ca 0.13 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.77 1pj1 n ASN 24 Cb 0.40 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.06 1pj1 n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pj1 s VAL 25 N 0.00 4.48 -0.58 3.53 1.01 -1.26 -4.93 120.40 122.65 1pj1 s VAL 25 Ca 0.00 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.70 1pj1 s VAL 25 Cb 0.00 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1pj1 s VAL 25 CO 0.00 0.22 0.73 0.00 0.00 0.00 0.00 175.10 176.05 1pj1 s ALA 26 N 0.50 3.36 0.11 5.51 0.00 -1.26 -4.83 121.76 125.15 1pj1 s ALA 26 Ca 0.51 -2.07 0.09 0.00 0.00 0.00 0.00 51.96 50.49 1pj1 s ALA 26 Cb -0.24 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1pj1 s ALA 26 CO 0.30 -2.34 -0.22 -0.98 0.00 0.00 0.00 175.76 172.52 1pj1 s ARG 27 N 2.88 1.18 -0.08 0.00 1.70 -1.26 -5.06 118.95 118.31 1pj1 s ARG 27 Ca 0.14 -1.20 0.15 0.00 -0.47 0.00 0.00 55.73 54.35 1pj1 s ARG 27 Cb -0.22 -1.48 0.32 0.00 -0.57 0.00 0.00 34.95 33.00 1pj1 s ARG 27 CO 0.08 0.34 1.15 0.66 -1.08 0.00 0.00 175.30 176.45 1pj1 n TYR 28 N 1.02 0.00 0.99 5.89 4.01 -1.26 -4.69 117.16 123.12 1pj1 n TYR 28 Ca -0.19 -0.76 0.11 0.00 -0.16 0.00 0.00 57.90 56.91 1pj1 n TYR 28 Cb 0.54 -0.16 0.13 0.00 -0.31 0.00 0.00 39.34 39.54 1pj1 n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pj1 n ASP 29 N -0.35 0.66 -3.61 7.72 5.75 -1.26 -4.93 116.55 120.52 1pj1 n ASP 29 Ca 0.10 -0.48 -0.14 0.00 -0.01 0.00 0.00 54.79 54.26 1pj1 n ASP 29 Cb 0.85 0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 41.37 1pj1 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pj1 s GLN 30 N -3.00 0.97 0.02 0.11 -2.07 -1.26 -5.18 119.66 109.24 1pj1 s GLN 30 Ca 0.10 -0.20 -0.10 0.00 -1.82 0.00 0.00 55.36 53.35 1pj1 s GLN 30 Cb 0.17 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.54 1pj1 s GLN 30 CO 0.75 -0.33 0.20 -0.65 -1.32 0.00 0.00 175.29 173.94 1pj1 s GLN 31 N -2.15 0.62 0.05 9.60 1.11 -1.26 -4.90 119.66 122.73 1pj1 s GLN 31 Ca -0.07 -0.47 -0.15 0.00 0.01 0.00 0.00 55.36 54.68 1pj1 s GLN 31 Cb -0.01 0.26 -0.29 0.00 -1.01 0.00 0.00 33.01 31.96 1pj1 s GLN 31 CO 0.00 -0.17 1.10 -0.22 0.01 0.00 0.00 175.29 176.01 1pj1 h LYS 32 N 3.79 0.63 -4.15 2.91 3.64 -1.86 -3.40 116.57 118.12 1pj1 h LYS 32 Ca -0.31 -0.84 -0.63 0.00 -1.27 0.00 0.00 60.65 57.61 1pj1 h LYS 32 Cb 1.19 0.28 -0.40 0.00 -0.41 0.00 0.00 32.23 32.89 1pj1 h LYS 32 CO 0.44 1.38 -0.73 0.71 -2.27 0.00 0.00 179.45 178.98 1pj1 s TYR 33 N -2.98 2.85 0.61 1.91 2.02 -1.26 -4.99 117.35 115.50 1pj1 s TYR 33 Ca -0.10 -2.46 0.39 0.00 -0.37 0.00 0.00 57.07 54.53 1pj1 s TYR 33 Cb 0.05 -2.39 2.14 0.00 -0.40 0.00 0.00 41.96 41.37 1pj1 s TYR 33 CO 0.93 -0.91 2.31 0.38 -1.57 0.00 0.00 175.55 176.69 1pj1 h ASP 34 N 7.78 0.00 -0.93 2.29 2.03 -1.99 -2.74 116.42 122.86 1pj1 h ASP 34 Ca -0.08 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 56.36 1pj1 h ASP 34 Cb 1.01 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.42 1pj1 h ASP 34 CO 0.50 0.01 0.55 -0.29 -1.03 0.00 0.00 179.24 178.97 1pj1 h ILE 35 N 0.00 0.81 -0.25 4.15 6.09 -1.98 -0.88 117.51 125.45 1pj1 h ILE 35 Ca -0.00 -0.27 -0.08 0.00 -1.37 0.00 0.00 64.86 63.13 1pj1 h ILE 35 Cb 0.04 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.26 1pj1 h ILE 35 CO 0.00 0.15 -0.20 -0.26 -3.07 0.00 0.00 178.15 174.77 1pj1 h PHE 36 N 0.80 0.49 -0.31 2.19 0.04 -1.84 -0.56 116.94 117.76 1pj1 h PHE 36 Ca 0.49 -0.09 -0.17 0.00 2.80 0.00 0.00 57.97 61.01 1pj1 h PHE 36 Cb 0.62 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 1pj1 h PHE 36 CO -0.04 0.62 -0.46 1.49 -0.60 0.00 0.00 178.31 179.32 1pj1 h GLU 37 N 0.40 0.82 -0.62 1.51 4.57 -1.39 -1.77 114.58 118.10 1pj1 h GLU 37 Ca 0.07 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 57.72 1pj1 h GLU 37 Cb 0.58 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1pj1 h GLU 37 CO 0.04 1.10 0.16 0.87 -1.18 0.00 0.00 179.01 180.01 1pj1 h LYS 38 N 0.65 0.97 -0.38 1.92 1.57 -0.78 -1.55 116.57 118.96 1pj1 h LYS 38 Ca 0.04 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1pj1 h LYS 38 Cb 1.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1pj1 h LYS 38 CO 0.10 0.85 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.45 1pj1 h LEU 39 N 0.93 0.89 -0.13 2.94 3.38 -0.98 -1.33 115.31 121.01 1pj1 h LEU 39 Ca 0.20 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pj1 h LEU 39 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1pj1 h LEU 39 CO -0.00 1.13 0.07 0.40 0.09 0.00 0.00 178.44 180.13 1pj1 h ILE 40 N 0.72 1.07 -0.28 1.22 2.04 -0.98 -0.37 117.51 120.93 1pj1 h ILE 40 Ca 0.08 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1pj1 h ILE 40 Cb 0.87 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1pj1 h ILE 40 CO 0.08 0.07 0.13 -0.33 0.00 0.00 0.00 178.15 178.09 1pj1 h GLU 41 N 0.13 0.27 -0.56 2.37 5.08 -1.19 -0.69 114.58 119.98 1pj1 h GLU 41 Ca 0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1pj1 h GLU 41 Cb 0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1pj1 h GLU 41 CO -0.01 0.18 0.29 0.87 -1.00 0.00 0.00 179.01 179.34 1pj1 h LYS 42 N 0.27 0.80 -0.68 2.33 1.79 -1.08 -1.57 116.57 118.43 1pj1 h LYS 42 Ca 0.12 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1pj1 h LYS 42 Cb 0.05 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1pj1 h LYS 42 CO -0.09 0.63 0.22 0.37 -1.08 0.00 0.00 179.45 179.50 1pj1 h GLN 43 N 0.76 1.06 -0.38 3.15 5.75 -0.81 -1.93 115.11 122.70 1pj1 h GLN 43 Ca 0.20 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1pj1 h GLN 43 Cb 0.08 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1pj1 h GLN 43 CO -0.03 0.91 0.01 -0.07 -2.65 0.00 0.00 178.83 177.00 1pj1 h LEU 44 N 0.99 0.57 -1.18 -2.39 3.38 -0.88 -1.77 115.31 114.04 1pj1 h LEU 44 Ca 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pj1 h LEU 44 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pj1 h LEU 44 CO -0.01 0.63 0.00 0.77 0.09 0.00 0.00 178.44 179.92 1pj1 h SER 45 N 0.58 0.00 -0.30 -0.43 4.64 -0.61 -2.98 113.55 114.44 1pj1 h SER 45 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pj1 h SER 45 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1pj1 h SER 45 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1pj1 n PHE 46 N -2.89 0.39 -1.65 4.77 3.72 -0.67 -4.98 117.46 116.16 1pj1 n PHE 46 Ca 0.01 -0.20 -0.43 0.00 -0.05 0.00 0.00 57.45 56.78 1pj1 n PHE 46 Cb 0.31 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1pj1 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1pj1 n PHE 47 N 1.03 1.78 -3.78 1.38 7.35 -1.13 -4.99 117.46 119.10 1pj1 n PHE 47 Ca 0.18 0.62 -0.10 0.00 -0.76 0.00 0.00 57.45 57.39 1pj1 n PHE 47 Cb 0.49 -2.33 -0.07 0.00 0.35 0.00 0.00 39.48 37.93 1pj1 n PHE 47 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1pj1 s PHE 48 N -1.09 -0.01 -0.35 -5.13 -0.12 -1.26 -5.13 117.98 104.89 1pj1 s PHE 48 Ca 0.57 -0.31 -0.06 0.00 -0.05 0.00 0.00 56.93 57.08 1pj1 s PHE 48 Cb -0.62 0.06 0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1pj1 s PHE 48 CO 0.61 -0.56 0.12 1.03 -0.05 0.00 0.00 175.22 176.37 1pj1 s ARG 49 N -3.43 2.56 0.14 1.99 0.52 -1.26 -5.00 118.95 114.47 1pj1 s ARG 49 Ca 0.01 -1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 53.71 1pj1 s ARG 49 Cb 0.02 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1pj1 s ARG 49 CO -0.09 -0.73 1.62 -1.35 0.02 0.00 0.00 175.30 174.77 1pj1 h PRO 50 N 8.21 -0.32 -0.40 3.54 0.11 -1.94 -2.05 132.00 139.16 1pj1 h PRO 50 Ca -0.22 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.02 1pj1 h PRO 50 Cb 1.08 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1pj1 h PRO 50 CO 0.62 -0.21 0.77 0.93 -0.21 0.00 0.00 178.00 179.90 1pj1 h GLU 51 N -0.33 0.00 0.00 1.05 3.07 -1.94 0.29 114.58 116.71 1pj1 h GLU 51 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1pj1 h GLU 51 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1pj1 h GLU 51 CO -0.38 0.00 -0.04 0.93 -1.40 0.00 0.00 179.01 178.12 1pj1 h GLU 52 N 0.00 0.00 -6.20 2.33 5.08 -1.80 -3.45 114.58 110.54 1pj1 h GLU 52 Ca 0.19 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.99 1pj1 h GLU 52 Cb 1.73 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 1pj1 h GLU 52 CO -0.00 0.00 0.29 0.08 -1.00 0.00 0.00 179.01 178.38 1pj1 s VAL 53 N -3.14 4.93 -0.26 3.13 1.01 0.10 -5.00 120.40 121.17 1pj1 s VAL 53 Ca 0.09 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 1pj1 s VAL 53 Cb 0.10 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1pj1 s VAL 53 CO 0.63 0.16 1.37 -0.62 0.00 0.00 0.00 175.10 176.63 1pj1 s ASP 54 N 0.96 6.65 -0.12 3.32 3.68 -1.26 -4.85 116.67 125.06 1pj1 s ASP 54 Ca 0.45 1.37 0.15 0.00 2.13 0.00 0.00 52.55 56.65 1pj1 s ASP 54 Cb -0.19 -2.54 0.27 0.00 -1.45 0.00 0.00 42.92 39.01 1pj1 s ASP 54 CO 0.21 -1.07 1.14 0.55 0.13 0.00 0.00 175.17 176.13 1pj1 n VAL 55 N 6.13 1.53 -0.07 1.11 3.14 -1.26 -4.38 118.33 124.52 1pj1 n VAL 55 Ca 0.15 -1.99 -0.04 0.00 -2.96 0.00 0.00 64.34 59.51 1pj1 n VAL 55 Cb 0.46 -0.05 0.18 0.00 -1.06 0.00 0.00 33.84 33.37 1pj1 n VAL 55 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1pj1 h SER 56 N 0.23 0.69 0.92 6.55 4.64 -1.88 -2.74 113.55 121.95 1pj1 h SER 56 Ca -0.01 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1pj1 h SER 56 Cb 1.11 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1pj1 h SER 56 CO 0.01 0.79 0.00 -1.14 -0.87 0.00 0.00 176.83 175.62 1pj1 n ARG 57 N -4.20 0.04 0.07 4.77 0.63 -1.26 -3.29 116.66 113.41 1pj1 n ARG 57 Ca 0.02 0.11 -0.02 0.00 -0.92 0.00 0.00 57.85 57.04 1pj1 n ARG 57 Cb 0.32 -1.56 0.22 0.00 0.45 0.00 0.00 32.46 31.89 1pj1 n ARG 57 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1pj1 h ASP 58 N 0.00 0.34 -0.41 6.15 5.19 -1.80 -2.72 116.42 123.16 1pj1 h ASP 58 Ca 0.00 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1pj1 h ASP 58 Cb 0.46 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1pj1 h ASP 58 CO 0.00 0.66 0.24 -0.09 -3.12 0.00 0.00 179.24 176.93 1pj1 h ARG 59 N 0.28 0.47 -0.35 3.56 2.43 -1.66 -0.08 114.38 119.03 1pj1 h ARG 59 Ca 0.03 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1pj1 h ARG 59 Cb 0.74 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1pj1 h ARG 59 CO 0.06 0.31 -0.33 0.97 -1.51 0.00 0.00 179.97 179.47 1pj1 h ILE 60 N 0.48 1.28 -0.51 1.20 6.09 -1.75 -2.16 117.51 122.15 1pj1 h ILE 60 Ca 0.16 -1.50 0.04 0.00 -1.37 0.00 0.00 64.86 62.20 1pj1 h ILE 60 Cb 0.01 1.45 -0.04 0.00 0.47 0.00 0.00 36.82 38.71 1pj1 h ILE 60 CO -0.08 0.49 0.26 0.44 -3.07 0.00 0.00 178.15 176.19 1pj1 h ASP 61 N 0.63 0.37 0.08 2.19 3.32 -1.21 -1.03 116.42 120.77 1pj1 h ASP 61 Ca 0.06 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pj1 h ASP 61 Cb 0.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1pj1 h ASP 61 CO 0.08 0.26 -0.04 0.22 -1.72 0.00 0.00 179.24 178.04 1pj1 h TYR 62 N 0.51 -0.10 -0.29 4.55 3.20 -0.92 -1.80 116.97 122.13 1pj1 h TYR 62 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1pj1 h TYR 62 Cb 0.13 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1pj1 h TYR 62 CO -0.10 -0.03 0.14 1.96 -1.64 0.00 0.00 178.16 178.48 1pj1 h GLN 63 N -0.13 0.39 0.00 1.82 1.08 -1.14 -1.43 115.11 115.70 1pj1 h GLN 63 Ca -0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1pj1 h GLN 63 Cb 0.11 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1pj1 h GLN 63 CO 0.02 0.30 0.00 0.00 -0.95 0.00 0.00 178.83 178.20 1pj1 h ALA 64 N 1.76 1.00 -2.85 3.87 0.00 -0.82 -3.46 119.26 118.77 1pj1 h ALA 64 Ca 0.10 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.48 1pj1 h ALA 64 Cb 0.04 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.93 1pj1 h ALA 64 CO -0.02 0.00 0.52 -0.51 0.00 0.00 0.00 179.25 179.25 1pj1 s LEU 65 N -5.55 3.85 0.63 0.00 1.43 -0.54 -4.98 118.68 113.52 1pj1 s LEU 65 Ca 0.06 2.48 -0.18 0.00 -1.03 0.00 0.00 54.13 55.46 1pj1 s LEU 65 Cb 0.08 -4.37 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1pj1 s LEU 65 CO 0.58 -1.35 1.22 -2.84 0.23 0.00 0.00 176.35 174.20 1pj1 s PRO 66 N -2.97 2.71 0.35 1.29 0.02 -1.26 -4.71 135.00 130.43 1pj1 s PRO 66 Ca 0.71 1.85 0.11 0.00 0.02 0.00 0.00 61.00 63.69 1pj1 s PRO 66 Cb -0.33 -1.89 0.90 0.00 0.02 0.00 0.00 34.50 33.19 1pj1 s PRO 66 CO 0.38 -1.42 1.79 0.93 -0.33 0.00 0.00 177.00 178.36 1pj1 h GLU 67 N 0.55 0.58 -0.01 5.54 4.39 -1.95 0.50 114.58 124.19 1pj1 h GLU 67 Ca -0.50 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.05 1pj1 h GLU 67 Cb 1.30 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1pj1 h GLU 67 CO 0.54 0.39 -0.53 1.12 -1.16 0.00 0.00 179.01 179.36 1pj1 h HIS 68 N 0.60 0.02 -0.01 4.33 2.07 -1.90 -2.28 115.15 118.00 1pj1 h HIS 68 Ca 0.56 -0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 57.88 1pj1 h HIS 68 Cb 1.10 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 1pj1 h HIS 68 CO -0.00 0.55 -0.85 0.93 -3.07 0.00 0.00 177.93 175.48 1pj1 h GLU 69 N 0.02 0.23 -0.59 5.12 5.08 -1.29 -2.26 114.58 120.90 1pj1 h GLU 69 Ca -0.00 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1pj1 h GLU 69 Cb 0.95 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1pj1 h GLU 69 CO 0.07 0.95 0.22 0.87 -1.00 0.00 0.00 179.01 180.12 1pj1 h LYS 70 N 0.14 0.89 -0.55 2.33 1.57 -1.07 -1.27 116.57 118.60 1pj1 h LYS 70 Ca -0.04 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1pj1 h LYS 70 Cb 1.47 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 1pj1 h LYS 70 CO 0.13 0.77 0.33 1.25 -0.57 0.00 0.00 179.45 181.37 1pj1 h HIS 71 N 0.81 0.62 0.02 -1.35 2.76 -1.30 0.05 115.15 116.76 1pj1 h HIS 71 Ca 0.19 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1pj1 h HIS 71 Cb 0.23 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1pj1 h HIS 71 CO 0.01 0.35 -0.01 0.82 -1.30 0.00 0.00 177.93 177.80 1pj1 h ILE 72 N 0.65 1.03 -0.01 6.26 2.04 -1.03 -0.95 117.51 125.50 1pj1 h ILE 72 Ca 0.22 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1pj1 h ILE 72 Cb 0.03 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1pj1 h ILE 72 CO -0.10 0.04 0.00 0.15 0.00 0.00 0.00 178.15 178.24 1pj1 h PHE 73 N -0.09 0.02 -0.61 1.37 3.57 -1.00 -2.36 116.94 117.83 1pj1 h PHE 73 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1pj1 h PHE 73 Cb 0.08 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1pj1 h PHE 73 CO -0.06 0.19 -0.00 0.97 -2.23 0.00 0.00 178.31 177.19 1pj1 h ILE 74 N -0.16 1.27 -0.56 1.41 6.09 -1.01 -1.06 117.51 123.47 1pj1 h ILE 74 Ca 0.00 -1.16 -0.02 0.00 -1.37 0.00 0.00 64.86 62.32 1pj1 h ILE 74 Cb 0.18 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.24 1pj1 h ILE 74 CO -0.00 0.42 0.29 0.28 -3.07 0.00 0.00 178.15 176.08 1pj1 h SER 75 N 0.98 0.72 -0.48 2.19 0.02 -1.18 -0.44 113.55 115.36 1pj1 h SER 75 Ca 0.17 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1pj1 h SER 75 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1pj1 h SER 75 CO 0.03 0.62 0.07 -1.13 -1.14 0.00 0.00 176.83 175.28 1pj1 h ASN 76 N 0.76 0.78 -0.67 3.07 -1.24 -1.28 -2.17 115.58 114.83 1pj1 h ASN 76 Ca 0.20 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1pj1 h ASN 76 Cb 0.08 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 1pj1 h ASN 76 CO -0.03 0.85 0.39 0.25 -1.29 0.00 0.00 177.43 177.60 1pj1 h LEU 77 N 0.68 0.81 -0.65 0.34 5.85 -0.86 -0.98 115.31 120.49 1pj1 h LEU 77 Ca 0.15 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1pj1 h LEU 77 Cb 0.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1pj1 h LEU 77 CO 0.01 0.65 0.35 0.11 -0.34 0.00 0.00 178.44 179.22 1pj1 h LYS 78 N 0.91 0.91 -0.51 1.25 1.57 -0.92 -0.76 116.57 119.03 1pj1 h LYS 78 Ca 0.24 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1pj1 h LYS 78 Cb -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1pj1 h LYS 78 CO -0.04 0.69 0.20 -0.92 -0.57 0.00 0.00 179.45 178.81 1pj1 h TYR 79 N 0.89 0.78 -0.75 -1.35 3.20 -0.94 -0.76 116.97 118.04 1pj1 h TYR 79 Ca 0.23 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1pj1 h TYR 79 Cb 0.05 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1pj1 h TYR 79 CO -0.01 0.65 0.35 1.96 -1.64 0.00 0.00 178.16 179.47 1pj1 h GLN 80 N 0.68 1.08 -0.55 1.82 4.20 -0.87 -1.60 115.11 119.87 1pj1 h GLN 80 Ca 0.17 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1pj1 h GLN 80 Cb 0.21 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1pj1 h GLN 80 CO -0.01 0.85 0.17 1.15 -0.67 0.00 0.00 178.83 180.31 1pj1 h THR 81 N 1.05 1.22 0.17 -0.54 2.02 -0.80 -1.24 112.91 114.80 1pj1 h THR 81 Ca 0.26 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1pj1 h THR 81 Cb 0.13 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1pj1 h THR 81 CO -0.03 0.29 -0.08 0.25 0.37 0.00 0.00 175.52 176.31 1pj1 h LEU 82 N 0.80 -0.20 -0.85 2.58 7.12 -0.67 -1.55 115.31 122.55 1pj1 h LEU 82 Ca 0.18 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 58.08 1pj1 h LEU 82 Cb 0.24 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.37 1pj1 h LEU 82 CO -0.01 0.04 0.55 -0.07 -0.13 0.00 0.00 178.44 178.81 1pj1 h LEU 83 N -0.43 0.90 -1.05 2.25 3.38 -1.04 -1.87 115.31 117.45 1pj1 h LEU 83 Ca -0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1pj1 h LEU 83 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pj1 h LEU 83 CO 0.04 0.62 -0.29 -0.33 0.09 0.00 0.00 178.44 178.56 1pj1 h GLU 84 N 1.06 0.31 -0.29 1.13 4.39 -1.18 0.15 114.58 120.15 1pj1 h GLU 84 Ca 0.34 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1pj1 h GLU 84 Cb 0.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1pj1 h GLU 84 CO -0.12 0.58 0.14 0.77 -1.16 0.00 0.00 179.01 179.22 1pj1 h SER 85 N 0.28 0.39 -0.30 1.42 0.02 -0.50 -0.69 113.55 114.17 1pj1 h SER 85 Ca 0.04 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1pj1 h SER 85 Cb 0.66 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1pj1 h SER 85 CO 0.05 0.41 -0.06 0.40 -1.14 0.00 0.00 176.83 176.49 1pj1 h ILE 86 N 0.34 1.28 0.00 3.27 2.04 -1.16 -3.17 117.51 120.11 1pj1 h ILE 86 Ca 0.10 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1pj1 h ILE 86 Cb 0.13 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1pj1 h ILE 86 CO -0.01 0.34 0.00 1.56 0.00 0.00 0.00 178.15 180.04 1pj1 h GLN 87 N 0.33 0.00 -0.01 2.37 1.08 -0.82 -0.29 115.11 117.78 1pj1 h GLN 87 Ca 0.08 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.10 1pj1 h GLN 87 Cb 0.53 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1pj1 h GLN 87 CO 0.03 0.00 -0.81 0.78 -0.95 0.00 0.00 178.83 177.87 1pj1 h GLY 88 N 2.23 0.16 0.00 3.46 0.00 -1.09 -3.39 103.07 104.44 1pj1 h GLY 88 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 47.33 46.81 1pj1 h GLY 88 CO 0.00 0.24 -1.96 -0.96 0.00 0.00 0.00 176.54 173.86 1pj1 n ARG 89 N -3.67 0.69 -0.11 4.80 1.85 -1.12 -4.67 116.66 114.43 1pj1 n ARG 89 Ca -0.03 0.08 -0.07 0.00 -1.00 0.00 0.00 57.85 56.83 1pj1 n ARG 89 Cb 0.77 -1.34 0.01 0.00 -1.05 0.00 0.00 32.46 30.84 1pj1 n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1pj1 h SER 90 N 0.00 0.32 -0.98 2.89 0.02 -1.24 -2.09 113.55 112.48 1pj1 h SER 90 Ca -0.38 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1pj1 h SER 90 Cb 1.63 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 64.03 1pj1 h SER 90 CO -0.04 0.24 0.61 -0.65 -1.14 0.00 0.00 176.83 175.84 1pj1 h PRO 91 N 0.42 0.93 0.40 3.45 0.11 -1.80 0.47 132.00 135.99 1pj1 h PRO 91 Ca 0.15 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1pj1 h PRO 91 Cb 0.03 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.93 1pj1 h PRO 91 CO -0.08 0.62 -0.19 -0.91 -0.21 0.00 0.00 178.00 177.22 1pj1 h ASN 92 N 0.96 -0.46 -0.70 -2.05 2.35 -1.77 0.47 115.58 114.39 1pj1 h ASN 92 Ca 0.48 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 56.09 1pj1 h ASN 92 Cb 0.47 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1pj1 h ASN 92 CO -0.26 -0.09 0.35 0.58 -1.65 0.00 0.00 177.43 176.35 1pj1 h VAL 93 N -0.88 1.23 0.16 2.81 2.07 -1.18 -2.07 116.25 118.39 1pj1 h VAL 93 Ca -0.06 -0.64 -0.34 0.00 0.82 0.00 0.00 66.70 66.49 1pj1 h VAL 93 Cb 0.55 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1pj1 h VAL 93 CO 0.09 0.27 -1.67 0.00 0.02 0.00 0.00 177.57 176.28 1pj1 h ALA 94 N 1.36 0.19 0.01 1.67 0.00 -0.97 -3.42 119.26 118.11 1pj1 h ALA 94 Ca 0.25 -1.12 -0.36 0.00 0.00 0.00 0.00 54.91 53.68 1pj1 h ALA 94 Cb 0.10 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1pj1 h ALA 94 CO -0.03 1.06 -2.22 1.28 0.00 0.00 0.00 179.25 179.34 1pj1 n LEU 95 N -3.54 1.15 -0.33 0.00 4.77 0.16 -4.49 117.00 114.72 1pj1 n LEU 95 Ca -0.21 0.08 0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1pj1 n LEU 95 Cb 1.07 -0.07 0.28 0.00 -2.33 0.00 0.00 43.42 42.36 1pj1 n LEU 95 CO 0.51 0.61 1.16 -0.07 -1.33 0.00 0.00 177.39 178.27 1pj1 h LEU 96 N 0.01 0.68 0.00 2.23 4.07 -1.42 -0.19 115.31 120.69 1pj1 h LEU 96 Ca -0.48 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1pj1 h LEU 96 Cb 2.10 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.81 1pj1 h LEU 96 CO 0.02 0.26 0.00 -2.65 -1.08 0.00 0.00 178.44 174.99 1pj1 n PRO 97 N -4.80 0.24 -0.00 1.13 -0.02 -1.26 -3.47 135.00 126.81 1pj1 n PRO 97 Ca 0.21 0.12 0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1pj1 n PRO 97 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1pj1 n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pj1 n LEU 98 N -1.30 0.11 -4.75 2.45 4.77 -0.13 -4.97 117.00 113.19 1pj1 n LEU 98 Ca 0.08 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 1pj1 n LEU 98 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1pj1 n LEU 98 CO 0.14 0.03 0.73 -0.63 -1.33 0.00 0.00 177.39 176.33 1pj1 s ILE 99 N -1.26 3.90 -0.02 -0.08 1.01 -0.93 -0.03 121.20 123.80 1pj1 s ILE 99 Ca 0.01 1.79 0.03 0.00 0.00 0.00 0.00 60.65 62.48 1pj1 s ILE 99 Cb 0.02 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.40 1pj1 s ILE 99 CO 0.10 0.38 0.93 -1.54 0.00 0.00 0.00 174.94 174.81 1pj1 n SER 100 N 1.81 1.59 -4.04 3.58 3.41 0.14 -3.90 113.62 116.22 1pj1 n SER 100 Ca 0.00 -1.99 -0.23 0.00 -0.26 0.00 0.00 58.87 56.39 1pj1 n SER 100 Cb 0.46 -0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.18 1pj1 n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pj1 s ILE 101 N -1.07 1.00 0.26 -1.33 -4.36 -1.26 -4.62 121.20 109.82 1pj1 s ILE 101 Ca 0.05 -0.47 -0.03 0.00 -0.26 0.00 0.00 60.65 59.95 1pj1 s ILE 101 Cb 0.05 -0.89 0.24 0.00 1.25 0.00 0.00 42.46 43.11 1pj1 s ILE 101 CO 0.00 0.31 1.84 1.55 0.24 0.00 0.00 174.94 178.88 1pj1 h PRO 102 N 6.46 0.93 -0.63 0.37 0.13 -1.89 -2.60 132.00 134.79 1pj1 h PRO 102 Ca -0.33 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1pj1 h PRO 102 Cb 1.17 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1pj1 h PRO 102 CO 0.48 0.62 0.23 1.05 -0.23 0.00 0.00 178.00 180.14 1pj1 h GLU 103 N 0.96 0.93 -0.19 0.86 9.09 -1.91 -1.57 114.58 122.75 1pj1 h GLU 103 Ca 0.43 -0.16 -0.19 0.00 0.05 0.00 0.00 59.36 59.48 1pj1 h GLU 103 Cb 0.32 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1pj1 h GLU 103 CO -0.22 0.78 -0.66 1.25 0.05 0.00 0.00 179.01 180.21 1pj1 h LEU 104 N 0.91 0.83 -0.02 3.06 5.85 -1.88 -1.19 115.31 122.88 1pj1 h LEU 104 Ca 0.21 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1pj1 h LEU 104 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1pj1 h LEU 104 CO -0.01 1.27 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.23 1pj1 h GLU 105 N 0.53 -0.07 -0.14 1.25 4.81 -1.07 -0.67 114.58 119.21 1pj1 h GLU 105 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1pj1 h GLU 105 Cb 1.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1pj1 h GLU 105 CO 0.13 -0.05 -0.42 1.15 -0.73 0.00 0.00 179.01 179.09 1pj1 h THR 106 N -0.07 1.31 -0.44 0.32 2.02 -1.32 -2.52 112.91 112.21 1pj1 h THR 106 Ca 0.03 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1pj1 h THR 106 Cb 0.11 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1pj1 h THR 106 CO -0.06 0.48 0.22 -0.25 0.37 0.00 0.00 175.52 176.27 1pj1 h TRP 107 N 0.27 0.63 -0.75 3.16 -0.00 -0.83 -0.07 115.95 118.37 1pj1 h TRP 107 Ca 0.02 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1pj1 h TRP 107 Cb 0.86 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.78 1pj1 h TRP 107 CO 0.02 0.50 0.48 0.28 -0.00 0.00 0.00 178.44 179.72 1pj1 h VAL 108 N 0.57 1.12 -0.31 2.65 2.07 -0.90 0.31 116.25 121.75 1pj1 h VAL 108 Ca 0.15 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1pj1 h VAL 108 Cb 0.10 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1pj1 h VAL 108 CO -0.02 0.17 -0.29 -0.33 0.02 0.00 0.00 177.57 177.12 1pj1 h GLU 109 N 0.94 0.65 -0.39 1.57 5.08 -1.12 -0.30 114.58 121.01 1pj1 h GLU 109 Ca 0.30 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1pj1 h GLU 109 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pj1 h GLU 109 CO -0.11 0.86 -0.36 1.15 -1.00 0.00 0.00 179.01 179.56 1pj1 h THR 110 N 0.56 1.27 -0.01 1.13 2.02 -0.35 0.22 112.91 117.75 1pj1 h THR 110 Ca 0.07 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.72 1pj1 h THR 110 Cb 0.78 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1pj1 h THR 110 CO 0.06 0.51 0.00 -0.25 0.37 0.00 0.00 175.52 176.22 1pj1 h TRP 111 N 0.74 0.01 -0.76 3.16 7.01 -0.29 -1.37 115.95 124.45 1pj1 h TRP 111 Ca 0.06 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1pj1 h TRP 111 Cb 0.95 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.97 1pj1 h TRP 111 CO 0.06 0.21 0.50 0.00 -2.79 0.00 0.00 178.44 176.43 1pj1 h ALA 112 N 0.79 0.97 -0.54 2.65 0.00 -0.98 -2.11 119.26 120.04 1pj1 h ALA 112 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pj1 h ALA 112 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1pj1 h ALA 112 CO -0.00 0.36 0.35 0.35 0.00 0.00 0.00 179.25 180.31 1pj1 h PHE 113 N 1.01 0.69 -0.21 0.00 3.57 -0.79 -1.79 116.94 119.41 1pj1 h PHE 113 Ca 0.28 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1pj1 h PHE 113 Cb -0.09 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1pj1 h PHE 113 CO -0.02 0.44 0.03 0.66 -2.23 0.00 0.00 178.31 177.18 1pj1 h SER 114 N 0.73 0.26 -0.11 0.41 4.64 -0.74 -1.20 113.55 117.54 1pj1 h SER 114 Ca 0.20 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1pj1 h SER 114 Cb -0.08 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1pj1 h SER 114 CO -0.04 0.29 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.68 1pj1 h GLU 115 N 0.29 0.53 0.00 4.77 4.39 -0.70 -1.89 114.58 121.97 1pj1 h GLU 115 Ca 0.07 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 1pj1 h GLU 115 Cb 0.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1pj1 h GLU 115 CO -0.00 0.71 -0.39 1.79 -1.16 0.00 0.00 179.01 179.95 1pj1 h THR 116 N 0.47 1.27 -0.36 1.13 1.35 -0.68 -1.08 112.91 115.02 1pj1 h THR 116 Ca 0.08 -1.35 -0.13 0.00 -0.55 0.00 0.00 66.41 64.45 1pj1 h THR 116 Cb 0.62 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1pj1 h THR 116 CO 0.04 0.38 -0.30 0.40 -0.25 0.00 0.00 175.52 175.80 1pj1 h ILE 117 N 0.00 1.28 -0.77 6.82 1.08 -0.91 -1.29 117.51 123.72 1pj1 h ILE 117 Ca -0.00 -1.45 -0.04 0.00 -0.39 0.00 0.00 64.86 62.98 1pj1 h ILE 117 Cb 0.70 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 1pj1 h ILE 117 CO 0.05 0.48 0.33 0.45 -0.69 0.00 0.00 178.15 178.77 1pj1 h HIS 118 N 0.66 1.15 -0.57 1.37 3.86 -0.60 0.16 115.15 121.19 1pj1 h HIS 118 Ca 0.08 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1pj1 h HIS 118 Cb 0.83 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1pj1 h HIS 118 CO 0.04 0.87 0.26 0.77 0.86 0.00 0.00 177.93 180.73 1pj1 h SER 119 N 1.11 0.75 -0.02 2.45 0.02 -0.90 -0.82 113.55 116.14 1pj1 h SER 119 Ca 0.26 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1pj1 h SER 119 Cb 0.18 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1pj1 h SER 119 CO -0.03 0.68 -0.10 0.03 -1.14 0.00 0.00 176.83 176.28 1pj1 h ARG 120 N 0.77 0.27 -0.30 3.45 3.08 -0.67 -1.94 114.38 119.05 1pj1 h ARG 120 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1pj1 h ARG 120 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1pj1 h ARG 120 CO -0.02 0.39 0.14 0.77 -1.07 0.00 0.00 179.97 180.18 1pj1 h SER 121 N 0.26 0.40 0.01 7.04 0.02 0.48 -1.89 113.55 119.86 1pj1 h SER 121 Ca 0.05 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1pj1 h SER 121 Cb 0.35 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1pj1 h SER 121 CO 0.02 0.41 -0.17 1.88 -1.14 0.00 0.00 176.83 177.83 1pj1 h TYR 122 N 0.35 0.33 -0.55 3.45 0.05 -0.62 -1.54 116.97 118.43 1pj1 h TYR 122 Ca 0.10 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1pj1 h TYR 122 Cb 0.13 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1pj1 h TYR 122 CO -0.02 0.47 0.19 1.15 -1.05 0.00 0.00 178.16 178.91 1pj1 h THR 123 N 0.29 1.23 -0.44 -2.88 2.02 -1.08 0.17 112.91 112.21 1pj1 h THR 123 Ca 0.05 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.52 1pj1 h THR 123 Cb 0.48 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1pj1 h THR 123 CO 0.03 0.28 0.22 -0.74 0.37 0.00 0.00 175.52 175.68 1pj1 h HIS 124 N 0.76 0.40 0.01 3.16 -0.00 -0.65 -0.19 115.15 118.65 1pj1 h HIS 124 Ca 0.18 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1pj1 h HIS 124 Cb 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1pj1 h HIS 124 CO 0.01 0.20 -0.00 0.82 -0.00 0.00 0.00 177.93 178.96 1pj1 h ILE 125 N 0.44 1.21 -0.26 6.26 2.04 -1.03 -2.79 117.51 123.37 1pj1 h ILE 125 Ca 0.19 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1pj1 h ILE 125 Cb 0.10 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1pj1 h ILE 125 CO -0.14 0.17 0.03 0.40 0.00 0.00 0.00 178.15 178.61 1pj1 h ILE 126 N -0.29 0.85 0.00 -0.67 2.04 -0.76 -1.43 117.51 117.25 1pj1 h ILE 126 Ca -0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1pj1 h ILE 126 Cb 0.28 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1pj1 h ILE 126 CO 0.00 0.02 -0.02 0.03 0.00 0.00 0.00 178.15 178.18 1pj1 h ARG 127 N 0.13 0.00 -0.01 2.37 3.08 -1.05 -2.12 114.38 116.78 1pj1 h ARG 127 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1pj1 h ARG 127 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1pj1 h ARG 127 CO -0.18 0.02 -0.24 0.09 -1.07 0.00 0.00 179.97 178.59 1pj1 n ASN 128 N -3.73 1.24 0.00 7.04 4.13 -0.58 -4.40 115.26 118.96 1pj1 n ASN 128 Ca -0.03 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1pj1 n ASN 128 Cb 0.11 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1pj1 n ASN 128 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1pj1 n ILE 129 N -0.43 0.00 -4.42 2.41 -5.35 -0.84 -3.89 119.36 106.85 1pj1 n ILE 129 Ca 0.13 -0.05 -0.24 0.00 -0.27 0.00 0.00 62.75 62.32 1pj1 n ILE 129 Cb 0.37 0.54 -0.11 0.00 -1.74 0.00 0.00 39.64 38.70 1pj1 n ILE 129 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1pj1 s VAL 130 N -1.86 2.22 0.03 7.28 -7.23 -0.96 -4.79 120.40 115.09 1pj1 s VAL 130 Ca 0.00 -2.20 -0.18 0.00 -1.81 0.00 0.00 61.98 57.79 1pj1 s VAL 130 Cb 0.00 -2.14 -0.23 0.00 0.56 0.00 0.00 36.38 34.57 1pj1 s VAL 130 CO 0.00 -0.34 1.13 0.78 -0.31 0.00 0.00 175.10 176.36 1pj1 h ASN 131 N 2.72 0.68 -3.93 4.85 -0.26 -1.89 -3.42 115.58 114.33 1pj1 h ASN 131 Ca -0.42 -0.75 -0.66 0.00 -0.56 0.00 0.00 56.30 53.91 1pj1 h ASN 131 Cb 1.23 -0.21 -0.40 0.00 -1.06 0.00 0.00 38.32 37.89 1pj1 h ASN 131 CO 0.56 1.34 -0.67 -0.62 -1.06 0.00 0.00 177.43 176.98 1pj1 s ASP 132 N -6.95 4.65 0.41 5.81 3.68 -1.26 -4.97 116.67 118.04 1pj1 s ASP 132 Ca -0.12 -2.47 0.15 0.00 2.13 0.00 0.00 52.55 52.24 1pj1 s ASP 132 Cb 0.05 -1.65 1.02 0.00 -1.45 0.00 0.00 42.92 40.89 1pj1 s ASP 132 CO 0.86 -0.34 1.89 -0.65 0.13 0.00 0.00 175.17 177.07 1pj1 h PRO 133 N 7.23 0.45 -0.94 4.34 0.11 -1.88 -1.91 132.00 139.40 1pj1 h PRO 133 Ca -0.06 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.24 1pj1 h PRO 133 Cb 0.98 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 1pj1 h PRO 133 CO 0.59 0.30 0.61 0.77 -0.21 0.00 0.00 178.00 180.06 1pj1 h SER 134 N 0.46 0.45 -0.41 -2.05 0.02 -1.99 0.22 113.55 110.24 1pj1 h SER 134 Ca 0.41 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.45 1pj1 h SER 134 Cb 0.91 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 1pj1 h SER 134 CO -0.15 0.17 0.20 0.58 -1.14 0.00 0.00 176.83 176.49 1pj1 h VAL 135 N 0.44 0.96 0.27 2.27 2.07 -1.78 -1.19 116.25 119.28 1pj1 h VAL 135 Ca 0.50 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 1pj1 h VAL 135 Cb 1.20 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1pj1 h VAL 135 CO -0.21 0.07 -0.13 0.58 0.02 0.00 0.00 177.57 177.91 1pj1 h VAL 136 N 0.41 0.76 -0.79 2.57 2.07 -1.13 -3.07 116.25 117.07 1pj1 h VAL 136 Ca 0.18 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1pj1 h VAL 136 Cb 0.09 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1pj1 h VAL 136 CO -0.13 0.13 0.48 -0.26 0.02 0.00 0.00 177.57 177.81 1pj1 h PHE 137 N -0.72 0.89 -0.45 1.57 0.04 -1.28 -2.56 116.94 114.43 1pj1 h PHE 137 Ca -0.04 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1pj1 h PHE 137 Cb 0.49 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1pj1 h PHE 137 CO 0.03 0.46 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.75 1pj1 h ASP 138 N 0.89 0.72 0.52 2.17 3.32 -1.30 -2.53 116.42 120.20 1pj1 h ASP 138 Ca 0.34 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1pj1 h ASP 138 Cb 0.14 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1pj1 h ASP 138 CO -0.16 0.80 0.00 -0.67 -1.72 0.00 0.00 179.24 177.49 1pj1 n ASP 139 N -4.22 0.29 -0.05 6.45 2.03 -0.97 -3.12 116.55 116.97 1pj1 n ASP 139 Ca 0.02 0.58 -0.15 0.00 0.52 0.00 0.00 54.79 55.76 1pj1 n ASP 139 Cb 0.30 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 1pj1 n ASP 139 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pj1 h ILE 140 N 0.00 1.36 -0.53 5.18 2.04 -1.37 -0.76 117.51 123.43 1pj1 h ILE 140 Ca 0.00 -1.66 -0.12 0.00 1.00 0.00 0.00 64.86 64.08 1pj1 h ILE 140 Cb 0.26 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1pj1 h ILE 140 CO 0.00 0.50 -0.14 0.58 0.00 0.00 0.00 178.15 179.09 1pj1 h VAL 141 N 0.13 1.27 0.00 1.67 2.07 -1.68 -3.33 116.25 116.37 1pj1 h VAL 141 Ca -0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1pj1 h VAL 141 Cb 1.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1pj1 h VAL 141 CO 0.08 0.46 -1.33 0.35 0.02 0.00 0.00 177.57 177.15 1pj1 n THR 142 N -4.13 0.05 -1.54 2.57 -2.24 -1.25 -4.88 114.28 102.87 1pj1 n THR 142 Ca 0.01 -0.24 -0.47 0.00 -2.27 0.00 0.00 64.05 61.08 1pj1 n THR 142 Cb 0.42 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 1pj1 n THR 142 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj1 n ASN 143 N -1.89 2.77 -0.27 3.42 2.85 -0.29 -4.83 115.26 117.02 1pj1 n ASN 143 Ca 0.01 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1pj1 n ASN 143 Cb 0.44 -1.40 0.13 0.00 1.24 0.00 0.00 39.78 40.19 1pj1 n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1pj1 h GLU 144 N 13.09 0.77 -0.02 1.20 5.08 -1.92 0.10 114.58 132.89 1pj1 h GLU 144 Ca -0.36 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 1pj1 h GLU 144 Cb 1.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1pj1 h GLU 144 CO 0.99 0.51 -0.35 1.96 -1.00 0.00 0.00 179.01 181.12 1pj1 h GLN 145 N 0.79 0.04 0.13 2.33 1.08 -1.99 -3.04 115.11 114.46 1pj1 h GLN 145 Ca 0.35 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 57.30 1pj1 h GLN 145 Cb 0.23 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1pj1 h GLN 145 CO -0.20 0.39 -1.11 0.82 -0.95 0.00 0.00 178.83 177.78 1pj1 h ILE 146 N 0.04 1.27 0.00 2.54 2.04 -1.79 -3.35 117.51 118.26 1pj1 h ILE 146 Ca 0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1pj1 h ILE 146 Cb 0.64 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1pj1 h ILE 146 CO 0.05 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1pj1 n GLN 147 N -4.03 0.13 -0.54 2.37 1.13 -0.03 -2.96 117.38 113.45 1pj1 n GLN 147 Ca -0.19 0.52 -0.02 0.00 -1.94 0.00 0.00 57.00 55.36 1pj1 n GLN 147 Cb 0.86 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1pj1 n GLN 147 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1pj1 n LYS 148 N -2.09 1.09 0.00 -1.09 2.85 -1.15 -2.73 118.16 115.04 1pj1 n LYS 148 Ca 0.00 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1pj1 n LYS 148 Cb 0.11 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 1pj1 n LYS 148 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pj1 n ARG 149 N 1.40 0.00 -0.25 -1.58 3.00 -1.15 -4.89 116.66 113.18 1pj1 n ARG 149 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.94 1pj1 n ARG 149 Cb 0.51 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.29 1pj1 n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pj1 h ALA 150 N 0.00 1.67 0.54 7.54 0.00 -1.63 -1.38 119.26 126.01 1pj1 h ALA 150 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pj1 h ALA 150 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pj1 h ALA 150 CO 0.00 0.17 -0.35 1.49 0.00 0.00 0.00 179.25 180.56 1pj1 h GLU 151 N 0.83 -0.83 -0.70 0.00 4.22 -1.85 0.53 114.58 116.78 1pj1 h GLU 151 Ca 0.38 0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.94 1pj1 h GLU 151 Cb 0.37 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1pj1 h GLU 151 CO -0.15 -0.55 0.40 0.78 -2.18 0.00 0.00 179.01 177.31 1pj1 h GLY 152 N -0.86 1.04 0.75 1.92 0.00 -1.68 0.10 103.07 104.35 1pj1 h GLY 152 Ca -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1pj1 h GLY 152 CO 0.05 0.16 -0.11 -2.22 0.00 0.00 0.00 176.54 174.42 1pj1 h ILE 153 N 0.72 0.85 -0.08 2.60 2.04 -1.07 -2.99 117.51 119.58 1pj1 h ILE 153 Ca 0.32 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1pj1 h ILE 153 Cb 0.21 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1pj1 h ILE 153 CO -0.19 0.11 0.02 0.77 0.00 0.00 0.00 178.15 178.86 1pj1 h SER 154 N -0.56 0.09 -0.00 1.72 4.64 0.31 -2.88 113.55 116.88 1pj1 h SER 154 Ca -0.03 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1pj1 h SER 154 Cb 0.41 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1pj1 h SER 154 CO 0.05 0.10 0.00 0.28 -0.87 0.00 0.00 176.83 176.39 1pj1 h SER 155 N 0.11 0.00 -0.82 4.97 0.02 -0.66 0.59 113.55 117.76 1pj1 h SER 155 Ca 0.03 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1pj1 h SER 155 Cb 0.04 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1pj1 h SER 155 CO -0.00 0.07 0.52 1.88 -1.14 0.00 0.00 176.83 178.15 1pj1 h TYR 156 N -0.06 0.97 0.08 3.45 0.05 -1.39 -0.36 116.97 119.70 1pj1 h TYR 156 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1pj1 h TYR 156 Cb 0.06 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.49 1pj1 h TYR 156 CO -0.06 0.53 -0.04 1.88 -1.05 0.00 0.00 178.16 179.42 1pj1 h TYR 157 N 0.99 -0.10 -0.96 4.88 0.05 -1.46 -2.47 116.97 117.90 1pj1 h TYR 157 Ca 0.34 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.15 1pj1 h TYR 157 Cb 0.07 0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 1pj1 h TYR 157 CO -0.03 0.20 0.63 -0.44 -1.05 0.00 0.00 178.16 177.47 1pj1 h ASP 158 N -0.41 1.05 -0.44 3.88 3.32 -0.60 -0.17 116.42 123.05 1pj1 h ASP 158 Ca -0.01 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1pj1 h ASP 158 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pj1 h ASP 158 CO 0.02 0.73 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.83 1pj1 h GLU 159 N 1.23 0.86 -0.52 3.56 5.08 -1.09 -1.23 114.58 122.46 1pj1 h GLU 159 Ca 0.38 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pj1 h GLU 159 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1pj1 h GLU 159 CO -0.11 0.96 0.22 1.25 -1.00 0.00 0.00 179.01 180.33 1pj1 h LEU 160 N 0.69 0.72 -0.40 1.33 5.85 -0.98 -1.47 115.31 121.04 1pj1 h LEU 160 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1pj1 h LEU 160 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1pj1 h LEU 160 CO 0.04 0.68 0.20 0.40 -0.34 0.00 0.00 178.44 179.42 1pj1 h ILE 161 N 0.71 1.17 -0.29 4.05 2.04 -0.91 0.03 117.51 124.30 1pj1 h ILE 161 Ca 0.18 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1pj1 h ILE 161 Cb 0.18 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1pj1 h ILE 161 CO -0.02 0.18 0.13 -0.08 0.00 0.00 0.00 178.15 178.36 1pj1 h GLU 162 N 0.50 0.43 -0.14 2.37 4.81 -1.07 -1.54 114.58 119.94 1pj1 h GLU 162 Ca 0.14 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1pj1 h GLU 162 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1pj1 h GLU 162 CO -0.02 0.43 -0.21 1.98 -0.73 0.00 0.00 179.01 180.46 1pj1 h MET 163 N 0.33 0.24 -0.59 1.92 4.05 -1.16 -2.09 114.93 117.63 1pj1 h MET 163 Ca 0.10 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1pj1 h MET 163 Cb 0.16 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1pj1 h MET 163 CO -0.01 0.45 0.06 1.15 0.23 0.00 0.00 176.91 178.78 1pj1 h THR 164 N 0.22 1.26 -0.36 -0.77 2.02 -0.59 -1.40 112.91 113.29 1pj1 h THR 164 Ca 0.04 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1pj1 h THR 164 Cb 0.50 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1pj1 h THR 164 CO 0.03 0.38 0.13 0.28 0.37 0.00 0.00 175.52 176.72 1pj1 h SER 165 N 0.90 0.51 -0.80 4.18 0.02 -0.80 -0.50 113.55 117.07 1pj1 h SER 165 Ca 0.17 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1pj1 h SER 165 Cb 0.48 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1pj1 h SER 165 CO 0.02 0.56 0.52 1.88 -1.14 0.00 0.00 176.83 178.67 1pj1 h TYR 166 N 0.43 0.99 0.00 3.45 0.05 -1.26 0.15 116.97 120.79 1pj1 h TYR 166 Ca 0.12 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1pj1 h TYR 166 Cb 0.22 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1pj1 h TYR 166 CO 0.00 0.61 -0.00 2.35 -1.05 0.00 0.00 178.16 180.07 1pj1 h TRP 167 N 1.05 -0.00 -0.19 4.88 7.01 -0.91 0.22 115.95 128.02 1pj1 h TRP 167 Ca 0.30 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.24 1pj1 h TRP 167 Cb -0.09 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1pj1 h TRP 167 CO -0.02 0.10 -0.14 0.45 -2.79 0.00 0.00 178.44 176.05 1pj1 h HIS 168 N -0.11 0.32 0.06 2.65 3.86 -0.85 0.26 115.15 121.33 1pj1 h HIS 168 Ca -0.00 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 1pj1 h HIS 168 Cb 0.11 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1pj1 h HIS 168 CO -0.04 0.44 -0.49 -0.07 0.86 0.00 0.00 177.93 178.63 1pj1 h LEU 169 N 0.28 0.19 0.00 2.43 3.38 -0.76 -3.13 115.31 117.71 1pj1 h LEU 169 Ca 0.06 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 1pj1 h LEU 169 Cb 0.42 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1pj1 h LEU 169 CO 0.03 1.22 -1.66 0.18 0.09 0.00 0.00 178.44 178.30 1pj1 n LEU 170 N -4.37 0.00 0.00 1.67 4.77 0.76 -4.93 117.00 114.89 1pj1 n LEU 170 Ca -0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1pj1 n LEU 170 Cb 0.65 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1pj1 n LEU 170 CO 0.39 0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 1pj1 n GLY 171 N 1.70 -2.08 3.78 -0.72 0.00 0.91 -4.86 105.19 103.92 1pj1 n GLY 171 Ca -0.03 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 1pj1 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pj1 s GLU 172 N -1.01 3.72 0.00 1.61 2.02 -1.26 -4.72 118.70 119.06 1pj1 s GLU 172 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.65 1pj1 s GLU 172 Cb 0.00 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1pj1 s GLU 172 CO 0.00 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.13 1pj1 n GLY 173 N 0.30 0.99 3.36 -1.39 0.00 -0.54 -4.97 105.19 102.94 1pj1 n GLY 173 Ca 0.08 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 1pj1 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pj1 s THR 174 N -1.42 4.04 0.47 2.61 2.01 -1.26 -0.80 115.64 121.28 1pj1 s THR 174 Ca 0.00 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1pj1 s THR 174 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1pj1 s THR 174 CO 0.00 0.11 0.05 -1.00 -0.69 0.00 0.00 174.62 173.10 1pj1 s HIS 175 N 1.52 2.14 -0.03 4.92 3.76 0.48 -4.95 115.29 123.13 1pj1 s HIS 175 Ca 0.03 -0.81 0.04 0.00 -0.15 0.00 0.00 55.06 54.16 1pj1 s HIS 175 Cb -0.17 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.79 1pj1 s HIS 175 CO 0.03 0.25 -0.13 0.95 -0.85 0.00 0.00 174.74 174.98 1pj1 s THR 176 N -2.79 1.12 -0.13 1.30 -4.23 -1.26 0.64 115.64 110.30 1pj1 s THR 176 Ca 0.21 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1pj1 s THR 176 Cb 0.04 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.96 1pj1 s THR 176 CO 0.11 0.33 0.04 -0.69 -0.54 0.00 0.00 174.62 173.87 1pj1 s VAL 177 N 0.07 0.27 -1.45 2.29 1.01 0.14 -4.89 120.40 117.84 1pj1 s VAL 177 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1pj1 s VAL 177 Cb -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1pj1 s VAL 177 CO 0.01 -0.01 0.36 0.59 0.00 0.00 0.00 175.10 176.05 1pj1 n ASN 178 N 5.16 -0.23 0.00 3.32 3.02 -1.26 -1.16 115.26 124.11 1pj1 n ASN 178 Ca -0.07 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1pj1 n ASN 178 Cb 0.49 -2.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1pj1 n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj1 n GLY 179 N -2.06 1.54 3.51 7.41 0.00 -1.26 -5.03 105.19 109.30 1pj1 n GLY 179 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1pj1 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj1 s LYS 180 N -0.24 2.44 0.05 1.61 1.02 -0.31 -5.10 119.74 119.21 1pj1 s LYS 180 Ca 0.00 -0.75 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 1pj1 s LYS 180 Cb 0.00 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1pj1 s LYS 180 CO 0.00 0.60 0.87 0.95 -0.92 0.00 0.00 175.35 176.86 1pj1 s THR 181 N -0.86 4.70 -0.18 2.17 -4.23 -1.26 0.26 115.64 116.25 1pj1 s THR 181 Ca 0.14 1.86 0.01 0.00 -1.18 0.00 0.00 61.69 62.51 1pj1 s THR 181 Cb -0.11 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.54 1pj1 s THR 181 CO 0.04 0.30 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.60 1pj1 s VAL 182 N 0.24 1.69 -0.18 2.29 1.01 0.21 -4.91 120.40 120.74 1pj1 s VAL 182 Ca 0.44 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1pj1 s VAL 182 Cb -0.21 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1pj1 s VAL 182 CO 0.26 0.30 0.28 -0.89 0.00 0.00 0.00 175.10 175.04 1pj1 s THR 183 N 1.40 5.31 -0.22 3.92 2.01 -1.26 -0.39 115.64 126.41 1pj1 s THR 183 Ca 0.01 0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 1pj1 s THR 183 Cb -0.15 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1pj1 s THR 183 CO -0.09 0.36 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.40 1pj1 s VAL 184 N 0.69 2.68 -0.10 3.82 1.01 0.02 -5.01 120.40 123.51 1pj1 s VAL 184 Ca 0.15 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1pj1 s VAL 184 Cb -0.13 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1pj1 s VAL 184 CO 0.04 0.36 -0.16 -0.55 0.00 0.00 0.00 175.10 174.78 1pj1 s SER 185 N 1.34 2.46 0.37 3.32 0.15 -1.26 -1.46 113.70 118.61 1pj1 s SER 185 Ca 0.03 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1pj1 s SER 185 Cb -0.15 -1.11 0.72 0.00 -1.71 0.00 0.00 66.02 63.77 1pj1 s SER 185 CO -0.07 0.04 1.90 0.25 1.20 0.00 0.00 173.24 176.55 1pj1 h LEU 186 N 7.27 0.30 -0.46 3.45 5.85 -1.98 -1.81 115.31 127.93 1pj1 h LEU 186 Ca -0.30 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1pj1 h LEU 186 Cb 1.18 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1pj1 h LEU 186 CO 0.49 0.44 0.23 -0.09 -0.34 0.00 0.00 178.44 179.17 1pj1 h ARG 187 N 0.31 0.66 -0.26 1.25 2.43 -1.99 -0.19 114.38 116.58 1pj1 h ARG 187 Ca 0.06 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1pj1 h ARG 187 Cb 0.37 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1pj1 h ARG 187 CO 0.02 0.55 -0.28 0.93 -1.51 0.00 0.00 179.97 179.68 1pj1 h GLU 188 N 0.60 0.52 -0.39 0.20 4.39 -1.88 -1.88 114.58 116.14 1pj1 h GLU 188 Ca 0.16 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1pj1 h GLU 188 Cb 0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1pj1 h GLU 188 CO -0.02 0.76 0.05 1.25 -1.16 0.00 0.00 179.01 179.88 1pj1 h LEU 189 N 0.46 0.63 -1.13 1.33 6.46 -1.00 0.20 115.31 122.26 1pj1 h LEU 189 Ca 0.06 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1pj1 h LEU 189 Cb 0.72 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1pj1 h LEU 189 CO 0.06 0.74 0.39 0.11 -0.62 0.00 0.00 178.44 179.12 1pj1 h LYS 190 N 0.50 0.99 -0.33 1.25 1.57 -0.84 -0.62 116.57 119.08 1pj1 h LYS 190 Ca 0.12 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1pj1 h LYS 190 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1pj1 h LYS 190 CO 0.01 0.73 0.02 -0.22 -0.57 0.00 0.00 179.45 179.42 1pj1 h LYS 191 N 1.00 0.57 -1.00 3.15 3.64 -0.87 -1.25 116.57 121.81 1pj1 h LYS 191 Ca 0.25 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1pj1 h LYS 191 Cb 0.03 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 1pj1 h LYS 191 CO -0.04 0.68 0.65 0.87 -2.27 0.00 0.00 179.45 179.34 1pj1 h LYS 192 N 0.39 1.14 -0.15 1.90 1.79 -0.34 -0.07 116.57 121.23 1pj1 h LYS 192 Ca 0.10 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1pj1 h LYS 192 Cb 0.41 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1pj1 h LYS 192 CO 0.01 0.76 0.02 1.25 -1.08 0.00 0.00 179.45 180.41 1pj1 h LEU 193 N 1.18 0.23 -0.51 2.94 5.85 -0.86 -0.94 115.31 123.20 1pj1 h LEU 193 Ca 0.43 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1pj1 h LEU 193 Cb 0.16 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1pj1 h LEU 193 CO -0.17 0.44 0.29 0.22 -0.34 0.00 0.00 178.44 178.88 1pj1 h TYR 194 N 0.02 0.54 -0.65 1.25 3.20 -0.50 0.18 116.97 121.01 1pj1 h TYR 194 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1pj1 h TYR 194 Cb 0.30 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1pj1 h TYR 194 CO 0.02 0.30 0.32 -0.07 -1.64 0.00 0.00 178.16 177.08 1pj1 h LEU 195 N 0.57 0.84 -0.49 2.82 3.38 -0.98 0.22 115.31 121.68 1pj1 h LEU 195 Ca 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1pj1 h LEU 195 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1pj1 h LEU 195 CO -0.11 0.73 0.13 0.00 0.09 0.00 0.00 178.44 179.28 1pj1 h LEU 197 N 0.67 0.89 -0.75 0.00 3.38 -0.36 -0.04 115.31 119.08 1pj1 h LEU 197 Ca 0.16 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1pj1 h LEU 197 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1pj1 h LEU 197 CO -0.00 0.91 -0.00 -0.03 0.09 0.00 0.00 178.44 179.41 1pj1 h MET 198 N 0.87 0.95 -0.44 1.13 4.05 -0.70 0.10 114.93 120.89 1pj1 h MET 198 Ca 0.17 -0.28 -0.06 0.00 -0.28 0.00 0.00 59.70 59.25 1pj1 h MET 198 Cb 0.43 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1pj1 h MET 198 CO 0.01 0.94 0.05 1.03 0.23 0.00 0.00 176.91 179.17 1pj1 h SER 199 N 0.87 0.73 0.06 1.39 0.87 -0.68 -1.42 113.55 115.36 1pj1 h SER 199 Ca 0.16 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.33 1pj1 h SER 199 Cb 0.52 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1pj1 h SER 199 CO 0.03 0.82 -0.36 0.58 -0.53 0.00 0.00 176.83 177.37 1pj1 h VAL 200 N 0.60 1.29 -0.69 2.23 2.07 -0.76 -1.23 116.25 119.77 1pj1 h VAL 200 Ca 0.13 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1pj1 h VAL 200 Cb 0.42 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1pj1 h VAL 200 CO 0.01 0.45 0.29 -1.13 0.02 0.00 0.00 177.57 177.21 1pj1 h ASN 201 N 0.35 0.94 -0.15 0.57 -1.24 -0.47 0.06 115.58 115.65 1pj1 h ASN 201 Ca 0.04 -0.16 -0.11 0.00 0.71 0.00 0.00 56.30 56.78 1pj1 h ASN 201 Cb 0.79 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1pj1 h ASN 201 CO 0.06 0.84 -0.27 0.00 -1.29 0.00 0.00 177.43 176.78 1pj1 h ALA 202 N 1.13 0.97 0.02 1.57 0.00 -0.91 0.13 119.26 122.17 1pj1 h ALA 202 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pj1 h ALA 202 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pj1 h ALA 202 CO -0.02 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.07 1pj1 h LEU 203 N 0.53 -0.02 -0.48 0.00 6.46 -0.68 0.28 115.31 121.39 1pj1 h LEU 203 Ca 0.07 -0.09 -0.14 0.00 -0.12 0.00 0.00 57.88 57.60 1pj1 h LEU 203 Cb 0.74 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1pj1 h LEU 203 CO 0.06 0.07 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.39 1pj1 h GLU 204 N -0.12 1.00 0.00 1.25 4.39 -0.86 -2.12 114.58 118.12 1pj1 h GLU 204 Ca -0.00 -0.44 -0.24 0.00 0.34 0.00 0.00 59.36 59.02 1pj1 h GLU 204 Cb 0.11 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1pj1 h GLU 204 CO 0.00 1.12 -1.26 0.00 -1.16 0.00 0.00 179.01 177.71 1pj1 h ALA 205 N 0.86 0.50 0.00 3.43 0.00 -0.68 -3.41 119.26 119.97 1pj1 h ALA 205 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1pj1 h ALA 205 Cb 0.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pj1 h ALA 205 CO 0.07 1.37 -0.77 -0.89 0.00 0.00 0.00 179.25 179.03 1pj1 n ILE 206 N -3.24 0.24 -0.17 0.00 5.41 0.96 -4.54 119.36 118.02 1pj1 n ILE 206 Ca -0.06 0.08 -0.03 0.00 1.00 0.00 0.00 62.75 63.74 1pj1 n ILE 206 Cb 0.98 -1.48 0.07 0.00 -0.71 0.00 0.00 39.64 38.49 1pj1 n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1pj1 h ARG 207 N 0.00 0.43 -0.08 0.38 3.08 -1.28 -0.22 114.38 116.68 1pj1 h ARG 207 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1pj1 h ARG 207 Cb 0.77 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1pj1 h ARG 207 CO 0.00 0.28 -0.01 0.74 -1.07 0.00 0.00 179.97 179.92 1pj1 h PHE 208 N 0.44 0.16 -0.30 3.04 0.04 -1.60 -3.13 116.94 115.58 1pj1 h PHE 208 Ca 0.24 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 1pj1 h PHE 208 Cb 0.22 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1pj1 h PHE 208 CO -0.13 0.43 0.13 1.88 -0.60 0.00 0.00 178.31 180.02 1pj1 h TYR 209 N -0.16 0.40 -0.65 -0.55 -1.99 -1.71 -1.69 116.97 110.62 1pj1 h TYR 209 Ca 0.02 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 1pj1 h TYR 209 Cb 0.37 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 1pj1 h TYR 209 CO 0.04 0.31 0.13 0.28 -0.00 0.00 0.00 178.16 178.92 1pj1 h VAL 210 N 0.41 1.26 -0.02 -2.88 2.07 -1.06 -2.51 116.25 113.52 1pj1 h VAL 210 Ca 0.11 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 1pj1 h VAL 210 Cb 0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1pj1 h VAL 210 CO -0.01 0.37 -0.39 0.77 0.02 0.00 0.00 177.57 178.33 1pj1 h SER 211 N 0.97 0.05 -0.34 0.57 4.64 -1.30 -2.90 113.55 115.25 1pj1 h SER 211 Ca 0.20 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1pj1 h SER 211 Cb 0.40 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1pj1 h SER 211 CO 0.01 0.44 -0.10 -0.26 -0.87 0.00 0.00 176.83 176.04 1pj1 h PHE 212 N 0.04 0.84 -0.81 4.77 0.04 -0.91 -2.06 116.94 118.86 1pj1 h PHE 212 Ca 0.00 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 1pj1 h PHE 212 Cb 0.71 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 1pj1 h PHE 212 CO 0.00 0.83 0.36 0.00 -0.60 0.00 0.00 178.31 178.91 1pj1 h ALA 213 N 1.19 1.11 -0.48 2.45 0.00 -1.29 0.10 119.26 122.33 1pj1 h ALA 213 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pj1 h ALA 213 Cb 0.58 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pj1 h ALA 213 CO 0.04 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.22 1pj1 h SER 215 N 0.63 0.83 1.05 0.00 0.02 -0.82 -3.18 113.55 112.09 1pj1 h SER 215 Ca 0.17 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1pj1 h SER 215 Cb 0.01 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1pj1 h SER 215 CO -0.03 1.17 0.00 -0.26 -1.14 0.00 0.00 176.83 176.57 1pj1 h PHE 216 N 0.51 0.00 -0.43 3.45 0.04 -0.76 -2.82 116.94 116.94 1pj1 h PHE 216 Ca 0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1pj1 h PHE 216 Cb 0.99 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1pj1 h PHE 216 CO 0.08 0.00 -0.11 0.00 -0.60 0.00 0.00 178.31 177.67 1pj1 h ALA 217 N 2.32 1.00 -0.29 2.45 0.00 -1.35 -0.23 119.26 123.16 1pj1 h ALA 217 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1pj1 h ALA 217 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pj1 h ALA 217 CO 0.00 0.60 -0.06 0.74 0.00 0.00 0.00 179.25 180.53 1pj1 h PHE 218 N 0.69 0.62 -0.41 0.00 0.04 -1.62 -2.85 116.94 113.43 1pj1 h PHE 218 Ca 0.12 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.80 1pj1 h PHE 218 Cb 0.59 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1pj1 h PHE 218 CO 0.03 0.74 0.27 0.00 -0.60 0.00 0.00 178.31 178.76 1pj1 h ALA 219 N 0.79 1.91 -0.36 2.45 0.00 -1.27 0.31 119.26 123.10 1pj1 h ALA 219 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1pj1 h ALA 219 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pj1 h ALA 219 CO 0.03 0.03 -0.14 0.93 0.00 0.00 0.00 179.25 180.09 1pj1 h GLU 220 N 0.37 0.64 -0.83 0.00 4.39 -0.82 -1.02 114.58 117.31 1pj1 h GLU 220 Ca 0.17 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1pj1 h GLU 220 Cb 0.22 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1pj1 h GLU 220 CO -0.04 0.75 0.02 0.54 -1.16 0.00 0.00 179.01 179.13 1pj1 n ARG 221 N -4.17 2.62 -3.96 2.33 1.74 -0.25 -4.88 116.66 110.11 1pj1 n ARG 221 Ca 0.01 -1.37 -0.31 0.00 -0.77 0.00 0.00 57.85 55.41 1pj1 n ARG 221 Cb 0.36 -1.81 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1pj1 n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pj1 n GLU 222 N 0.24 -5.23 -4.33 5.56 1.02 -0.39 -4.99 120.64 112.52 1pj1 n GLU 222 Ca 0.13 0.57 -0.24 0.00 -0.02 0.00 0.00 57.16 57.60 1pj1 n GLU 222 Cb 0.69 -5.44 -0.12 0.00 -0.02 0.00 0.00 31.44 26.55 1pj1 n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pj1 s LEU 223 N -7.28 2.36 -1.29 -4.62 1.43 -0.07 -4.77 118.68 104.45 1pj1 s LEU 223 Ca 0.67 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1pj1 s LEU 223 Cb -0.34 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 1pj1 s LEU 223 CO 0.84 0.04 0.62 0.23 0.23 0.00 0.00 176.35 178.32 1pj1 n MET 224 N 0.71 -3.18 0.14 1.70 2.81 -1.26 -2.80 117.12 115.23 1pj1 n MET 224 Ca -0.16 0.50 0.01 0.00 -1.81 0.00 0.00 57.70 56.23 1pj1 n MET 224 Cb 0.55 -4.65 0.15 0.00 -0.71 0.00 0.00 33.22 28.56 1pj1 n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1pj1 h GLU 225 N -1.84 0.00 -0.14 0.03 5.08 -1.92 -2.18 114.58 113.60 1pj1 h GLU 225 Ca -0.63 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.69 1pj1 h GLU 225 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1pj1 h GLU 225 CO 0.56 0.59 -0.07 0.78 -1.00 0.00 0.00 179.01 179.87 1pj1 h GLY 226 N 2.41 0.32 0.57 -3.84 0.00 -1.90 -1.78 103.07 98.84 1pj1 h GLY 226 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1pj1 h GLY 226 CO 0.08 0.26 0.17 -0.57 0.00 0.00 0.00 176.54 176.48 1pj1 h ASN 227 N -0.04 0.18 -0.55 0.19 -1.24 -1.87 -2.31 115.58 109.93 1pj1 h ASN 227 Ca 0.03 0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.16 1pj1 h ASN 227 Cb 0.53 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.57 1pj1 h ASN 227 CO 0.02 0.14 0.26 0.00 -1.29 0.00 0.00 177.43 176.56 1pj1 h ALA 228 N 1.31 0.71 -0.69 1.57 0.00 -1.20 -0.07 119.26 120.89 1pj1 h ALA 228 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pj1 h ALA 228 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pj1 h ALA 228 CO -0.23 -0.10 0.44 0.87 0.00 0.00 0.00 179.25 180.23 1pj1 h LYS 229 N 0.49 0.93 -0.56 0.00 1.57 -0.81 -1.05 116.57 117.14 1pj1 h LYS 229 Ca 0.25 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1pj1 h LYS 229 Cb 0.21 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1pj1 h LYS 229 CO -0.20 0.64 0.05 0.82 -0.57 0.00 0.00 179.45 180.19 1pj1 h ILE 230 N 0.94 1.26 -0.33 1.86 2.04 -0.90 -2.84 117.51 119.55 1pj1 h ILE 230 Ca 0.25 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1pj1 h ILE 230 Cb -0.07 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1pj1 h ILE 230 CO -0.05 0.37 0.04 0.40 0.00 0.00 0.00 178.15 178.92 1pj1 h ILE 231 N 0.84 1.18 -0.83 -0.67 1.08 -0.51 -1.43 117.51 117.17 1pj1 h ILE 231 Ca 0.17 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1pj1 h ILE 231 Cb 0.47 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1pj1 h ILE 231 CO 0.02 0.23 0.38 0.03 -0.69 0.00 0.00 178.15 178.12 1pj1 h ARG 232 N 0.49 1.20 -0.43 2.37 3.08 -0.97 0.28 114.38 120.39 1pj1 h ARG 232 Ca 0.11 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1pj1 h ARG 232 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1pj1 h ARG 232 CO 0.00 0.93 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.71 1pj1 h LEU 233 N 1.18 0.79 -0.32 3.04 3.38 -1.24 -1.84 115.31 120.30 1pj1 h LEU 233 Ca 0.28 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1pj1 h LEU 233 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1pj1 h LEU 233 CO -0.03 0.95 0.11 0.40 0.09 0.00 0.00 178.44 179.96 1pj1 h ILE 234 N 0.63 1.19 -0.49 1.22 2.04 -0.90 -2.72 117.51 118.49 1pj1 h ILE 234 Ca 0.11 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1pj1 h ILE 234 Cb 0.57 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1pj1 h ILE 234 CO 0.03 0.21 0.31 0.00 0.00 0.00 0.00 178.15 178.70 1pj1 h ALA 235 N 0.95 1.62 -0.60 1.87 0.00 -0.35 -0.36 119.26 122.39 1pj1 h ALA 235 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pj1 h ALA 235 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pj1 h ALA 235 CO -0.01 0.34 0.29 -0.09 0.00 0.00 0.00 179.25 179.78 1pj1 h ARG 236 N 0.67 0.85 -0.09 0.00 2.43 -1.04 -2.25 114.38 114.96 1pj1 h ARG 236 Ca 0.18 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1pj1 h ARG 236 Cb -0.05 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1pj1 h ARG 236 CO -0.04 0.66 -0.48 -0.44 -1.51 0.00 0.00 179.97 178.17 1pj1 h ASP 237 N 0.85 0.58 -0.37 -3.80 3.32 -0.84 -3.24 116.42 112.91 1pj1 h ASP 237 Ca 0.21 -0.65 0.03 0.00 0.02 0.00 0.00 57.03 56.64 1pj1 h ASP 237 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1pj1 h ASP 237 CO -0.03 1.14 0.25 -0.33 -1.72 0.00 0.00 179.24 178.55 1pj1 h GLU 238 N 0.06 0.37 -0.90 3.56 4.39 -0.92 -0.30 114.58 120.85 1pj1 h GLU 238 Ca -0.03 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1pj1 h GLU 238 Cb 1.13 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1pj1 h GLU 238 CO 0.10 0.25 0.59 0.00 -1.16 0.00 0.00 179.01 178.79 1pj1 h ALA 239 N 1.79 1.40 -0.28 3.43 0.00 -1.44 0.98 119.26 125.13 1pj1 h ALA 239 Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1pj1 h ALA 239 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pj1 h ALA 239 CO -0.04 0.54 -0.22 -0.07 0.00 0.00 0.00 179.25 179.47 1pj1 h LEU 240 N 1.17 0.68 -0.83 0.00 3.38 -1.15 -2.23 115.31 116.33 1pj1 h LEU 240 Ca 0.34 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1pj1 h LEU 240 Cb -0.06 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1pj1 h LEU 240 CO -0.09 0.98 0.50 0.45 0.09 0.00 0.00 178.44 180.37 1pj1 h HIS 241 N 0.38 1.09 -0.49 1.13 3.86 -0.63 -1.47 115.15 119.02 1pj1 h HIS 241 Ca 0.05 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1pj1 h HIS 241 Cb 0.76 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1pj1 h HIS 241 CO 0.07 0.73 -0.01 1.25 0.86 0.00 0.00 177.93 180.83 1pj1 h LEU 242 N 1.14 0.79 -0.86 2.43 5.85 -0.78 -1.46 115.31 122.41 1pj1 h LEU 242 Ca 0.30 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1pj1 h LEU 242 Cb -0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1pj1 h LEU 242 CO -0.06 0.87 0.32 0.74 -0.34 0.00 0.00 178.44 179.97 1pj1 h THR 243 N 0.76 1.26 0.06 1.05 2.02 -0.83 -1.36 112.91 115.87 1pj1 h THR 243 Ca 0.14 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1pj1 h THR 243 Cb 0.48 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1pj1 h THR 243 CO 0.02 0.33 -0.03 1.23 0.37 0.00 0.00 175.52 177.44 1pj1 h GLY 244 N 1.15 -0.09 1.31 2.16 0.00 -0.72 -1.85 103.07 105.03 1pj1 h GLY 244 Ca 0.26 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1pj1 h GLY 244 CO -0.02 -0.03 0.17 -0.91 0.00 0.00 0.00 176.54 175.75 1pj1 h THR 245 N -0.30 1.22 -0.58 4.70 1.35 -1.18 -1.46 112.91 116.67 1pj1 h THR 245 Ca -0.01 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.04 1pj1 h THR 245 Cb 0.26 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 1pj1 h THR 245 CO 0.01 0.30 0.24 1.56 -0.25 0.00 0.00 175.52 177.38 1pj1 h GLN 246 N 0.84 0.86 -0.51 4.72 4.20 -1.18 -0.76 115.11 123.29 1pj1 h GLN 246 Ca 0.19 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1pj1 h GLN 246 Cb 0.25 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1pj1 h GLN 246 CO -0.01 0.73 0.03 0.45 -0.67 0.00 0.00 178.83 179.36 1pj1 h HIS 247 N 0.79 0.94 -0.05 2.96 3.86 -1.02 0.08 115.15 122.71 1pj1 h HIS 247 Ca 0.19 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1pj1 h HIS 247 Cb 0.18 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1pj1 h HIS 247 CO 0.01 0.87 -0.03 0.52 0.86 0.00 0.00 177.93 180.16 1pj1 h MET 248 N 0.74 -0.02 -0.33 2.45 2.86 -1.00 -0.12 114.93 119.51 1pj1 h MET 248 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1pj1 h MET 248 Cb 0.47 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1pj1 h MET 248 CO 0.02 -0.02 0.12 -0.07 1.06 0.00 0.00 176.91 178.02 1pj1 h LEU 249 N -0.02 0.47 -0.97 1.22 3.38 -1.04 -1.51 115.31 116.83 1pj1 h LEU 249 Ca 0.03 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1pj1 h LEU 249 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pj1 h LEU 249 CO -0.07 0.53 0.03 0.78 0.09 0.00 0.00 178.44 179.80 1pj1 h ASN 250 N 0.38 0.74 -0.03 -0.43 2.35 -0.83 -0.25 115.58 117.50 1pj1 h ASN 250 Ca 0.11 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1pj1 h ASN 250 Cb 0.22 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1pj1 h ASN 250 CO -0.01 0.79 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.16 1pj1 h LEU 251 N 0.73 0.52 -0.28 1.61 3.38 -0.89 -1.99 115.31 118.39 1pj1 h LEU 251 Ca 0.15 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 1pj1 h LEU 251 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pj1 h LEU 251 CO 0.01 0.82 -0.74 -0.07 0.09 0.00 0.00 178.44 178.55 1pj1 h LEU 252 N 0.43 0.74 -0.13 1.67 3.38 -0.76 -3.27 115.31 117.38 1pj1 h LEU 252 Ca 0.05 -0.48 -0.18 0.00 0.09 0.00 0.00 57.88 57.36 1pj1 h LEU 252 Cb 0.78 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1pj1 h LEU 252 CO 0.06 1.25 -0.84 0.08 0.09 0.00 0.00 178.44 179.09 1pj1 h ARG 253 N 0.43 0.00 0.00 1.13 0.11 -1.00 -2.86 114.38 112.19 1pj1 h ARG 253 Ca -0.04 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 1pj1 h ARG 253 Cb 1.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.42 1pj1 h ARG 253 CO 0.14 0.84 -0.25 0.66 0.10 0.00 0.00 179.97 181.46 1pj1 h SER 254 N 0.00 0.00 0.00 0.08 4.64 -1.45 -3.41 113.55 113.41 1pj1 h SER 254 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1pj1 h SER 254 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1pj1 h SER 254 CO 0.11 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1pj1 n GLY 255 N -0.35 0.73 0.14 -0.77 0.00 -1.24 -4.94 105.19 98.75 1pj1 n GLY 255 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1pj1 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj1 h ALA 256 N 0.00 0.77 0.07 4.61 0.00 -1.88 -3.29 119.26 119.54 1pj1 h ALA 256 Ca 0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 54.91 54.00 1pj1 h ALA 256 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pj1 h ALA 256 CO 0.00 0.73 -2.19 -3.47 0.00 0.00 0.00 179.25 174.32 1pj1 n ASP 257 N -3.47 2.04 -3.23 0.00 2.03 -1.23 -4.91 116.55 107.78 1pj1 n ASP 257 Ca 0.00 0.07 -0.02 0.00 0.52 0.00 0.00 54.79 55.36 1pj1 n ASP 257 Cb 0.68 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 1pj1 n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pj1 s ASP 258 N -6.81 -0.69 0.31 1.67 2.15 -1.25 -4.71 116.67 107.34 1pj1 s ASP 258 Ca -0.27 0.30 0.07 0.00 0.43 0.00 0.00 52.55 53.07 1pj1 s ASP 258 Cb 0.08 1.66 0.76 0.00 -0.30 0.00 0.00 42.92 45.12 1pj1 s ASP 258 CO 0.70 -0.30 1.79 -0.65 -0.17 0.00 0.00 175.17 176.54 1pj1 h PRO 259 N 8.08 0.73 -0.70 4.34 0.11 -1.91 -1.71 132.00 140.93 1pj1 h PRO 259 Ca -0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1pj1 h PRO 259 Cb 1.16 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1pj1 h PRO 259 CO 0.24 0.48 0.39 1.49 -0.21 0.00 0.00 178.00 180.39 1pj1 h GLU 260 N 0.75 0.97 -0.58 1.05 4.81 -1.95 -1.87 114.58 117.76 1pj1 h GLU 260 Ca 0.56 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1pj1 h GLU 260 Cb 0.89 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1pj1 h GLU 260 CO -0.35 0.72 0.22 0.52 -0.73 0.00 0.00 179.01 179.40 1pj1 h MET 261 N 0.96 0.87 -0.91 1.92 2.86 -1.60 0.54 114.93 119.58 1pj1 h MET 261 Ca 0.25 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1pj1 h MET 261 Cb 0.02 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1pj1 h MET 261 CO -0.04 0.75 0.60 0.00 1.06 0.00 0.00 176.91 179.28 1pj1 h ALA 262 N 1.07 1.39 -0.30 6.32 0.00 -1.20 0.52 119.26 127.06 1pj1 h ALA 262 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pj1 h ALA 262 Cb 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pj1 h ALA 262 CO -0.01 0.54 -0.02 1.49 0.00 0.00 0.00 179.25 181.25 1pj1 h GLU 263 N 1.18 0.54 -0.56 0.00 4.81 -0.79 -2.14 114.58 117.62 1pj1 h GLU 263 Ca 0.35 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1pj1 h GLU 263 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1pj1 h GLU 263 CO -0.09 0.70 0.13 0.82 -0.73 0.00 0.00 179.01 179.84 1pj1 h ILE 264 N 0.32 1.25 -0.64 2.32 2.04 0.07 -2.40 117.51 120.46 1pj1 h ILE 264 Ca 0.08 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1pj1 h ILE 264 Cb 0.46 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1pj1 h ILE 264 CO 0.02 0.33 0.21 0.00 0.00 0.00 0.00 178.15 178.71 1pj1 h ALA 265 N 1.02 0.84 -0.74 1.87 0.00 0.05 -1.17 119.26 121.13 1pj1 h ALA 265 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pj1 h ALA 265 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1pj1 h ALA 265 CO 0.00 0.50 0.37 1.49 0.00 0.00 0.00 179.25 181.62 1pj1 h GLU 266 N 0.92 1.06 -0.75 0.00 4.57 -1.29 -2.24 114.58 116.85 1pj1 h GLU 266 Ca 0.21 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1pj1 h GLU 266 Cb 0.28 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1pj1 h GLU 266 CO -0.01 0.82 0.25 1.49 -1.18 0.00 0.00 179.01 180.38 1pj1 h GLU 267 N 1.04 1.15 -0.90 1.92 4.81 -0.91 -2.92 114.58 118.76 1pj1 h GLU 267 Ca 0.26 -0.23 -0.40 0.00 -0.13 0.00 0.00 59.36 58.85 1pj1 h GLU 267 Cb 0.10 -0.17 -0.24 0.00 0.63 0.00 0.00 28.75 29.06 1pj1 h GLU 267 CO -0.03 0.96 0.51 0.00 -0.73 0.00 0.00 179.01 179.71 1pj1 h LYS 269 N 1.69 -0.05 -0.42 0.00 3.64 -1.21 -1.56 116.57 118.67 1pj1 h LYS 269 Ca 0.49 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 1pj1 h LYS 269 Cb 2.68 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 34.49 1pj1 h LYS 269 CO 0.97 -0.03 0.19 0.37 -2.27 0.00 0.00 179.45 178.68 1pj1 h GLN 270 N -0.05 0.58 -0.42 1.90 5.75 -1.85 -1.32 115.11 119.70 1pj1 h GLN 270 Ca 0.05 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1pj1 h GLN 270 Cb 0.12 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pj1 h GLN 270 CO -0.11 0.46 -0.06 1.49 -2.65 0.00 0.00 178.83 177.96 1pj1 h GLU 271 N 0.59 0.78 -0.39 1.69 4.81 -1.76 -1.26 114.58 119.04 1pj1 h GLU 271 Ca 0.15 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1pj1 h GLU 271 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1pj1 h GLU 271 CO -0.02 0.89 -0.17 0.00 -0.73 0.00 0.00 179.01 178.98 1pj1 h TYR 273 N 0.65 -0.01 -0.77 0.00 5.03 -1.06 -0.77 116.97 120.05 1pj1 h TYR 273 Ca 0.10 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1pj1 h TYR 273 Cb 0.65 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.90 1pj1 h TYR 273 CO 0.03 0.04 0.35 -0.44 -1.32 0.00 0.00 178.16 176.82 1pj1 h ASP 274 N -0.06 1.01 -0.74 -2.11 3.32 -1.01 -1.04 116.42 115.79 1pj1 h ASP 274 Ca -0.00 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1pj1 h ASP 274 Cb 0.05 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1pj1 h ASP 274 CO 0.00 0.86 0.49 0.25 -1.72 0.00 0.00 179.24 179.12 1pj1 h LEU 275 N 1.09 0.84 -0.23 1.55 6.46 -0.78 0.18 115.31 124.42 1pj1 h LEU 275 Ca 0.26 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1pj1 h LEU 275 Cb 0.14 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1pj1 h LEU 275 CO -0.03 0.60 -0.12 0.15 -0.62 0.00 0.00 178.44 178.42 1pj1 h PHE 276 N 0.99 0.57 -0.78 1.25 3.04 -0.54 -2.56 116.94 118.90 1pj1 h PHE 276 Ca 0.27 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1pj1 h PHE 276 Cb -0.10 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.24 1pj1 h PHE 276 CO -0.02 0.77 0.34 0.28 -2.02 0.00 0.00 178.31 177.66 1pj1 h VAL 277 N 0.21 1.25 -0.82 1.41 2.07 -0.95 -2.12 116.25 117.30 1pj1 h VAL 277 Ca 0.05 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1pj1 h VAL 277 Cb 0.62 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1pj1 h VAL 277 CO 0.04 0.31 0.50 -0.61 0.02 0.00 0.00 177.57 177.83 1pj1 h GLN 278 N 1.12 0.87 -0.56 1.57 5.75 -0.54 0.16 115.11 123.47 1pj1 h GLN 278 Ca 0.26 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1pj1 h GLN 278 Cb 0.17 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1pj1 h GLN 278 CO -0.03 0.57 0.12 0.00 -2.65 0.00 0.00 178.83 176.85 1pj1 h ALA 279 N 1.40 0.74 -0.86 3.38 0.00 -1.03 -0.72 119.26 122.18 1pj1 h ALA 279 Ca 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pj1 h ALA 279 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1pj1 h ALA 279 CO -0.18 0.46 0.46 0.00 0.00 0.00 0.00 179.25 179.98 1pj1 h ALA 280 N 1.01 1.10 -0.55 0.00 0.00 -0.62 -1.49 119.26 118.71 1pj1 h ALA 280 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1pj1 h ALA 280 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1pj1 h ALA 280 CO 0.01 0.62 0.01 0.37 0.00 0.00 0.00 179.25 180.26 1pj1 h GLN 281 N 1.20 0.94 -0.58 0.00 5.75 -0.36 -0.80 115.11 121.25 1pj1 h GLN 281 Ca 0.30 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1pj1 h GLN 281 Cb 0.05 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1pj1 h GLN 281 CO -0.05 0.92 0.10 1.96 -2.65 0.00 0.00 178.83 179.12 1pj1 h GLN 282 N 0.87 0.93 -0.24 1.69 4.20 -0.61 0.18 115.11 122.13 1pj1 h GLN 282 Ca 0.16 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1pj1 h GLN 282 Cb 0.50 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1pj1 h GLN 282 CO 0.02 0.86 -0.33 0.93 -0.67 0.00 0.00 178.83 179.64 1pj1 h GLU 283 N 0.89 0.51 0.01 1.46 4.39 -0.92 -2.37 114.58 118.54 1pj1 h GLU 283 Ca 0.18 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1pj1 h GLU 283 Cb 0.38 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1pj1 h GLU 283 CO 0.01 0.78 -0.00 0.87 -1.16 0.00 0.00 179.01 179.50 1pj1 h LYS 284 N 0.43 -0.01 -0.07 2.33 1.57 -0.24 -2.95 116.57 117.63 1pj1 h LYS 284 Ca 0.05 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pj1 h LYS 284 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1pj1 h LYS 284 CO 0.06 0.25 0.05 -0.44 -0.57 0.00 0.00 179.45 178.81 1pj1 h ASP 285 N -0.27 0.00 -0.69 0.86 3.32 -0.57 -1.16 116.42 117.91 1pj1 h ASP 285 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1pj1 h ASP 285 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1pj1 h ASP 285 CO 0.00 0.00 0.23 -0.25 -1.72 0.00 0.00 179.24 177.50 1pj1 h TRP 286 N 0.00 1.12 -1.01 4.55 2.91 -1.25 -2.65 115.95 119.62 1pj1 h TRP 286 Ca 0.03 -0.10 0.25 0.00 1.13 0.00 0.00 58.89 60.20 1pj1 h TRP 286 Cb 0.14 -0.33 -0.12 0.00 -0.51 0.00 0.00 29.16 28.34 1pj1 h TRP 286 CO 0.00 0.88 0.60 0.00 -1.03 0.00 0.00 178.44 178.89 1pj1 h ALA 287 N 1.19 1.82 0.94 2.65 0.00 -1.15 0.29 119.26 125.01 1pj1 h ALA 287 Ca 0.23 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1pj1 h ALA 287 Cb 0.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pj1 h ALA 287 CO -0.01 -0.29 -0.45 -0.44 0.00 0.00 0.00 179.25 178.05 1pj1 h ASP 288 N 0.57 -1.07 -0.71 0.00 5.19 -1.56 0.27 116.42 119.10 1pj1 h ASP 288 Ca 0.65 0.04 0.09 0.00 -0.62 0.00 0.00 57.03 57.18 1pj1 h ASP 288 Cb 1.25 0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.99 1pj1 h ASP 288 CO -0.47 -0.76 0.47 0.22 -3.12 0.00 0.00 179.24 175.58 1pj1 h TYR 289 N -1.28 0.67 -0.10 4.55 3.20 -1.32 -0.67 116.97 122.01 1pj1 h TYR 289 Ca -0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1pj1 h TYR 289 Cb 0.97 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1pj1 h TYR 289 CO -0.00 0.33 -0.03 1.25 -1.64 0.00 0.00 178.16 178.06 1pj1 h LEU 290 N 0.63 0.21 -3.87 2.82 5.85 -0.16 -3.27 115.31 117.52 1pj1 h LEU 290 Ca 0.32 -0.37 -0.56 0.00 0.84 0.00 0.00 57.88 58.10 1pj1 h LEU 290 Cb 0.42 -0.06 -0.30 0.00 0.37 0.00 0.00 40.66 41.10 1pj1 h LEU 290 CO -0.11 0.53 0.41 0.49 -0.34 0.00 0.00 178.44 179.42 1pj1 n PHE 291 N -4.76 2.84 -0.03 1.25 3.72 0.91 -4.57 117.46 116.83 1pj1 n PHE 291 Ca -0.06 -2.49 -0.15 0.00 -0.05 0.00 0.00 57.45 54.70 1pj1 n PHE 291 Cb 0.24 -1.04 -0.10 0.00 -0.94 0.00 0.00 39.48 37.64 1pj1 n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1pj1 h ARG 292 N 1.72 0.25 -0.57 -1.08 0.11 -1.19 -3.12 114.38 110.51 1pj1 h ARG 292 Ca 0.52 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1pj1 h ARG 292 Cb 1.44 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.57 1pj1 h ARG 292 CO 1.20 0.91 0.00 -0.25 0.10 0.00 0.00 179.97 181.93 1pj1 n ASP 293 N -4.47 1.45 0.00 0.08 9.92 -1.26 -4.96 116.55 117.31 1pj1 n ASP 293 Ca -0.09 -2.10 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1pj1 n ASP 293 Cb 0.50 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1pj1 n ASP 293 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pj1 n GLY 294 N 0.41 2.86 0.00 0.44 0.00 -1.18 -4.78 105.19 102.94 1pj1 n GLY 294 Ca 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1pj1 n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pj1 n SER 295 N 0.00 0.58 -3.21 1.61 3.41 -1.26 -4.47 113.62 110.27 1pj1 n SER 295 Ca 0.00 -0.47 -0.19 0.00 -0.26 0.00 0.00 58.87 57.96 1pj1 n SER 295 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1pj1 n SER 295 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1pj1 n MET 296 N -0.33 0.45 -2.11 4.33 0.00 -0.94 -4.92 117.12 113.60 1pj1 n MET 296 Ca 0.00 -3.27 -0.42 0.00 0.00 0.00 0.00 57.70 54.01 1pj1 n MET 296 Cb 0.00 2.74 -0.03 0.00 0.00 0.00 0.00 33.22 35.93 1pj1 n MET 296 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1pj1 s ILE 297 N -3.29 3.36 0.00 3.17 1.01 -1.26 -2.64 121.20 121.55 1pj1 s ILE 297 Ca 0.39 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1pj1 s ILE 297 Cb 0.02 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1pj1 s ILE 297 CO 0.27 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1pj1 n GLY 298 N 3.72 1.12 3.33 6.18 0.00 -1.26 -4.92 105.19 113.36 1pj1 n GLY 298 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1pj1 n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj1 s LEU 299 N 0.00 -0.17 0.28 0.99 2.96 -1.08 -5.02 118.68 116.64 1pj1 s LEU 299 Ca 0.00 0.98 -0.16 0.00 -0.22 0.00 0.00 54.13 54.73 1pj1 s LEU 299 Cb 0.00 1.51 0.01 0.00 0.50 0.00 0.00 46.19 48.21 1pj1 s LEU 299 CO 0.00 -0.20 0.61 0.54 -1.32 0.00 0.00 176.35 175.98 1pj1 s ASN 300 N 1.30 -0.09 0.20 3.68 2.20 -1.26 -2.22 114.94 118.75 1pj1 s ASN 300 Ca -0.09 -0.85 -0.13 0.00 -0.94 0.00 0.00 52.86 50.85 1pj1 s ASN 300 Cb -0.07 0.67 0.24 0.00 -2.00 0.00 0.00 41.25 40.09 1pj1 s ASN 300 CO -0.12 -1.29 1.65 0.11 -2.94 0.00 0.00 177.10 174.51 1pj1 h LYS 301 N 2.12 0.05 -0.04 3.55 6.56 -1.93 -1.27 116.57 125.61 1pj1 h LYS 301 Ca -0.24 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.35 1pj1 h LYS 301 Cb 1.25 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1pj1 h LYS 301 CO 0.31 0.03 0.02 -0.44 -2.06 0.00 0.00 179.45 177.31 1pj1 h ASP 302 N 0.05 0.05 -0.66 0.86 3.32 -1.98 -1.36 116.42 116.69 1pj1 h ASP 302 Ca 0.29 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1pj1 h ASP 302 Cb 0.46 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1pj1 h ASP 302 CO -0.56 0.08 0.40 0.40 -1.72 0.00 0.00 179.24 177.84 1pj1 h ILE 303 N 0.00 1.19 -0.23 0.35 1.08 -1.88 -2.03 117.51 116.00 1pj1 h ILE 303 Ca 0.01 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1pj1 h ILE 303 Cb 0.05 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1pj1 h ILE 303 CO -0.00 0.20 0.13 0.25 -0.69 0.00 0.00 178.15 178.03 1pj1 h LEU 304 N 0.90 0.28 -1.22 1.44 6.46 -1.08 -1.06 115.31 121.04 1pj1 h LEU 304 Ca 0.24 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1pj1 h LEU 304 Cb -0.03 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 1pj1 h LEU 304 CO -0.05 0.27 0.48 0.00 -0.62 0.00 0.00 178.44 178.53 1pj1 h GLN 306 N 1.03 0.61 -0.64 0.00 1.08 -0.89 -2.08 115.11 114.22 1pj1 h GLN 306 Ca 0.27 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.29 1pj1 h GLN 306 Cb -0.09 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1pj1 h GLN 306 CO -0.06 0.54 0.07 -0.92 -0.95 0.00 0.00 178.83 177.52 1pj1 h TYR 307 N 0.53 1.16 -0.47 2.96 3.20 -0.51 -0.89 116.97 122.94 1pj1 h TYR 307 Ca 0.14 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1pj1 h TYR 307 Cb 0.14 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1pj1 h TYR 307 CO -0.01 0.98 0.31 0.28 -1.64 0.00 0.00 178.16 178.09 1pj1 h VAL 308 N 1.00 1.12 -0.51 1.81 2.07 -0.88 0.40 116.25 121.27 1pj1 h VAL 308 Ca 0.19 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1pj1 h VAL 308 Cb 0.48 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1pj1 h VAL 308 CO 0.02 0.12 -0.00 -0.33 0.02 0.00 0.00 177.57 177.39 1pj1 h GLU 309 N 0.64 0.91 0.25 1.57 5.08 -1.16 0.10 114.58 121.98 1pj1 h GLU 309 Ca 0.17 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1pj1 h GLU 309 Cb -0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1pj1 h GLU 309 CO -0.04 0.94 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.76 1pj1 h TYR 310 N 0.78 -0.61 -0.49 4.33 3.20 -0.77 -1.53 116.97 121.88 1pj1 h TYR 310 Ca 0.14 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1pj1 h TYR 310 Cb 0.53 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1pj1 h TYR 310 CO 0.04 -0.34 0.19 0.82 -1.64 0.00 0.00 178.16 177.23 1pj1 h ILE 311 N -0.51 1.21 -0.39 1.81 1.08 -0.86 -2.94 117.51 116.91 1pj1 h ILE 311 Ca -0.01 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1pj1 h ILE 311 Cb 0.46 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1pj1 h ILE 311 CO -0.04 0.25 0.21 0.74 -0.69 0.00 0.00 178.15 178.62 1pj1 h THR 312 N 0.65 1.01 -0.47 -0.27 2.02 -0.66 -1.12 112.91 114.06 1pj1 h THR 312 Ca 0.16 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.26 1pj1 h THR 312 Cb 0.20 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 1pj1 h THR 312 CO -0.01 0.08 0.15 0.78 0.37 0.00 0.00 175.52 176.89 1pj1 h ASN 313 N 0.43 0.14 0.14 4.18 4.21 -1.22 0.07 115.58 123.53 1pj1 h ASN 313 Ca 0.16 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.73 1pj1 h ASN 313 Cb 0.04 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1pj1 h ASN 313 CO -0.10 0.11 -0.11 0.40 -1.29 0.00 0.00 177.43 176.44 1pj1 h ILE 314 N 0.32 0.76 -0.57 2.81 2.04 -1.25 -1.96 117.51 119.66 1pj1 h ILE 314 Ca 0.22 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1pj1 h ILE 314 Cb 0.24 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1pj1 h ILE 314 CO -0.24 0.00 0.25 0.03 0.00 0.00 0.00 178.15 178.19 1pj1 h ARG 315 N -0.26 0.84 -0.62 2.37 2.47 -0.90 -1.84 114.38 116.44 1pj1 h ARG 315 Ca -0.01 -0.14 -0.09 0.00 -1.26 0.00 0.00 59.98 58.48 1pj1 h ARG 315 Cb 0.24 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1pj1 h ARG 315 CO -0.01 0.71 0.04 0.52 0.56 0.00 0.00 179.97 181.79 1pj1 h MET 316 N 0.78 1.07 -0.41 0.04 2.86 -0.94 -2.15 114.93 116.18 1pj1 h MET 316 Ca 0.19 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1pj1 h MET 316 Cb 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1pj1 h MET 316 CO -0.02 1.02 0.15 0.37 1.06 0.00 0.00 176.91 179.49 1pj1 h GLN 317 N 0.97 0.59 0.00 1.72 4.15 -1.21 0.21 115.11 121.54 1pj1 h GLN 317 Ca 0.18 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1pj1 h GLN 317 Cb 0.52 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1pj1 h GLN 317 CO 0.02 0.50 -0.06 0.00 -1.93 0.00 0.00 178.83 177.37 1pj1 h ALA 318 N 1.58 1.29 -0.16 3.38 0.00 -0.66 -2.40 119.26 122.29 1pj1 h ALA 318 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pj1 h ALA 318 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pj1 h ALA 318 CO -0.01 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.64 1pj1 n VAL 319 N -3.57 2.09 -1.00 0.00 0.24 -0.80 -4.96 118.33 110.33 1pj1 n VAL 319 Ca -0.02 -1.98 -0.00 0.00 -2.04 0.00 0.00 64.34 60.29 1pj1 n VAL 319 Cb 0.17 -0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1pj1 n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj1 n GLY 320 N -0.82 0.40 3.94 7.63 0.00 -0.90 -4.94 105.19 110.50 1pj1 n GLY 320 Ca 0.19 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1pj1 n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj1 s LEU 321 N -0.04 4.34 0.65 0.99 1.43 -0.01 -5.00 118.68 121.05 1pj1 s LEU 321 Ca 0.00 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 1pj1 s LEU 321 Cb 0.00 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 1pj1 s LEU 321 CO 0.00 0.07 1.16 -1.81 0.23 0.00 0.00 176.35 176.00 1pj1 s ASP 322 N -3.13 4.91 -0.18 2.29 1.01 -1.26 -3.80 116.67 116.51 1pj1 s ASP 322 Ca 0.35 2.20 -0.29 0.00 0.71 0.00 0.00 52.55 55.52 1pj1 s ASP 322 Cb -0.11 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1pj1 s ASP 322 CO 0.28 -1.77 1.08 -0.76 0.21 0.00 0.00 175.17 174.21 1pj1 s LEU 323 N -4.68 4.16 0.23 1.23 1.43 -1.26 -4.81 118.68 114.98 1pj1 s LEU 323 Ca 0.72 1.50 0.25 0.00 -1.03 0.00 0.00 54.13 55.57 1pj1 s LEU 323 Cb -0.25 -3.54 0.62 0.00 0.03 0.00 0.00 46.19 43.04 1pj1 s LEU 323 CO 0.39 -0.63 1.64 1.55 0.23 0.00 0.00 176.35 179.53 1pj1 h PRO 324 N 7.50 0.00 -5.75 1.29 0.13 -1.93 -3.47 132.00 129.76 1pj1 h PRO 324 Ca -0.24 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.35 1pj1 h PRO 324 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 1pj1 h PRO 324 CO 0.94 0.00 -0.70 -0.06 -0.23 0.00 0.00 178.00 177.96 1pj1 s PHE 325 N -3.14 2.11 0.25 1.56 0.08 -1.26 -5.11 117.98 112.46 1pj1 s PHE 325 Ca 0.09 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 1pj1 s PHE 325 Cb 0.11 -1.13 -0.09 0.00 -0.57 0.00 0.00 43.02 41.34 1pj1 s PHE 325 CO 0.64 0.45 1.32 0.54 -0.10 0.00 0.00 175.22 178.07 1pj1 s ASN 326 N -3.49 6.85 0.53 1.36 6.03 -1.26 -4.96 114.94 119.99 1pj1 s ASN 326 Ca 0.30 2.51 -0.21 0.00 -1.03 0.00 0.00 52.86 54.43 1pj1 s ASN 326 Cb 0.01 -2.62 -0.05 0.00 -3.03 0.00 0.00 41.25 35.56 1pj1 s ASN 326 CO 0.13 -0.54 1.23 -0.89 -2.03 0.00 0.00 177.10 175.00 1pj1 s THR 327 N -0.29 2.68 0.15 0.54 2.01 -1.26 -4.92 115.64 114.54 1pj1 s THR 327 Ca 0.54 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.78 1pj1 s THR 327 Cb -0.38 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 68.97 1pj1 s THR 327 CO 0.43 -0.04 0.84 0.00 -0.69 0.00 0.00 174.62 175.16 1pj1 s ARG 328 N -2.98 1.27 0.59 4.92 1.70 -1.26 -5.16 118.95 118.03 1pj1 s ARG 328 Ca 0.71 -0.63 -0.06 0.00 -0.47 0.00 0.00 55.73 55.28 1pj1 s ARG 328 Cb -0.32 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.55 1pj1 s ARG 328 CO 0.37 -0.57 0.90 -1.54 -1.08 0.00 0.00 175.30 173.38 1pj1 s SER 329 N -2.81 5.55 -0.09 -2.89 1.04 -1.26 -4.96 113.70 108.28 1pj1 s SER 329 Ca 0.09 0.68 -0.37 0.00 0.48 0.00 0.00 55.95 56.83 1pj1 s SER 329 Cb -0.02 -1.66 -0.14 0.00 0.10 0.00 0.00 66.02 64.30 1pj1 s SER 329 CO -0.01 -1.09 1.70 -3.20 0.98 0.00 0.00 173.24 171.62 1pj1 n ASN 330 N -2.59 2.74 0.23 7.02 4.05 -1.26 -4.85 115.26 120.61 1pj1 n ASN 330 Ca 0.05 1.05 0.12 0.00 0.45 0.00 0.00 54.58 56.24 1pj1 n ASN 330 Cb 0.58 -1.27 0.48 0.00 1.23 0.00 0.00 39.78 40.79 1pj1 n ASN 330 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1pj1 h PRO 331 N 7.27 0.00 -2.09 1.20 0.11 -1.93 -3.34 132.00 133.22 1pj1 h PRO 331 Ca -0.47 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 1pj1 h PRO 331 Cb 1.30 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.00 1pj1 h PRO 331 CO 0.92 0.15 -0.92 0.44 -0.21 0.00 0.00 178.00 178.38 1pj1 n ILE 332 N -3.26 0.78 -0.38 4.15 -5.35 -1.26 -4.95 119.36 109.08 1pj1 n ILE 332 Ca 0.01 -4.67 0.37 0.00 -0.27 0.00 0.00 62.75 58.18 1pj1 n ILE 332 Cb 0.42 -1.61 0.74 0.00 -1.74 0.00 0.00 39.64 37.44 1pj1 n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1pj1 h PRO 333 N 3.73 0.04 0.00 6.28 0.11 -1.98 0.80 132.00 140.97 1pj1 h PRO 333 Ca 0.12 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1pj1 h PRO 333 Cb 0.78 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1pj1 h PRO 333 CO 0.62 0.02 -0.00 0.11 -0.21 0.00 0.00 178.00 178.54 1pj1 h TRP 334 N 0.04 0.00 0.00 0.65 5.08 -1.95 -1.64 115.95 118.12 1pj1 h TRP 334 Ca 0.62 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.58 1pj1 h TRP 334 Cb 2.41 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.56 1pj1 h TRP 334 CO -0.00 0.00 -0.08 0.97 -1.28 0.00 0.00 178.44 178.05 1pj1 h ILE 335 N 0.00 0.84 -0.15 0.12 6.09 -1.27 -2.27 117.51 120.88 1pj1 h ILE 335 Ca -0.00 -0.30 0.04 0.00 -1.37 0.00 0.00 64.86 63.24 1pj1 h ILE 335 Cb 0.01 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 1pj1 h ILE 335 CO 0.00 0.08 0.17 0.78 -3.07 0.00 0.00 178.15 176.11 1pj1 h ASN 336 N 0.00 0.00 0.54 2.19 -0.26 -1.49 -0.53 115.58 116.03 1pj1 h ASN 336 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1pj1 h ASN 336 Cb 0.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1pj1 h ASN 336 CO 0.01 0.00 -0.18 0.74 -1.06 0.00 0.00 177.43 176.94 1pj1 h THR 337 N 0.00 0.63 0.00 2.81 2.02 -1.61 -3.13 112.91 113.63 1pj1 h THR 337 Ca 0.07 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1pj1 h THR 337 Cb 0.40 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1pj1 h THR 337 CO -0.00 0.18 -1.20 0.79 0.37 0.00 0.00 175.52 175.65 1pj1 n TRP 338 N -3.60 0.00 -4.17 3.16 7.02 -0.24 -5.00 117.44 114.61 1pj1 n TRP 338 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 1pj1 n TRP 338 Cb 0.32 -0.17 -0.08 0.00 -2.42 0.00 0.00 31.31 28.96 1pj1 n TRP 338 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1pj1 s LEU 339 N -3.38 3.61 0.00 -0.99 1.02 -0.98 -4.81 118.68 113.15 1pj1 s LEU 339 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.13 1pj1 s LEU 339 Cb 0.12 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1pj1 s LEU 339 CO 0.68 0.23 0.00 0.52 0.02 0.00 0.00 176.35 177.80