#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji3 s SER 2 N 0.00 5.10 0.23 0.00 1.04 -1.26 -5.14 113.70 113.67 1ji3 s SER 2 Ca 0.00 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 1ji3 s SER 2 Cb 0.00 -0.58 -0.09 0.00 0.10 0.00 0.00 66.02 65.45 1ji3 s SER 2 CO 0.00 -0.66 0.91 -0.76 0.98 0.00 0.00 173.24 173.71 1ji3 s LEU 3 N -4.15 4.64 0.15 2.42 1.43 -1.26 -5.01 118.68 116.90 1ji3 s LEU 3 Ca 0.49 1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 1ji3 s LEU 3 Cb -0.04 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1ji3 s LEU 3 CO 0.28 0.17 1.11 -0.60 0.23 0.00 0.00 176.35 177.54 1ji3 s ARG 4 N -1.17 4.56 0.00 1.70 3.52 -1.26 -4.40 118.95 121.90 1ji3 s ARG 4 Ca 0.40 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1ji3 s ARG 4 Cb -0.25 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1ji3 s ARG 4 CO 0.31 0.01 0.35 0.00 -0.81 0.00 0.00 175.30 175.15 1ji3 n ALA 5 N 2.75 1.69 -2.57 6.12 0.00 0.23 -4.96 120.51 123.77 1ji3 n ALA 5 Ca 0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1ji3 n ALA 5 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1ji3 n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ji3 s ASN 6 N -0.01 0.12 -0.02 0.00 2.20 -1.15 -4.51 114.94 111.57 1ji3 s ASN 6 Ca 0.00 -0.79 0.18 0.00 -0.94 0.00 0.00 52.86 51.31 1ji3 s ASN 6 Cb 0.00 0.37 0.54 0.00 -2.00 0.00 0.00 41.25 40.16 1ji3 s ASN 6 CO 0.00 -0.79 1.45 0.47 -2.94 0.00 0.00 177.10 175.29 1ji3 n ASP 7 N -0.12 3.72 -4.63 3.54 9.92 -1.26 -4.91 116.55 122.81 1ji3 n ASP 7 Ca -0.11 -2.08 -0.43 0.00 -0.53 0.00 0.00 54.79 51.64 1ji3 n ASP 7 Cb 0.63 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 1ji3 n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ji3 s ALA 8 N -1.14 3.24 0.81 2.24 0.00 -1.26 -4.97 121.76 120.68 1ji3 s ALA 8 Ca 0.41 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1ji3 s ALA 8 Cb 0.22 -3.88 0.08 0.00 0.00 0.00 0.00 23.12 19.55 1ji3 s ALA 8 CO 0.26 -2.01 1.20 -1.25 0.00 0.00 0.00 175.76 173.96 1ji3 s PRO 9 N 4.85 1.64 -0.09 0.00 0.04 -1.24 -4.52 135.00 135.68 1ji3 s PRO 9 Ca 0.77 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 1ji3 s PRO 9 Cb -0.28 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ji3 s PRO 9 CO 0.31 -2.20 0.23 0.42 0.04 0.00 0.00 177.00 175.80 1ji3 s ILE 10 N -2.21 5.35 -0.12 0.56 1.01 0.41 -0.71 121.20 125.50 1ji3 s ILE 10 Ca 0.72 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.80 1ji3 s ILE 10 Cb -0.28 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1ji3 s ILE 10 CO 0.51 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 175.21 1ji3 s VAL 11 N -0.86 1.39 -0.05 2.92 1.01 0.83 -0.97 120.40 124.66 1ji3 s VAL 11 Ca 0.17 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1ji3 s VAL 11 Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1ji3 s VAL 11 CO 0.06 0.42 0.48 -0.76 0.00 0.00 0.00 175.10 175.30 1ji3 s LEU 12 N 1.23 4.38 -0.08 3.92 1.43 -0.55 -1.34 118.68 127.66 1ji3 s LEU 12 Ca -0.02 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1ji3 s LEU 12 Cb -0.14 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1ji3 s LEU 12 CO -0.05 0.14 0.03 -0.22 0.23 0.00 0.00 176.35 176.48 1ji3 s LEU 13 N -0.16 0.49 1.04 1.79 2.96 -0.18 -1.86 118.68 122.75 1ji3 s LEU 13 Ca 0.26 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.86 1ji3 s LEU 13 Cb -0.16 -0.35 0.23 0.00 0.50 0.00 0.00 46.19 46.41 1ji3 s LEU 13 CO 0.13 -0.23 1.26 -1.38 -1.32 0.00 0.00 176.35 174.80 1ji3 s HIS 14 N 2.03 1.21 0.00 5.38 -3.43 -1.26 -1.47 115.29 117.75 1ji3 s HIS 14 Ca 0.04 0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 1ji3 s HIS 14 Cb -0.13 -3.92 0.00 0.00 -1.43 0.00 0.00 32.58 27.10 1ji3 s HIS 14 CO -0.05 -3.07 0.00 0.41 -2.00 0.00 0.00 174.74 170.03 1ji3 n GLY 15 N -2.87 2.35 0.04 -1.38 0.00 -1.17 -2.78 105.19 99.38 1ji3 n GLY 15 Ca 0.15 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.28 1ji3 n GLY 15 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ji3 n PHE 16 N 0.00 0.00 -4.44 1.61 1.16 -1.26 -4.42 117.46 110.11 1ji3 n PHE 16 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 1ji3 n PHE 16 Cb 0.00 -0.16 -0.10 0.00 -1.61 0.00 0.00 39.48 37.61 1ji3 n PHE 16 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ji3 s THR 17 N -2.35 2.62 0.00 1.97 -4.23 -1.26 -4.45 115.64 107.93 1ji3 s THR 17 Ca 0.35 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1ji3 s THR 17 Cb 0.21 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1ji3 s THR 17 CO 0.43 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1ji3 n GLY 18 N -0.67 4.01 3.38 3.99 0.00 -1.26 -4.83 105.19 109.80 1ji3 n GLY 18 Ca -0.05 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1ji3 n GLY 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ji3 s TRP 19 N -1.93 -0.42 0.99 1.61 -2.14 -1.26 -4.74 118.94 111.05 1ji3 s TRP 19 Ca 0.00 0.19 -0.11 0.00 2.66 0.00 0.00 56.10 58.84 1ji3 s TRP 19 Cb 0.00 0.44 0.18 0.00 -3.10 0.00 0.00 33.47 30.99 1ji3 s TRP 19 CO 0.00 -0.78 1.09 0.20 -2.66 0.00 0.00 176.95 174.80 1ji3 s GLY 20 N -2.70 1.62 0.48 3.67 0.00 -1.26 -4.64 107.32 104.49 1ji3 s GLY 20 Ca 0.01 0.13 0.18 0.00 0.00 0.00 0.00 44.72 45.05 1ji3 s GLY 20 CO -0.12 0.67 2.01 3.21 0.00 0.00 0.00 173.10 178.87 1ji3 h ARG 21 N -1.99 0.21 -0.44 2.90 3.08 -1.94 -1.62 114.38 114.57 1ji3 h ARG 21 Ca -0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1ji3 h ARG 21 Cb 1.29 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1ji3 h ARG 21 CO 0.49 0.14 0.00 0.39 -1.07 0.00 0.00 179.97 179.92 1ji3 n GLU 22 N -4.45 2.43 -2.65 0.04 1.02 -1.26 -4.35 120.64 111.42 1ji3 n GLU 22 Ca 0.08 -2.18 -0.22 0.00 -0.02 0.00 0.00 57.16 54.82 1ji3 n GLU 22 Cb 0.42 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.41 1ji3 n GLU 22 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ji3 s GLU 23 N -1.43 2.15 -1.22 3.49 2.02 -0.61 -4.22 118.70 118.88 1ji3 s GLU 23 Ca 0.40 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 1ji3 s GLU 23 Cb 0.22 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 32.04 1ji3 s GLU 23 CO 0.31 -1.04 0.22 -1.33 0.02 0.00 0.00 175.26 173.43 1ji3 n MET 24 N -2.54 -2.86 -0.15 1.61 2.81 0.12 -2.49 117.12 113.62 1ji3 n MET 24 Ca 0.12 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 1ji3 n MET 24 Cb 0.60 -5.29 0.00 0.00 -0.71 0.00 0.00 33.22 27.82 1ji3 n MET 24 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ji3 n PHE 25 N -3.72 0.00 0.00 2.03 3.72 -1.26 -2.24 117.46 115.99 1ji3 n PHE 25 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1ji3 n PHE 25 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1ji3 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji3 n GLY 26 N 0.57 1.59 3.67 1.37 0.00 -1.04 -4.94 105.19 106.42 1ji3 n GLY 26 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ji3 n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ji3 s PHE 27 N -0.07 2.13 -0.08 1.61 5.36 -0.95 -4.93 117.98 121.05 1ji3 s PHE 27 Ca 0.00 0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 56.04 1ji3 s PHE 27 Cb 0.00 -3.97 -0.05 0.00 -0.34 0.00 0.00 43.02 38.66 1ji3 s PHE 27 CO 0.00 -4.01 0.29 0.15 -1.46 0.00 0.00 175.22 170.19 1ji3 s LYS 28 N 3.39 3.88 0.15 10.12 -0.14 -1.26 -4.74 119.74 131.13 1ji3 s LYS 28 Ca 0.75 0.16 -0.16 0.00 -1.36 0.00 0.00 55.97 55.36 1ji3 s LYS 28 Cb -0.37 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.52 1ji3 s LYS 28 CO 0.32 0.58 1.76 -0.92 -0.76 0.00 0.00 175.35 176.34 1ji3 h TYR 29 N 5.38 0.57 -1.84 3.18 5.03 -1.91 0.77 116.97 128.15 1ji3 h TYR 29 Ca -0.49 -0.01 -0.70 0.00 2.58 0.00 0.00 58.73 60.11 1ji3 h TYR 29 Cb 1.21 -0.18 -0.15 0.00 1.55 0.00 0.00 36.73 39.15 1ji3 h TYR 29 CO 0.69 0.42 1.39 -1.58 -1.32 0.00 0.00 178.16 177.77 1ji3 s TRP 30 N -5.91 3.13 0.00 -3.82 0.52 -1.26 -3.91 118.94 107.69 1ji3 s TRP 30 Ca -0.13 -1.66 0.00 0.00 0.02 0.00 0.00 56.10 54.33 1ji3 s TRP 30 Cb 0.11 -4.44 0.00 0.00 -1.15 0.00 0.00 33.47 27.99 1ji3 s TRP 30 CO 0.74 -1.57 0.00 0.41 0.02 0.00 0.00 176.95 176.55 1ji3 n GLY 31 N 5.10 2.64 7.00 0.98 0.00 0.13 -1.34 105.19 119.70 1ji3 n GLY 31 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ji3 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 32 N 0.00 2.82 0.00 -0.02 0.00 0.26 -0.64 105.19 107.61 1ji3 n GLY 32 Ca 0.00 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1ji3 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ji3 n VAL 33 N 0.00 0.07 0.68 1.61 0.24 -0.10 -3.08 118.33 117.74 1ji3 n VAL 33 Ca 0.00 0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.44 1ji3 n VAL 33 Cb 0.00 -0.54 0.21 0.00 -1.47 0.00 0.00 33.84 32.05 1ji3 n VAL 33 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ji3 n ARG 34 N -1.42 0.22 0.00 7.34 5.12 0.18 -5.07 116.66 123.03 1ji3 n ARG 34 Ca 0.09 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1ji3 n ARG 34 Cb 0.29 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1ji3 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ji3 n GLY 35 N 1.38 0.78 2.80 -0.13 0.00 -1.17 -5.04 105.19 103.80 1ji3 n GLY 35 Ca 0.04 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1ji3 n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ji3 s ASP 36 N -4.00 4.19 0.21 1.61 -1.08 -1.26 -3.29 116.67 113.04 1ji3 s ASP 36 Ca 0.00 -1.80 -0.09 0.00 -0.52 0.00 0.00 52.55 50.14 1ji3 s ASP 36 Cb 0.00 -1.05 0.15 0.00 -1.46 0.00 0.00 42.92 40.56 1ji3 s ASP 36 CO 0.00 -0.40 1.81 0.40 0.52 0.00 0.00 175.17 177.50 1ji3 h ILE 37 N 6.47 1.24 -0.66 4.11 2.04 -1.57 -1.63 117.51 127.51 1ji3 h ILE 37 Ca -0.11 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1ji3 h ILE 37 Cb 1.01 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1ji3 h ILE 37 CO 0.48 0.28 0.32 -0.08 0.00 0.00 0.00 178.15 179.15 1ji3 h GLU 38 N 1.08 0.55 -0.74 2.37 4.81 -1.96 -1.54 114.58 119.15 1ji3 h GLU 38 Ca 0.27 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1ji3 h GLU 38 Cb 0.08 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1ji3 h GLU 38 CO -0.04 0.36 0.46 0.37 -0.73 0.00 0.00 179.01 179.43 1ji3 h GLN 39 N 0.56 0.99 -0.67 1.92 5.75 -1.70 -1.55 115.11 120.42 1ji3 h GLN 39 Ca 0.32 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1ji3 h GLN 39 Cb 0.31 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1ji3 h GLN 39 CO -0.25 0.68 0.40 -1.49 -2.65 0.00 0.00 178.83 175.53 1ji3 h TRP 40 N 1.00 0.88 -0.33 3.99 6.55 -0.90 0.12 115.95 127.27 1ji3 h TRP 40 Ca 0.27 -0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.98 1ji3 h TRP 40 Cb -0.06 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.94 1ji3 h TRP 40 CO -0.01 0.59 -0.30 -0.07 -1.05 0.00 0.00 178.44 177.60 1ji3 h LEU 41 N 0.91 0.73 -0.35 -4.49 3.38 -0.43 -1.34 115.31 113.71 1ji3 h LEU 41 Ca 0.24 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ji3 h LEU 41 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1ji3 h LEU 41 CO -0.05 0.98 0.03 0.78 0.09 0.00 0.00 178.44 180.28 1ji3 h ASN 42 N 0.60 0.58 1.16 -0.43 2.35 -1.15 1.37 115.58 120.06 1ji3 h ASN 42 Ca 0.07 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1ji3 h ASN 42 Cb 0.81 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1ji3 h ASN 42 CO 0.07 0.72 0.00 0.44 -1.65 0.00 0.00 177.43 177.01 1ji3 h ASP 43 N 0.43 0.00 -0.58 5.81 3.32 -0.39 -1.88 116.42 123.13 1ji3 h ASP 43 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ji3 h ASP 43 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1ji3 h ASP 43 CO 0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 1ji3 n ASN 44 N -2.76 4.51 0.00 6.45 3.02 -0.54 -4.94 115.26 121.01 1ji3 n ASN 44 Ca 0.02 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1ji3 n ASN 44 Cb 0.34 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1ji3 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ji3 n GLY 45 N 0.89 0.71 3.15 7.41 0.00 -0.70 -5.02 105.19 111.63 1ji3 n GLY 45 Ca 0.24 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1ji3 n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ji3 s TYR 46 N -2.00 3.52 0.12 1.61 2.02 0.47 -4.97 117.35 118.11 1ji3 s TYR 46 Ca 0.00 -2.24 -0.33 0.00 -0.37 0.00 0.00 57.07 54.13 1ji3 s TYR 46 Cb 0.00 -3.34 -0.13 0.00 -0.40 0.00 0.00 41.96 38.10 1ji3 s TYR 46 CO 0.00 -0.97 1.70 -2.13 -1.57 0.00 0.00 175.55 172.58 1ji3 n ARG 47 N 4.60 2.37 -3.84 -0.62 3.00 -1.26 -3.07 116.66 117.83 1ji3 n ARG 47 Ca -0.03 0.86 -0.12 0.00 -0.00 0.00 0.00 57.85 58.55 1ji3 n ARG 47 Cb 0.41 -2.67 -0.13 0.00 0.00 0.00 0.00 32.46 30.07 1ji3 n ARG 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1ji3 s THR 48 N 1.82 0.01 0.21 5.15 2.01 -1.26 -0.44 115.64 123.13 1ji3 s THR 48 Ca 0.81 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.80 1ji3 s THR 48 Cb -0.62 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1ji3 s THR 48 CO 0.39 -0.03 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.92 1ji3 s TYR 49 N -0.06 1.56 -0.05 4.92 1.51 -0.15 -4.93 117.35 120.15 1ji3 s TYR 49 Ca -0.01 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.28 1ji3 s TYR 49 Cb -0.01 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1ji3 s TYR 49 CO 0.00 0.10 -0.15 0.99 -1.11 0.00 0.00 175.55 175.38 1ji3 s THR 50 N -3.27 1.28 0.12 -0.71 2.01 -1.26 -1.49 115.64 112.32 1ji3 s THR 50 Ca 0.25 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1ji3 s THR 50 Cb 0.04 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1ji3 s THR 50 CO 0.07 0.38 0.24 -0.76 -0.69 0.00 0.00 174.62 173.85 1ji3 s LEU 51 N 0.31 4.27 -0.18 4.42 1.43 -0.78 -4.94 118.68 123.21 1ji3 s LEU 51 Ca -0.09 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1ji3 s LEU 51 Cb -0.13 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.29 1ji3 s LEU 51 CO 0.03 0.10 0.07 0.00 0.23 0.00 0.00 176.35 176.78 1ji3 s ALA 52 N -1.65 0.64 0.45 4.21 0.00 -1.26 -4.65 121.76 119.50 1ji3 s ALA 52 Ca 0.34 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1ji3 s ALA 52 Cb -0.12 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1ji3 s ALA 52 CO 0.28 -1.19 0.08 0.14 0.00 0.00 0.00 175.76 175.07 1ji3 s VAL 53 N 2.04 1.83 -0.04 0.00 -7.23 -1.26 -4.92 120.40 110.81 1ji3 s VAL 53 Ca 0.01 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 57.99 1ji3 s VAL 53 Cb -0.16 -2.72 -0.10 0.00 0.56 0.00 0.00 36.38 33.96 1ji3 s VAL 53 CO -0.10 0.00 1.98 0.61 -0.31 0.00 0.00 175.10 177.28 1ji3 n GLY 54 N -1.18 1.61 0.23 2.32 0.00 -1.26 -4.88 105.19 102.03 1ji3 n GLY 54 Ca -0.07 0.84 0.07 0.00 0.00 0.00 0.00 46.02 46.85 1ji3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ji3 h PRO 55 N 10.67 0.00 -0.01 1.61 0.11 -1.82 -3.13 132.00 139.42 1ji3 h PRO 55 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ji3 h PRO 55 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ji3 h PRO 55 CO 0.95 0.18 -0.04 1.28 -0.21 0.00 0.00 178.00 180.16 1ji3 n LEU 56 N -4.13 1.89 -4.87 2.35 4.77 -1.26 -4.10 117.00 111.65 1ji3 n LEU 56 Ca -0.02 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1ji3 n LEU 56 Cb 0.25 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1ji3 n LEU 56 CO 0.35 0.36 0.75 -0.44 -1.33 0.00 0.00 177.39 177.08 1ji3 s SER 57 N -1.08 4.93 0.72 -1.43 0.01 -1.19 -0.54 113.70 115.13 1ji3 s SER 57 Ca 0.13 1.06 -0.13 0.00 1.31 0.00 0.00 55.95 58.33 1ji3 s SER 57 Cb 0.10 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.60 1ji3 s SER 57 CO 0.17 -1.67 1.10 -0.94 0.41 0.00 0.00 173.24 172.32 1ji3 s SER 58 N -4.32 4.75 0.27 2.44 1.04 -1.25 -2.20 113.70 114.44 1ji3 s SER 58 Ca 0.60 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1ji3 s SER 58 Cb -0.12 -2.54 0.56 0.00 0.10 0.00 0.00 66.02 64.03 1ji3 s SER 58 CO 0.52 -1.87 1.78 0.78 0.98 0.00 0.00 173.24 175.43 1ji3 h ASN 59 N -0.57 0.66 0.05 7.02 2.35 -1.94 -0.48 115.58 122.67 1ji3 h ASN 59 Ca -0.45 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.40 1ji3 h ASN 59 Cb 1.24 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 1ji3 h ASN 59 CO 0.52 0.29 -0.24 -0.25 -1.65 0.00 0.00 177.43 176.11 1ji3 h TRP 60 N 0.73 -0.64 -0.59 1.19 2.91 -1.96 0.14 115.95 117.73 1ji3 h TRP 60 Ca 0.48 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.54 1ji3 h TRP 60 Cb 0.65 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.54 1ji3 h TRP 60 CO -0.06 -0.33 0.38 -0.44 -1.03 0.00 0.00 178.44 176.96 1ji3 h ASP 61 N -0.40 0.64 -0.46 2.65 5.19 -1.78 -1.06 116.42 121.19 1ji3 h ASP 61 Ca 0.05 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1ji3 h ASP 61 Cb 0.46 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1ji3 h ASP 61 CO -0.18 0.46 0.31 0.03 -3.12 0.00 0.00 179.24 176.73 1ji3 h ARG 62 N 0.76 0.60 -0.25 3.56 3.08 -0.75 -1.49 114.38 119.89 1ji3 h ARG 62 Ca 0.22 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1ji3 h ARG 62 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1ji3 h ARG 62 CO -0.07 0.40 -0.17 0.28 -1.07 0.00 0.00 179.97 179.33 1ji3 h VAL 63 N 0.62 1.31 -0.81 2.04 2.07 0.49 0.19 116.25 122.15 1ji3 h VAL 63 Ca 0.17 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1ji3 h VAL 63 Cb -0.05 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1ji3 h VAL 63 CO -0.04 0.40 0.41 0.00 0.02 0.00 0.00 177.57 178.36 1ji3 h GLU 65 N 1.14 0.60 -0.68 0.00 5.08 -1.04 -2.50 114.58 117.18 1ji3 h GLU 65 Ca 0.28 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ji3 h GLU 65 Cb 0.08 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1ji3 h GLU 65 CO -0.04 0.88 0.45 0.00 -1.00 0.00 0.00 179.01 179.30 1ji3 h ALA 66 N 0.71 0.87 -0.14 3.43 0.00 -0.22 0.11 119.26 124.02 1ji3 h ALA 66 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ji3 h ALA 66 Cb 0.74 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ji3 h ALA 66 CO 0.05 0.27 0.05 -0.92 0.00 0.00 0.00 179.25 178.71 1ji3 h TYR 67 N 0.91 0.09 0.00 0.00 3.20 -0.03 -1.72 116.97 119.43 1ji3 h TYR 67 Ca 0.25 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1ji3 h TYR 67 Cb -0.09 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1ji3 h TYR 67 CO -0.03 0.05 -0.48 -0.24 -1.64 0.00 0.00 178.16 175.82 1ji3 h VAL 68 N 0.12 1.26 -0.03 1.81 3.04 -1.27 -0.80 116.25 120.38 1ji3 h VAL 68 Ca 0.06 -1.69 -0.07 0.00 -1.01 0.00 0.00 66.70 64.00 1ji3 h VAL 68 Cb 0.03 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1ji3 h VAL 68 CO -0.06 0.47 -0.29 1.56 -1.01 0.00 0.00 177.57 178.24 1ji3 h GLN 69 N 0.00 0.06 0.00 4.17 4.20 -0.46 -0.60 115.11 122.47 1ji3 h GLN 69 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1ji3 h GLN 69 Cb 0.89 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1ji3 h GLN 69 CO 0.06 0.34 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.41 1ji3 h LEU 70 N 0.05 0.00 -0.01 1.46 3.38 -0.52 -0.74 115.31 118.93 1ji3 h LEU 70 Ca 0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ji3 h LEU 70 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ji3 h LEU 70 CO 0.04 0.75 -0.52 1.33 0.09 0.00 0.00 178.44 180.13 1ji3 n VAL 71 N -4.69 0.00 0.00 1.22 0.24 -0.38 -0.12 118.33 114.60 1ji3 n VAL 71 Ca -0.06 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1ji3 n VAL 71 Cb 0.23 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1ji3 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ji3 n GLY 72 N 1.50 0.22 0.00 7.63 0.00 -0.23 -4.37 105.19 109.94 1ji3 n GLY 72 Ca 0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1ji3 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 73 N 0.68 0.51 3.71 -0.02 0.00 0.94 -4.84 105.19 106.16 1ji3 n GLY 73 Ca 0.00 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1ji3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji3 s THR 74 N -0.70 5.37 0.38 2.61 2.01 -1.26 0.11 115.64 124.16 1ji3 s THR 74 Ca 0.00 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 1ji3 s THR 74 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.88 1ji3 s THR 74 CO 0.00 0.40 1.20 0.52 -0.69 0.00 0.00 174.62 176.05 1ji3 n VAL 75 N 3.79 2.29 -3.69 3.82 0.31 0.26 -4.87 118.33 120.24 1ji3 n VAL 75 Ca -0.15 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.42 1ji3 n VAL 75 Cb 0.52 -1.43 -0.17 0.00 -0.91 0.00 0.00 33.84 31.85 1ji3 n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ji3 s ASP 76 N -0.50 2.62 0.00 4.52 -1.08 -1.26 -2.44 116.67 118.53 1ji3 s ASP 76 Ca 0.59 -0.70 0.30 0.00 -0.52 0.00 0.00 52.55 52.22 1ji3 s ASP 76 Cb -0.56 -0.44 1.58 0.00 -1.46 0.00 0.00 42.92 42.04 1ji3 s ASP 76 CO 0.59 -0.32 2.05 -1.22 0.52 0.00 0.00 175.17 176.79 1ji3 n TYR 77 N 5.15 0.00 -0.07 -5.34 4.01 0.24 -4.90 117.16 116.25 1ji3 n TYR 77 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1ji3 n TYR 77 Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1ji3 n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ji3 n GLY 78 N 1.08 -0.31 0.24 2.72 0.00 -1.26 -4.47 105.19 103.19 1ji3 n GLY 78 Ca 0.22 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 1ji3 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji3 h ALA 79 N 0.00 1.21 -0.16 4.61 0.00 -1.92 -1.36 119.26 121.64 1ji3 h ALA 79 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1ji3 h ALA 79 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ji3 h ALA 79 CO 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.55 1ji3 h ALA 80 N 1.40 0.24 -0.57 0.00 0.00 -1.90 -2.28 119.26 116.14 1ji3 h ALA 80 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ji3 h ALA 80 Cb 0.58 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ji3 h ALA 80 CO 0.04 0.19 0.33 1.25 0.00 0.00 0.00 179.25 181.06 1ji3 h HIS 81 N 0.06 0.62 -0.44 0.00 6.17 -1.76 -0.69 115.15 119.12 1ji3 h HIS 81 Ca 0.02 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.05 1ji3 h HIS 81 Cb 0.78 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 1ji3 h HIS 81 CO 0.09 0.34 -0.01 0.00 0.71 0.00 0.00 177.93 179.06 1ji3 h ALA 82 N 1.27 0.59 -0.16 5.26 0.00 -1.19 -1.28 119.26 123.74 1ji3 h ALA 82 Ca 0.24 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1ji3 h ALA 82 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ji3 h ALA 82 CO -0.12 0.39 -0.47 0.00 0.00 0.00 0.00 179.25 179.05 1ji3 h ALA 83 N 0.90 0.89 -0.71 0.00 0.00 -1.29 -0.63 119.26 118.42 1ji3 h ALA 83 Ca 0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1ji3 h ALA 83 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ji3 h ALA 83 CO 0.02 0.65 0.18 -0.22 0.00 0.00 0.00 179.25 179.89 1ji3 h LYS 84 N 0.33 1.13 -0.02 0.00 3.64 -0.76 -3.26 116.57 117.63 1ji3 h LYS 84 Ca 0.02 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1ji3 h LYS 84 Cb 0.95 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1ji3 h LYS 84 CO 0.08 0.99 -0.21 0.72 -2.27 0.00 0.00 179.45 178.76 1ji3 n HIS 85 N -4.24 0.00 -3.20 1.91 8.25 -0.51 -5.00 115.22 112.43 1ji3 n HIS 85 Ca 0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 1ji3 n HIS 85 Cb 0.25 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.42 1ji3 n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ji3 n GLY 86 N 1.36 -0.12 3.50 -1.41 0.00 -0.28 -5.05 105.19 103.20 1ji3 n GLY 86 Ca 0.12 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1ji3 n GLY 86 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ji3 s HIS 87 N -3.24 1.87 0.55 1.61 -3.43 -1.01 -5.00 115.29 106.64 1ji3 s HIS 87 Ca 0.30 -1.12 -0.20 0.00 -0.80 0.00 0.00 55.06 53.24 1ji3 s HIS 87 Cb -0.13 -1.24 -0.05 0.00 -1.43 0.00 0.00 32.58 29.72 1ji3 s HIS 87 CO 0.52 -0.13 1.17 0.00 -2.00 0.00 0.00 174.74 174.30 1ji3 s ALA 88 N -3.23 2.68 0.11 -1.38 0.00 -0.18 -4.57 121.76 115.19 1ji3 s ALA 88 Ca 0.28 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 1ji3 s ALA 88 Cb 0.05 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1ji3 s ALA 88 CO 0.14 -0.90 1.35 -0.09 0.00 0.00 0.00 175.76 176.26 1ji3 h ARG 89 N 1.21 0.82 -5.95 0.00 2.43 -1.91 -3.45 114.38 107.54 1ji3 h ARG 89 Ca -0.50 -0.60 -0.68 0.00 -0.81 0.00 0.00 59.98 57.39 1ji3 h ARG 89 Cb 1.27 0.10 -0.18 0.00 -0.42 0.00 0.00 29.97 30.74 1ji3 h ARG 89 CO 0.57 1.22 -0.67 -0.06 -1.51 0.00 0.00 179.97 179.52 1ji3 s PHE 90 N -3.92 3.01 0.00 2.20 0.08 -1.26 -0.59 117.98 117.49 1ji3 s PHE 90 Ca -0.11 0.01 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1ji3 s PHE 90 Cb 0.09 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1ji3 s PHE 90 CO 0.90 0.31 0.00 0.41 -0.10 0.00 0.00 175.22 176.73 1ji3 n GLY 91 N 2.42 3.87 3.82 4.36 0.00 -1.02 -4.79 105.19 113.85 1ji3 n GLY 91 Ca -0.18 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1ji3 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ji3 s ARG 92 N 4.84 2.45 -0.09 1.61 0.52 -1.26 -4.41 118.95 122.61 1ji3 s ARG 92 Ca 0.00 0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1ji3 s ARG 92 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 1ji3 s ARG 92 CO 0.00 -1.38 -0.05 0.99 0.02 0.00 0.00 175.30 174.88 1ji3 s THR 93 N -3.15 3.83 0.13 0.02 2.01 -1.26 -0.57 115.64 116.64 1ji3 s THR 93 Ca 0.60 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1ji3 s THR 93 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1ji3 s THR 93 CO 0.54 0.58 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.56 1ji3 s TYR 94 N -0.57 1.70 0.27 4.92 2.02 0.31 -4.94 117.35 121.06 1ji3 s TYR 94 Ca 0.09 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 1ji3 s TYR 94 Cb -0.12 -0.89 0.36 0.00 -0.40 0.00 0.00 41.96 40.92 1ji3 s TYR 94 CO 0.02 0.24 1.66 -1.00 -1.57 0.00 0.00 175.55 174.90 1ji3 h PRO 95 N 3.66 0.38 0.00 -1.71 0.13 -1.87 0.27 132.00 132.85 1ji3 h PRO 95 Ca -0.43 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1ji3 h PRO 95 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ji3 h PRO 95 CO 0.46 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1ji3 n GLY 96 N -0.15 2.23 0.09 1.56 0.00 -1.26 -4.25 105.19 103.41 1ji3 n GLY 96 Ca -0.01 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1ji3 n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ji3 n LEU 97 N 0.00 1.10 -3.16 0.99 4.77 -0.28 -4.65 117.00 115.76 1ji3 n LEU 97 Ca 0.00 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1ji3 n LEU 97 Cb 0.00 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ji3 n LEU 97 CO 0.00 0.46 -0.20 0.18 -1.33 0.00 0.00 177.39 176.50 1ji3 n LEU 98 N -3.10 0.59 0.32 2.23 4.77 0.83 -4.94 117.00 117.71 1ji3 n LEU 98 Ca -0.20 -4.91 0.20 0.00 -0.03 0.00 0.00 56.01 51.07 1ji3 n LEU 98 Cb 1.06 0.72 1.07 0.00 -2.33 0.00 0.00 43.42 43.94 1ji3 n LEU 98 CO 0.45 2.26 1.14 1.55 -1.33 0.00 0.00 177.39 181.46 1ji3 h PRO 99 N 3.09 0.00 -0.28 3.23 0.13 -1.74 0.35 132.00 136.77 1ji3 h PRO 99 Ca 0.09 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.30 1ji3 h PRO 99 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1ji3 h PRO 99 CO 0.48 0.01 0.34 1.05 -0.23 0.00 0.00 178.00 179.65 1ji3 h GLU 100 N 0.00 0.00 -0.03 0.86 9.09 -1.90 0.18 114.58 122.77 1ji3 h GLU 100 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 1ji3 h GLU 100 Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1ji3 h GLU 100 CO 0.00 0.00 0.04 -0.07 0.05 0.00 0.00 179.01 179.03 1ji3 h LEU 101 N 0.00 0.00 -2.03 3.06 3.38 -0.41 0.22 115.31 119.52 1ji3 h LEU 101 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ji3 h LEU 101 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ji3 h LEU 101 CO -0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1ji3 h LYS 102 N 0.00 0.00 0.00 1.13 1.57 -0.84 -2.93 116.57 115.50 1ji3 h LYS 102 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ji3 h LYS 102 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ji3 h LYS 102 CO -0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1ji3 n ARG 103 N -2.75 -0.69 0.00 3.15 1.74 0.03 -5.10 116.66 113.04 1ji3 n ARG 103 Ca -0.01 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 1ji3 n ARG 103 Cb 0.12 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1ji3 n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ji3 n GLY 104 N -0.02 0.78 0.12 -0.13 0.00 -1.00 -5.15 105.19 99.79 1ji3 n GLY 104 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1ji3 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 105 N -1.53 -3.48 3.64 -0.02 0.00 -1.26 -3.90 105.19 98.65 1ji3 n GLY 105 Ca 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1ji3 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ji3 s ARG 106 N -0.96 1.85 0.06 1.61 1.81 -1.26 -4.79 118.95 117.26 1ji3 s ARG 106 Ca 0.00 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 52.59 1ji3 s ARG 106 Cb 0.00 0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 34.98 1ji3 s ARG 106 CO 0.00 -0.81 -0.04 0.96 -0.68 0.00 0.00 175.30 174.73 1ji3 s ILE 107 N -3.31 0.34 -0.13 1.52 -4.36 -0.81 -3.69 121.20 110.76 1ji3 s ILE 107 Ca 0.22 -1.61 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1ji3 s ILE 107 Cb -0.02 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 1ji3 s ILE 107 CO 0.13 -0.82 -0.03 -1.00 0.24 0.00 0.00 174.94 173.46 1ji3 s HIS 108 N -3.16 3.06 -0.18 1.37 3.76 0.11 -0.74 115.29 119.52 1ji3 s HIS 108 Ca 0.02 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1ji3 s HIS 108 Cb 0.02 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1ji3 s HIS 108 CO -0.06 0.13 -0.04 0.42 -0.85 0.00 0.00 174.74 174.33 1ji3 s ILE 109 N -0.04 3.66 -0.15 0.60 1.01 -0.13 -0.12 121.20 126.03 1ji3 s ILE 109 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1ji3 s ILE 109 Cb -0.13 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1ji3 s ILE 109 CO 0.02 0.47 -0.15 -0.63 0.00 0.00 0.00 174.94 174.65 1ji3 s ILE 110 N 0.76 2.73 0.00 2.92 1.01 -0.45 0.07 121.20 128.24 1ji3 s ILE 110 Ca -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1ji3 s ILE 110 Cb -0.15 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1ji3 s ILE 110 CO 0.02 0.52 -0.00 0.00 0.00 0.00 0.00 174.94 175.47 1ji3 s ALA 111 N 0.73 0.01 0.05 9.38 0.00 -0.40 -1.01 121.76 130.52 1ji3 s ALA 111 Ca -0.07 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1ji3 s ALA 111 Cb -0.15 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ji3 s ALA 111 CO 0.01 -0.02 -0.15 -1.58 0.00 0.00 0.00 175.76 174.03 1ji3 s HIS 112 N -0.18 2.65 0.00 0.00 2.46 -0.54 -1.11 115.29 118.57 1ji3 s HIS 112 Ca -0.02 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.31 1ji3 s HIS 112 Cb -0.01 -1.48 0.00 0.00 -0.13 0.00 0.00 32.58 30.96 1ji3 s HIS 112 CO -0.00 0.31 0.00 -1.13 -2.47 0.00 0.00 174.74 171.45 1ji3 n SER 113 N 1.36 0.00 0.30 9.88 3.41 -0.53 -0.91 113.62 127.13 1ji3 n SER 113 Ca -0.16 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.65 1ji3 n SER 113 Cb 0.52 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.46 1ji3 n SER 113 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ji3 h GLN 114 N 0.00 0.00 -0.38 4.33 4.15 -1.85 -0.69 115.11 120.67 1ji3 h GLN 114 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1ji3 h GLN 114 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1ji3 h GLN 114 CO 0.00 0.00 0.47 0.78 -1.93 0.00 0.00 178.83 178.15 1ji3 h GLY 115 N 0.65 0.00 1.49 2.39 0.00 -0.84 -0.51 103.07 106.25 1ji3 h GLY 115 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1ji3 h GLY 115 CO 0.00 0.00 -0.53 -1.33 0.00 0.00 0.00 176.54 174.68 1ji3 h GLY 116 N 0.00 0.59 0.92 4.60 0.00 -1.27 0.34 103.07 108.25 1ji3 h GLY 116 Ca 0.18 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1ji3 h GLY 116 CO -0.00 0.60 -0.03 1.46 0.00 0.00 0.00 176.54 178.57 1ji3 h GLN 117 N 0.42 0.63 -0.54 4.80 4.20 -1.28 -2.38 115.11 120.96 1ji3 h GLN 117 Ca 0.01 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1ji3 h GLN 117 Cb 1.06 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 1ji3 h GLN 117 CO 0.10 0.77 0.30 1.15 -0.67 0.00 0.00 178.83 180.48 1ji3 h THR 118 N 0.43 1.18 -0.85 -0.54 2.02 -0.87 0.69 112.91 114.97 1ji3 h THR 118 Ca 0.09 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ji3 h THR 118 Cb 0.50 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1ji3 h THR 118 CO 0.02 0.19 0.49 0.00 0.37 0.00 0.00 175.52 176.59 1ji3 h ALA 119 N 1.13 1.09 -0.29 6.16 0.00 -0.29 0.15 119.26 127.21 1ji3 h ALA 119 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ji3 h ALA 119 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ji3 h ALA 119 CO -0.03 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.53 1ji3 h ARG 120 N 1.18 0.59 -0.31 0.00 3.08 -0.85 -1.96 114.38 116.10 1ji3 h ARG 120 Ca 0.30 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1ji3 h ARG 120 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ji3 h ARG 120 CO -0.05 0.80 -0.26 1.98 -1.07 0.00 0.00 179.97 181.37 1ji3 h MET 121 N 0.51 0.72 -0.57 0.04 4.05 0.06 -2.22 114.93 117.52 1ji3 h MET 121 Ca 0.07 -0.36 0.05 0.00 -0.28 0.00 0.00 59.70 59.18 1ji3 h MET 121 Cb 0.73 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.49 1ji3 h MET 121 CO 0.06 0.98 0.29 1.25 0.23 0.00 0.00 176.91 179.72 1ji3 h LEU 122 N 0.48 0.42 -0.74 3.39 5.85 -0.41 -0.17 115.31 124.14 1ji3 h LEU 122 Ca 0.06 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ji3 h LEU 122 Cb 0.82 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1ji3 h LEU 122 CO 0.07 0.28 0.49 0.58 -0.34 0.00 0.00 178.44 179.52 1ji3 h VAL 123 N 0.56 1.19 -0.33 1.05 2.07 -1.23 0.37 116.25 119.93 1ji3 h VAL 123 Ca 0.25 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1ji3 h VAL 123 Cb 0.16 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1ji3 h VAL 123 CO -0.17 0.19 0.06 -1.28 0.02 0.00 0.00 177.57 176.38 1ji3 h SER 124 N 1.00 0.52 -0.41 0.57 0.87 -0.72 -0.78 113.55 114.60 1ji3 h SER 124 Ca 0.27 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1ji3 h SER 124 Cb -0.11 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1ji3 h SER 124 CO -0.06 0.64 0.13 -0.07 -0.53 0.00 0.00 176.83 176.94 1ji3 h LEU 125 N 0.38 0.59 -0.68 2.23 3.38 -0.45 0.15 115.31 120.91 1ji3 h LEU 125 Ca 0.10 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1ji3 h LEU 125 Cb 0.34 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1ji3 h LEU 125 CO 0.01 0.63 0.36 -0.07 0.09 0.00 0.00 178.44 179.46 1ji3 h LEU 126 N 0.51 0.50 0.19 1.67 3.38 -0.07 0.50 115.31 121.99 1ji3 h LEU 126 Ca 0.13 0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.84 1ji3 h LEU 126 Cb 0.25 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ji3 h LEU 126 CO -0.00 0.31 -1.47 -0.08 0.09 0.00 0.00 178.44 177.29 1ji3 h GLU 127 N 0.64 0.40 0.00 1.13 4.81 -0.82 -0.70 114.58 120.04 1ji3 h GLU 127 Ca 0.32 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1ji3 h GLU 127 Cb 0.26 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ji3 h GLU 127 CO -0.22 1.33 -0.98 0.09 -0.73 0.00 0.00 179.01 178.50 1ji3 n ASN 128 N -3.78 0.83 0.00 1.04 3.02 0.51 -1.21 115.26 115.68 1ji3 n ASN 128 Ca -0.21 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1ji3 n ASN 128 Cb 1.02 1.13 0.00 0.00 -0.61 0.00 0.00 39.78 41.31 1ji3 n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ji3 n GLY 129 N 1.42 0.47 2.75 7.41 0.00 0.17 -4.43 105.19 112.98 1ji3 n GLY 129 Ca 0.02 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1ji3 n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ji3 s SER 130 N -4.00 2.91 0.27 1.61 0.15 -0.62 -4.63 113.70 109.39 1ji3 s SER 130 Ca 0.00 -0.81 -0.00 0.00 0.70 0.00 0.00 55.95 55.83 1ji3 s SER 130 Cb 0.00 -0.63 0.58 0.00 -1.71 0.00 0.00 66.02 64.27 1ji3 s SER 130 CO 0.00 -0.30 1.72 -0.61 1.20 0.00 0.00 173.24 175.26 1ji3 h GLN 131 N 8.23 0.46 -0.74 5.44 4.15 -1.83 0.41 115.11 131.23 1ji3 h GLN 131 Ca -0.16 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 1ji3 h GLN 131 Cb 1.12 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1ji3 h GLN 131 CO 0.34 0.30 0.41 1.49 -1.93 0.00 0.00 178.83 179.45 1ji3 h GLU 132 N 0.47 1.02 0.00 1.69 4.81 -1.96 -1.29 114.58 119.33 1ji3 h GLU 132 Ca 0.48 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1ji3 h GLU 132 Cb 0.80 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1ji3 h GLU 132 CO -0.45 0.75 -0.66 0.93 -0.73 0.00 0.00 179.01 178.86 1ji3 h GLU 133 N 1.02 0.00 -0.26 1.92 4.39 -1.40 -2.17 114.58 118.07 1ji3 h GLU 133 Ca 0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ji3 h GLU 133 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1ji3 h GLU 133 CO -0.04 0.66 0.15 0.00 -1.16 0.00 0.00 179.01 178.62 1ji3 h ARG 134 N 0.00 0.36 -0.14 2.33 3.08 -0.50 -2.05 114.38 117.47 1ji3 h ARG 134 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1ji3 h ARG 134 Cb 1.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1ji3 h ARG 134 CO 0.09 0.30 -0.06 0.93 -1.07 0.00 0.00 179.97 180.15 1ji3 h GLU 135 N 0.33 0.28 -0.51 0.04 5.08 -1.12 -2.45 114.58 116.23 1ji3 h GLU 135 Ca 0.09 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1ji3 h GLU 135 Cb 0.03 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1ji3 h GLU 135 CO -0.02 0.61 0.04 -0.92 -1.00 0.00 0.00 179.01 177.73 1ji3 h TYR 136 N -0.05 0.05 -0.60 4.33 5.03 -1.42 0.39 116.97 124.70 1ji3 h TYR 136 Ca 0.03 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1ji3 h TYR 136 Cb 0.53 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.82 1ji3 h TYR 136 CO 0.07 -0.07 0.37 0.00 -1.32 0.00 0.00 178.16 177.20 1ji3 h ALA 137 N 1.43 0.78 -0.15 1.82 0.00 -1.23 0.46 119.26 122.36 1ji3 h ALA 137 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1ji3 h ALA 137 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ji3 h ALA 137 CO -0.39 0.10 -0.23 -0.22 0.00 0.00 0.00 179.25 178.51 1ji3 h LYS 138 N 0.72 0.43 0.00 0.00 3.64 -0.84 -0.33 116.57 120.19 1ji3 h LYS 138 Ca 0.24 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1ji3 h LYS 138 Cb 0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ji3 h LYS 138 CO -0.10 0.84 -0.19 0.00 -2.27 0.00 0.00 179.45 177.73 1ji3 h ALA 139 N 0.58 1.45 -0.23 5.00 0.00 0.30 -2.91 119.26 123.44 1ji3 h ALA 139 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ji3 h ALA 139 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ji3 h ALA 139 CO 0.05 0.24 0.00 0.72 0.00 0.00 0.00 179.25 180.26 1ji3 n HIS 140 N -3.97 0.30 -3.42 0.00 8.25 0.10 -4.98 115.22 111.51 1ji3 n HIS 140 Ca -0.02 -0.25 -0.19 0.00 -0.26 0.00 0.00 57.72 57.00 1ji3 n HIS 140 Cb 0.27 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.45 1ji3 n HIS 140 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ji3 n ASN 141 N 0.79 -3.89 -4.40 0.41 5.15 -0.21 -5.00 115.26 108.11 1ji3 n ASN 141 Ca 0.12 -0.54 -0.21 0.00 -0.60 0.00 0.00 54.58 53.34 1ji3 n ASN 141 Cb 0.41 -4.76 -0.10 0.00 -0.53 0.00 0.00 39.78 34.80 1ji3 n ASN 141 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ji3 s VAL 142 N -3.32 2.09 1.13 3.44 -7.23 -0.76 -5.06 120.40 110.69 1ji3 s VAL 142 Ca 0.25 -2.29 -0.16 0.00 -1.81 0.00 0.00 61.98 57.97 1ji3 s VAL 142 Cb -0.11 -2.16 0.25 0.00 0.56 0.00 0.00 36.38 34.92 1ji3 s VAL 142 CO 0.68 -0.50 1.09 -0.94 -0.31 0.00 0.00 175.10 175.12 1ji3 s SER 143 N -3.38 1.49 -0.04 4.85 1.04 -1.26 -4.74 113.70 111.67 1ji3 s SER 143 Ca 0.26 0.93 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 1ji3 s SER 143 Cb -0.03 -1.41 0.03 0.00 0.10 0.00 0.00 66.02 64.71 1ji3 s SER 143 CO 0.11 -3.80 0.07 -0.22 0.98 0.00 0.00 173.24 170.37 1ji3 s LEU 144 N -6.82 0.74 0.28 2.42 2.96 -1.26 -4.85 118.68 112.15 1ji3 s LEU 144 Ca 0.68 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.42 1ji3 s LEU 144 Cb -0.15 0.03 -0.10 0.00 0.50 0.00 0.00 46.19 46.47 1ji3 s LEU 144 CO 0.57 -0.16 1.37 -0.94 -1.32 0.00 0.00 176.35 175.87 1ji3 s SER 145 N 1.39 6.74 0.64 3.68 1.04 -1.26 -4.88 113.70 121.04 1ji3 s SER 145 Ca -0.06 2.64 0.32 0.00 0.48 0.00 0.00 55.95 59.34 1ji3 s SER 145 Cb -0.12 -2.63 1.76 0.00 0.10 0.00 0.00 66.02 65.12 1ji3 s SER 145 CO -0.04 -0.61 2.03 -0.65 0.98 0.00 0.00 173.24 174.96 1ji3 h PRO 146 N 4.38 0.00 -0.73 4.02 0.11 -2.01 0.04 132.00 137.80 1ji3 h PRO 146 Ca -0.47 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1ji3 h PRO 146 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1ji3 h PRO 146 CO 0.72 0.00 0.48 1.25 -0.21 0.00 0.00 178.00 180.25 1ji3 h LEU 147 N 0.00 0.60 -0.70 2.35 5.85 -1.93 -2.02 115.31 119.45 1ji3 h LEU 147 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ji3 h LEU 147 Cb 0.58 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ji3 h LEU 147 CO -0.00 0.37 -0.16 0.49 -0.34 0.00 0.00 178.44 178.80 1ji3 n PHE 148 N -4.49 0.00 0.06 1.25 3.72 -0.00 -3.96 117.46 114.03 1ji3 n PHE 148 Ca 0.12 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.33 1ji3 n PHE 148 Cb 0.30 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.68 1ji3 n PHE 148 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ji3 h GLU 149 N 1.72 0.62 0.00 -1.08 5.08 -1.42 -1.65 114.58 117.85 1ji3 h GLU 149 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 1ji3 h GLU 149 Cb 0.52 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ji3 h GLU 149 CO 0.00 1.28 0.00 0.41 -1.00 0.00 0.00 179.01 179.70 1ji3 n GLY 150 N 1.10 -0.22 0.68 -3.84 0.00 -1.25 -4.49 105.19 97.18 1ji3 n GLY 150 Ca -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1ji3 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji3 n GLY 151 N -0.08 0.80 3.25 -0.02 0.00 -0.35 -4.85 105.19 103.95 1ji3 n GLY 151 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1ji3 n GLY 151 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ji3 s HIS 152 N -2.00 3.14 -0.97 1.61 3.76 -0.29 -5.01 115.29 115.53 1ji3 s HIS 152 Ca 0.00 -1.40 -0.00 0.00 -0.15 0.00 0.00 55.06 53.51 1ji3 s HIS 152 Cb 0.00 -2.15 0.32 0.00 1.11 0.00 0.00 32.58 31.86 1ji3 s HIS 152 CO 0.00 -0.69 1.73 0.72 -0.85 0.00 0.00 174.74 175.65 1ji3 n HIS 153 N 4.74 2.94 0.24 1.40 8.25 -1.26 -3.66 115.22 127.86 1ji3 n HIS 153 Ca -0.15 -2.72 0.14 0.00 -0.26 0.00 0.00 57.72 54.73 1ji3 n HIS 153 Cb 0.46 -1.11 0.32 0.00 1.12 0.00 0.00 29.99 30.79 1ji3 n HIS 153 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1ji3 h PHE 154 N 4.00 0.00 -3.52 4.41 0.04 -1.93 -3.45 116.94 116.48 1ji3 h PHE 154 Ca 0.49 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.61 1ji3 h PHE 154 Cb 0.33 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 38.23 1ji3 h PHE 154 CO 1.27 0.00 -0.67 0.08 -0.60 0.00 0.00 178.31 178.39 1ji3 s VAL 155 N -3.34 3.84 -0.01 -0.55 1.01 -1.26 -1.93 120.40 118.15 1ji3 s VAL 155 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ji3 s VAL 155 Cb 0.06 -2.78 -0.26 0.00 0.00 0.00 0.00 36.38 33.40 1ji3 s VAL 155 CO 0.63 0.37 0.82 0.25 0.00 0.00 0.00 175.10 177.17 1ji3 h LEU 156 N 8.18 0.29 -7.48 3.92 5.85 -1.25 -3.43 115.31 121.40 1ji3 h LEU 156 Ca -0.40 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 57.81 1ji3 h LEU 156 Cb 1.17 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 1ji3 h LEU 156 CO 0.59 1.37 -0.17 -0.94 -0.34 0.00 0.00 178.44 178.96 1ji3 s SER 157 N -6.82 -0.18 -0.08 1.25 1.04 -1.22 -1.37 113.70 106.33 1ji3 s SER 157 Ca -0.09 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 1ji3 s SER 157 Cb 0.07 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1ji3 s SER 157 CO 0.84 -0.70 -0.01 -0.69 0.98 0.00 0.00 173.24 173.65 1ji3 s VAL 158 N -2.97 0.49 -0.16 5.02 1.01 0.05 -0.95 120.40 122.89 1ji3 s VAL 158 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1ji3 s VAL 158 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1ji3 s VAL 158 CO -0.06 0.28 -0.07 -0.89 0.00 0.00 0.00 175.10 174.36 1ji3 s THR 159 N 1.90 3.49 0.00 3.92 2.01 0.11 -0.72 115.64 126.35 1ji3 s THR 159 Ca 0.05 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1ji3 s THR 159 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1ji3 s THR 159 CO -0.06 0.49 -0.06 0.42 -0.69 0.00 0.00 174.62 174.73 1ji3 s THR 160 N 0.58 3.73 -0.17 -0.82 -4.23 0.23 -1.28 115.64 113.69 1ji3 s THR 160 Ca -0.05 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1ji3 s THR 160 Cb -0.15 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.11 1ji3 s THR 160 CO 0.03 0.39 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.83 1ji3 s ILE 161 N -1.01 1.06 -1.43 2.99 1.01 -0.26 0.94 121.20 124.50 1ji3 s ILE 161 Ca 0.17 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1ji3 s ILE 161 Cb -0.11 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1ji3 s ILE 161 CO 0.08 0.10 0.44 0.00 0.00 0.00 0.00 174.94 175.56 1ji3 n ALA 162 N 4.89 -0.95 -2.20 9.38 0.00 -0.51 -1.45 120.51 129.67 1ji3 n ALA 162 Ca -0.12 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1ji3 n ALA 162 Cb 0.48 -3.09 -0.05 0.00 0.00 0.00 0.00 19.45 16.78 1ji3 n ALA 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ji3 s THR 163 N -3.02 4.55 -1.37 0.00 2.01 -1.26 -3.81 115.64 112.75 1ji3 s THR 163 Ca 0.27 1.70 -0.14 0.00 0.31 0.00 0.00 61.69 63.83 1ji3 s THR 163 Cb -0.13 -4.14 0.08 0.00 0.01 0.00 0.00 72.50 68.31 1ji3 s THR 163 CO 0.33 0.43 1.99 -0.81 -0.69 0.00 0.00 174.62 175.87 1ji3 n PRO 164 N 2.26 3.11 0.24 4.92 -0.04 -1.26 -3.70 135.00 140.53 1ji3 n PRO 164 Ca -0.03 -3.03 0.06 0.00 -0.04 0.00 0.00 63.50 60.46 1ji3 n PRO 164 Cb 0.49 -3.26 0.55 0.00 -0.04 0.00 0.00 33.50 31.25 1ji3 n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ji3 h HIS 165 N 6.42 0.00 -0.26 0.54 3.86 -1.60 -0.54 115.15 123.56 1ji3 h HIS 165 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1ji3 h HIS 165 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1ji3 h HIS 165 CO 1.39 0.13 0.00 -0.25 0.86 0.00 0.00 177.93 180.06 1ji3 n ASP 166 N -4.36 3.73 0.00 2.45 8.00 -1.22 -4.68 116.55 120.48 1ji3 n ASP 166 Ca -0.03 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.58 1ji3 n ASP 166 Cb 0.20 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1ji3 n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ji3 n GLY 167 N -0.41 -0.37 2.94 0.44 0.00 -0.21 -4.42 105.19 103.14 1ji3 n GLY 167 Ca 0.20 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 1ji3 n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji3 s THR 168 N -1.11 0.27 -1.00 2.61 -1.32 -0.21 -4.68 115.64 110.21 1ji3 s THR 168 Ca 0.00 -0.22 0.18 0.00 -1.21 0.00 0.00 61.69 60.43 1ji3 s THR 168 Cb 0.00 -0.25 0.15 0.00 -1.51 0.00 0.00 72.50 70.89 1ji3 s THR 168 CO 0.00 0.03 1.57 0.35 -2.21 0.00 0.00 174.62 174.35 1ji3 n THR 169 N 2.86 0.78 -0.17 5.08 -2.24 -1.26 -3.12 114.28 116.21 1ji3 n THR 169 Ca -0.14 0.20 0.25 0.00 -2.27 0.00 0.00 64.05 62.09 1ji3 n THR 169 Cb 0.58 -0.89 0.66 0.00 -2.10 0.00 0.00 70.33 68.58 1ji3 n THR 169 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ji3 h LEU 170 N 0.00 0.11 -0.88 3.22 6.46 -1.95 0.22 115.31 122.50 1ji3 h LEU 170 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ji3 h LEU 170 Cb 0.30 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1ji3 h LEU 170 CO 0.00 0.04 0.00 0.58 -0.62 0.00 0.00 178.44 178.44 1ji3 h VAL 171 N 0.11 0.00 -0.01 1.05 2.07 -1.90 -2.61 116.25 114.97 1ji3 h VAL 171 Ca 0.41 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1ji3 h VAL 171 Cb 1.47 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1ji3 h VAL 171 CO -0.05 0.00 -0.23 0.59 0.02 0.00 0.00 177.57 177.89 1ji3 n ASN 172 N -2.34 0.86 -4.74 0.57 3.02 0.76 -4.83 115.26 108.56 1ji3 n ASN 172 Ca 0.02 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.40 1ji3 n ASN 172 Cb 0.22 0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.49 1ji3 n ASN 172 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ji3 n MET 173 N -0.77 2.11 -0.19 3.52 2.81 -0.99 -4.93 117.12 118.68 1ji3 n MET 173 Ca 0.12 0.75 -0.02 0.00 -1.81 0.00 0.00 57.70 56.74 1ji3 n MET 173 Cb 0.33 -2.55 0.08 0.00 -0.71 0.00 0.00 33.22 30.37 1ji3 n MET 173 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ji3 h VAL 174 N 2.16 0.87 -1.43 2.03 2.07 -1.91 -2.25 116.25 117.80 1ji3 h VAL 174 Ca -0.50 -0.16 -0.65 0.00 0.82 0.00 0.00 66.70 66.21 1ji3 h VAL 174 Cb 1.28 0.36 -0.36 0.00 -1.52 0.00 0.00 31.29 31.05 1ji3 h VAL 174 CO 0.60 0.09 0.05 0.47 0.02 0.00 0.00 177.57 178.80 1ji3 n ASP 175 N -4.93 6.08 -0.27 0.57 8.00 -1.26 -4.72 116.55 120.03 1ji3 n ASP 175 Ca 0.07 -3.77 0.04 0.00 0.71 0.00 0.00 54.79 51.84 1ji3 n ASP 175 Cb 0.20 -0.70 0.18 0.00 -0.02 0.00 0.00 41.12 40.78 1ji3 n ASP 175 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ji3 h PHE 176 N 2.53 0.68 -0.10 1.24 3.57 -1.72 -0.53 116.94 122.61 1ji3 h PHE 176 Ca 0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1ji3 h PHE 176 Cb 0.76 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1ji3 h PHE 176 CO 1.03 0.20 0.06 1.79 -2.23 0.00 0.00 178.31 179.16 1ji3 h THR 177 N 0.60 1.02 -0.71 4.41 1.35 -1.86 0.56 112.91 118.29 1ji3 h THR 177 Ca 0.41 -0.04 -0.06 0.00 -0.55 0.00 0.00 66.41 66.17 1ji3 h THR 177 Cb 0.51 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 1ji3 h THR 177 CO -0.32 0.02 0.22 0.44 -0.25 0.00 0.00 175.52 175.63 1ji3 h ASP 178 N 0.13 1.03 0.23 5.36 3.32 -1.86 -2.85 116.42 121.78 1ji3 h ASP 178 Ca 0.04 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1ji3 h ASP 178 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1ji3 h ASP 178 CO -0.01 0.97 -0.61 0.03 -1.72 0.00 0.00 179.24 177.90 1ji3 h ARG 179 N 1.04 0.37 -0.77 3.56 -0.00 -0.56 -2.11 114.38 115.91 1ji3 h ARG 179 Ca 0.23 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 1ji3 h ARG 179 Cb 0.31 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.28 1ji3 h ARG 179 CO -0.01 0.86 0.42 0.35 0.00 0.00 0.00 179.97 181.59 1ji3 h PHE 180 N 0.28 1.06 0.00 3.04 3.57 0.25 0.38 116.94 125.51 1ji3 h PHE 180 Ca -0.01 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 1ji3 h PHE 180 Cb 1.13 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1ji3 h PHE 180 CO 0.03 0.74 -0.75 0.74 -2.23 0.00 0.00 178.31 176.84 1ji3 h PHE 181 N 1.08 0.00 -0.74 0.41 0.04 -1.32 -2.24 116.94 114.17 1ji3 h PHE 181 Ca 0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1ji3 h PHE 181 Cb 0.03 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 1ji3 h PHE 181 CO 0.01 0.75 0.42 -0.44 -0.60 0.00 0.00 178.31 178.45 1ji3 h ASP 182 N 0.00 0.90 -0.67 2.17 3.32 -0.78 -0.03 116.42 121.33 1ji3 h ASP 182 Ca -0.01 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.06 1ji3 h ASP 182 Cb 1.35 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 1ji3 h ASP 182 CO 0.10 0.72 0.29 0.25 -1.72 0.00 0.00 179.24 178.88 1ji3 h LEU 183 N 1.01 0.34 -0.76 1.55 5.85 -0.43 0.47 115.31 123.34 1ji3 h LEU 183 Ca 0.26 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1ji3 h LEU 183 Cb -0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ji3 h LEU 183 CO -0.05 0.19 0.32 1.56 -0.34 0.00 0.00 178.44 180.12 1ji3 h GLN 184 N 0.50 1.13 -0.67 1.25 1.08 -0.91 -1.17 115.11 116.32 1ji3 h GLN 184 Ca 0.34 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1ji3 h GLN 184 Cb 0.40 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1ji3 h GLN 184 CO -0.30 0.92 0.32 0.87 -0.95 0.00 0.00 178.83 179.69 1ji3 h LYS 185 N 1.10 0.96 -0.49 1.46 1.57 1.00 -1.17 116.57 121.00 1ji3 h LYS 185 Ca 0.26 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1ji3 h LYS 185 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ji3 h LYS 185 CO -0.02 0.74 -0.19 0.00 -0.57 0.00 0.00 179.45 179.41 1ji3 h ALA 186 N 1.40 0.68 -0.40 3.86 0.00 0.90 -1.62 119.26 124.07 1ji3 h ALA 186 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ji3 h ALA 186 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ji3 h ALA 186 CO -0.03 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.26 1ji3 h VAL 187 N 0.86 1.18 -0.56 0.00 2.07 -0.85 -0.07 116.25 118.88 1ji3 h VAL 187 Ca 0.11 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ji3 h VAL 187 Cb 0.77 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1ji3 h VAL 187 CO 0.06 0.23 0.33 -0.07 0.02 0.00 0.00 177.57 178.14 1ji3 h LEU 188 N 0.58 0.68 -0.80 2.57 3.38 -0.76 -2.69 115.31 118.26 1ji3 h LEU 188 Ca 0.13 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1ji3 h LEU 188 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ji3 h LEU 188 CO -0.00 0.55 -0.54 -0.08 0.09 0.00 0.00 178.44 178.46 1ji3 h GLU 189 N 0.75 0.00 -0.08 1.13 4.81 -0.52 0.26 114.58 120.93 1ji3 h GLU 189 Ca 0.20 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1ji3 h GLU 189 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ji3 h GLU 189 CO -0.04 0.54 0.06 0.00 -0.73 0.00 0.00 179.01 178.84 1ji3 h ALA 190 N 1.46 1.99 -0.53 2.92 0.00 -0.72 0.20 119.26 124.58 1ji3 h ALA 190 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ji3 h ALA 190 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ji3 h ALA 190 CO 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ji3 n ALA 191 N -2.51 3.02 -1.53 0.00 0.00 0.70 -4.91 120.51 115.29 1ji3 n ALA 191 Ca -0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 53.44 52.03 1ji3 n ALA 191 Cb 0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1ji3 n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ji3 n ALA 192 N 0.87 -0.21 -2.75 0.00 0.00 0.69 -4.97 120.51 114.14 1ji3 n ALA 192 Ca 0.21 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1ji3 n ALA 192 Cb 0.76 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1ji3 n ALA 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ji3 s VAL 193 N -2.44 5.32 0.43 0.00 1.01 0.04 -4.95 120.40 119.81 1ji3 s VAL 193 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1ji3 s VAL 193 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1ji3 s VAL 193 CO 0.00 0.46 0.78 0.00 0.00 0.00 0.00 175.10 176.34 1ji3 s ALA 194 N 0.25 3.35 -2.13 5.51 0.00 -1.26 -3.29 121.76 124.19 1ji3 s ALA 194 Ca 0.08 -0.27 0.23 0.00 0.00 0.00 0.00 51.96 52.00 1ji3 s ALA 194 Cb -0.11 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.34 1ji3 s ALA 194 CO -0.01 -0.11 1.11 -1.13 0.00 0.00 0.00 175.76 175.62 1ji3 n SER 195 N -1.56 2.12 -1.11 0.00 3.41 -1.26 -4.11 113.62 111.10 1ji3 n SER 195 Ca 0.02 -1.56 0.08 0.00 -0.26 0.00 0.00 58.87 57.15 1ji3 n SER 195 Cb 0.54 0.43 0.29 0.00 -0.26 0.00 0.00 64.21 65.21 1ji3 n SER 195 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ji3 n ASN 196 N 0.10 4.22 -4.36 4.04 6.94 -1.26 -1.06 115.26 123.89 1ji3 n ASN 196 Ca 0.10 -3.03 -0.33 0.00 -0.02 0.00 0.00 54.58 51.30 1ji3 n ASN 196 Cb 0.48 -0.58 -0.15 0.00 -2.36 0.00 0.00 39.78 37.17 1ji3 n ASN 196 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ji3 s VAL 197 N -2.84 2.84 -1.20 3.53 1.01 -1.26 -4.95 120.40 117.52 1ji3 s VAL 197 Ca 0.45 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1ji3 s VAL 197 Cb 0.36 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1ji3 s VAL 197 CO 0.10 0.54 2.28 -0.81 0.00 0.00 0.00 175.10 177.22 1ji3 n PRO 198 N 3.29 2.52 -1.66 2.72 -0.04 -1.26 -4.41 135.00 136.16 1ji3 n PRO 198 Ca -0.18 -2.08 -0.47 0.00 -0.04 0.00 0.00 63.50 60.73 1ji3 n PRO 198 Cb 0.53 -2.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.03 1ji3 n PRO 198 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ji3 n TYR 199 N 5.54 2.15 0.09 0.54 4.01 -1.26 -3.90 117.16 124.32 1ji3 n TYR 199 Ca 0.56 0.32 -0.05 0.00 -0.16 0.00 0.00 57.90 58.56 1ji3 n TYR 199 Cb 0.31 -2.51 0.10 0.00 -0.31 0.00 0.00 39.34 36.92 1ji3 n TYR 199 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1ji3 h THR 200 N 3.70 1.42 -3.03 -0.72 2.02 -1.93 -2.82 112.91 111.55 1ji3 h THR 200 Ca -0.46 -2.16 -0.48 0.00 0.77 0.00 0.00 66.41 64.09 1ji3 h THR 200 Cb 1.27 2.13 0.01 0.00 -1.74 0.00 0.00 68.15 69.83 1ji3 h THR 200 CO 0.87 0.63 -0.11 -0.94 0.37 0.00 0.00 175.52 176.35 1ji3 s SER 201 N -6.89 6.30 0.11 4.18 1.04 -1.26 -4.68 113.70 112.49 1ji3 s SER 201 Ca -0.03 0.59 -0.24 0.00 0.48 0.00 0.00 55.95 56.75 1ji3 s SER 201 Cb 0.12 -2.09 -0.09 0.00 0.10 0.00 0.00 66.02 64.05 1ji3 s SER 201 CO 0.80 -0.36 1.69 1.56 0.98 0.00 0.00 173.24 177.91 1ji3 h GLN 202 N 0.68 -0.18 0.00 4.02 4.20 -2.00 -3.46 115.11 118.37 1ji3 h GLN 202 Ca -0.49 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1ji3 h GLN 202 Cb 1.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ji3 h GLN 202 CO 0.62 -0.12 0.00 1.55 -0.67 0.00 0.00 178.83 180.21 1ji3 n VAL 203 N -5.23 0.00 -3.35 -0.54 3.14 -1.26 -4.51 118.33 106.59 1ji3 n VAL 203 Ca -0.06 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.20 1ji3 n VAL 203 Cb 0.15 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.86 1ji3 n VAL 203 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1ji3 s TYR 204 N 0.00 -0.79 -0.24 1.45 5.04 -1.26 0.15 117.35 121.70 1ji3 s TYR 204 Ca 0.00 0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.73 1ji3 s TYR 204 Cb 0.00 -0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.05 1ji3 s TYR 204 CO 0.00 -0.91 0.39 0.34 -1.34 0.00 0.00 175.55 174.03 1ji3 s ASP 205 N 2.48 6.35 0.05 4.32 -1.08 -1.26 -4.96 116.67 122.56 1ji3 s ASP 205 Ca 0.10 0.40 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 1ji3 s ASP 205 Cb -0.13 -2.22 0.99 0.00 -1.46 0.00 0.00 42.92 40.10 1ji3 s ASP 205 CO -0.28 -0.13 1.77 0.49 0.52 0.00 0.00 175.17 177.54 1ji3 n PHE 206 N 4.90 0.19 -3.47 -5.34 3.01 -1.26 -4.88 117.46 110.60 1ji3 n PHE 206 Ca -0.08 0.06 -0.20 0.00 1.01 0.00 0.00 57.45 58.23 1ji3 n PHE 206 Cb 0.51 -0.60 0.08 0.00 -0.01 0.00 0.00 39.48 39.46 1ji3 n PHE 206 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ji3 n LYS 207 N -1.66 -7.11 -1.05 -1.08 5.02 -1.26 -4.12 118.16 106.89 1ji3 n LYS 207 Ca 0.05 0.79 -0.19 0.00 -2.02 0.00 0.00 58.31 56.94 1ji3 n LYS 207 Cb 0.30 -5.68 0.17 0.00 -0.02 0.00 0.00 35.03 29.80 1ji3 n LYS 207 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ji3 n LEU 208 N -4.49 6.18 -0.34 -0.35 4.77 -1.26 -4.64 117.00 116.86 1ji3 n LEU 208 Ca -0.08 -3.28 0.09 0.00 -0.03 0.00 0.00 56.01 52.71 1ji3 n LEU 208 Cb 0.59 -0.79 0.27 0.00 -2.33 0.00 0.00 43.42 41.16 1ji3 n LEU 208 CO 0.60 0.95 1.19 0.44 -1.33 0.00 0.00 177.39 179.23 1ji3 h ASP 209 N 1.09 0.79 -0.82 -1.43 3.32 -1.91 -1.77 116.42 115.69 1ji3 h ASP 209 Ca 0.51 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.80 1ji3 h ASP 209 Cb 2.57 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 41.99 1ji3 h ASP 209 CO 0.92 0.35 0.54 1.56 -1.72 0.00 0.00 179.24 180.89 1ji3 h GLN 210 N 0.83 0.48 -0.09 3.56 7.50 -1.87 0.24 115.11 125.76 1ji3 h GLN 210 Ca 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.64 1ji3 h GLN 210 Cb 0.68 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1ji3 h GLN 210 CO -0.33 0.31 0.00 0.91 -1.50 0.00 0.00 178.83 178.22 1ji3 n TRP 211 N -4.51 0.08 -2.08 2.96 7.02 -0.79 -1.01 117.44 119.12 1ji3 n TRP 211 Ca 0.16 -0.04 -0.14 0.00 -1.02 0.00 0.00 57.50 56.46 1ji3 n TRP 211 Cb 0.54 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.42 1ji3 n TRP 211 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ji3 n GLY 212 N 1.30 0.14 3.53 6.99 0.00 0.83 -5.00 105.19 112.98 1ji3 n GLY 212 Ca 0.16 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1ji3 n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ji3 s LEU 213 N -3.76 2.97 -0.10 0.99 1.43 -0.74 -5.00 118.68 114.47 1ji3 s LEU 213 Ca 0.00 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1ji3 s LEU 213 Cb 0.00 -1.63 0.09 0.00 0.03 0.00 0.00 46.19 44.68 1ji3 s LEU 213 CO 0.00 0.34 0.81 0.00 0.23 0.00 0.00 176.35 177.73 1ji3 s ARG 214 N -0.69 0.87 0.26 1.70 1.70 -1.26 -4.11 118.95 117.42 1ji3 s ARG 214 Ca 0.10 0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 55.29 1ji3 s ARG 214 Cb -0.11 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 1ji3 s ARG 214 CO 0.01 -0.27 1.15 0.50 -1.08 0.00 0.00 175.30 175.61 1ji3 s ARG 215 N -1.15 4.57 0.02 3.89 3.52 -1.26 -5.01 118.95 123.53 1ji3 s ARG 215 Ca -0.07 1.87 -0.28 0.00 -0.13 0.00 0.00 55.73 57.13 1ji3 s ARG 215 Cb -0.00 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1ji3 s ARG 215 CO 0.07 0.09 0.87 -0.65 -0.81 0.00 0.00 175.30 174.87 1ji3 s GLN 216 N -1.21 4.55 0.26 5.12 -0.21 -1.26 -4.98 119.66 121.93 1ji3 s GLN 216 Ca 0.47 1.24 -0.30 0.00 0.02 0.00 0.00 55.36 56.79 1ji3 s GLN 216 Cb -0.33 -3.42 -0.14 0.00 1.00 0.00 0.00 33.01 30.12 1ji3 s GLN 216 CO 0.42 0.09 1.27 -2.30 -2.12 0.00 0.00 175.29 172.65 1ji3 n PRO 217 N 3.43 1.79 -0.84 2.91 -0.02 -1.26 0.15 135.00 141.16 1ji3 n PRO 217 Ca 0.02 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ji3 n PRO 217 Cb 0.51 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1ji3 n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ji3 n GLY 218 N 1.68 0.85 3.74 -1.23 0.00 -1.06 -4.97 105.19 104.18 1ji3 n GLY 218 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1ji3 n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ji3 s GLU 219 N -0.16 4.23 0.95 1.61 2.12 0.12 -4.59 118.70 122.99 1ji3 s GLU 219 Ca 0.00 0.18 -0.12 0.00 0.36 0.00 0.00 54.97 55.39 1ji3 s GLU 219 Cb 0.00 -3.41 0.16 0.00 0.26 0.00 0.00 34.13 31.14 1ji3 s GLU 219 CO 0.00 0.26 1.09 -1.54 -0.54 0.00 0.00 175.26 174.53 1ji3 s SER 220 N 0.38 3.04 0.21 -1.70 1.04 -1.26 -4.41 113.70 110.99 1ji3 s SER 220 Ca 0.19 1.40 0.03 0.00 0.48 0.00 0.00 55.95 58.05 1ji3 s SER 220 Cb -0.14 -2.08 0.16 0.00 0.10 0.00 0.00 66.02 64.07 1ji3 s SER 220 CO 0.06 -2.90 1.50 -0.26 0.98 0.00 0.00 173.24 172.61 1ji3 h PHE 221 N -1.73 0.33 -0.16 5.02 0.04 -1.71 -1.81 116.94 116.91 1ji3 h PHE 221 Ca -0.52 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.16 1ji3 h PHE 221 Cb 1.30 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 39.35 1ji3 h PHE 221 CO 0.37 0.85 -0.15 -0.44 -0.60 0.00 0.00 178.31 178.34 1ji3 h ASP 222 N 0.17 -0.47 -0.42 2.17 3.32 -1.46 0.25 116.42 119.98 1ji3 h ASP 222 Ca -0.02 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1ji3 h ASP 222 Cb 1.23 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1ji3 h ASP 222 CO 0.11 -0.19 -0.03 -0.74 -1.72 0.00 0.00 179.24 176.67 1ji3 h HIS 223 N -0.17 0.84 -0.02 4.55 2.76 -1.81 -1.74 115.15 119.57 1ji3 h HIS 223 Ca 0.11 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1ji3 h HIS 223 Cb 0.32 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1ji3 h HIS 223 CO -0.28 0.84 -0.03 -0.92 -1.30 0.00 0.00 177.93 176.24 1ji3 h TYR 224 N 0.59 -0.07 -0.44 5.26 3.20 -0.98 -1.55 116.97 122.97 1ji3 h TYR 224 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1ji3 h TYR 224 Cb 0.53 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1ji3 h TYR 224 CO 0.04 -0.05 0.24 0.74 -1.64 0.00 0.00 178.16 177.49 1ji3 h PHE 225 N -0.05 0.59 -0.99 -3.82 0.04 -0.36 0.16 116.94 112.51 1ji3 h PHE 225 Ca 0.02 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1ji3 h PHE 225 Cb 0.07 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 1ji3 h PHE 225 CO -0.11 0.42 0.66 0.93 -0.60 0.00 0.00 178.31 179.60 1ji3 h GLU 226 N 0.61 1.30 -0.07 1.51 3.07 -0.37 -1.03 114.58 119.61 1ji3 h GLU 226 Ca 0.16 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1ji3 h GLU 226 Cb 0.03 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 1ji3 h GLU 226 CO -0.03 0.86 -0.63 0.00 -1.40 0.00 0.00 179.01 177.82 1ji3 h ARG 227 N 1.34 0.27 -0.59 2.33 3.08 -0.24 -3.15 114.38 117.42 1ji3 h ARG 227 Ca 0.36 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1ji3 h ARG 227 Cb -0.15 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ji3 h ARG 227 CO -0.08 0.81 0.00 -0.07 -1.07 0.00 0.00 179.97 179.57 1ji3 h LEU 228 N 0.20 1.00 -1.99 3.04 3.38 0.26 -2.10 115.31 119.09 1ji3 h LEU 228 Ca -0.01 -0.27 0.20 0.00 0.09 0.00 0.00 57.88 57.88 1ji3 h LEU 228 Cb 1.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1ji3 h LEU 228 CO 0.10 1.04 0.49 0.11 0.09 0.00 0.00 178.44 180.27 1ji3 h LYS 229 N 0.94 0.01 -0.60 1.13 1.57 -1.19 -0.28 116.57 118.14 1ji3 h LYS 229 Ca 0.17 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ji3 h LYS 229 Cb 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1ji3 h LYS 229 CO 0.03 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 179.45 1ji3 n ARG 230 N -4.34 2.82 -3.65 3.15 1.74 -0.81 -4.72 116.66 110.84 1ji3 n ARG 230 Ca 0.13 -2.48 -0.20 0.00 -0.77 0.00 0.00 57.85 54.54 1ji3 n ARG 230 Cb 0.75 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1ji3 n ARG 230 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ji3 s SER 231 N -1.00 5.45 0.49 0.55 1.04 -0.12 -4.94 113.70 115.17 1ji3 s SER 231 Ca 0.41 -0.45 0.28 0.00 0.48 0.00 0.00 55.95 56.67 1ji3 s SER 231 Cb 0.21 -0.97 1.50 0.00 0.10 0.00 0.00 66.02 66.86 1ji3 s SER 231 CO 0.27 -0.43 1.82 -0.65 0.98 0.00 0.00 173.24 175.23 1ji3 h PRO 232 N 1.10 0.00 0.00 4.02 0.11 -1.92 0.23 132.00 135.54 1ji3 h PRO 232 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ji3 h PRO 232 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ji3 h PRO 232 CO 0.56 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 178.37 1ji3 n VAL 233 N -2.56 0.38 -0.02 3.15 0.31 -1.26 -1.28 118.33 117.05 1ji3 n VAL 233 Ca -0.02 -0.22 0.06 0.00 -0.01 0.00 0.00 64.34 64.15 1ji3 n VAL 233 Cb 0.18 -0.34 -0.13 0.00 -0.91 0.00 0.00 33.84 32.64 1ji3 n VAL 233 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1ji3 n TRP 234 N -2.05 0.00 0.42 3.52 -0.00 -0.09 -4.66 117.44 114.59 1ji3 n TRP 234 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.60 1ji3 n TRP 234 Cb 0.41 -0.46 -0.06 0.00 -0.00 0.00 0.00 31.31 31.21 1ji3 n TRP 234 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1ji3 n THR 235 N -2.18 0.00 -2.73 5.87 -2.24 -0.30 -4.98 114.28 107.72 1ji3 n THR 235 Ca -0.07 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1ji3 n THR 235 Cb 0.54 0.93 0.07 0.00 -2.10 0.00 0.00 70.33 69.76 1ji3 n THR 235 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ji3 s SER 236 N -2.05 4.91 0.31 3.42 1.04 -0.41 -4.99 113.70 115.93 1ji3 s SER 236 Ca 0.03 -0.35 0.25 0.00 0.48 0.00 0.00 55.95 56.36 1ji3 s SER 236 Cb 0.07 -0.29 0.68 0.00 0.10 0.00 0.00 66.02 66.59 1ji3 s SER 236 CO 0.41 -1.43 1.72 0.71 0.98 0.00 0.00 173.24 175.63 1ji3 h THR 237 N -0.09 0.00 -0.32 2.02 1.35 -1.95 -3.37 112.91 110.55 1ji3 h THR 237 Ca -0.37 -0.65 -0.69 0.00 -0.55 0.00 0.00 66.41 64.15 1ji3 h THR 237 Cb 1.28 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 1ji3 h THR 237 CO 0.44 0.00 3.45 -0.67 -0.25 0.00 0.00 175.52 178.49 1ji3 n ASP 238 N -2.59 8.57 -3.94 5.36 2.03 -1.26 -4.72 116.55 119.99 1ji3 n ASP 238 Ca 0.05 -2.73 -0.09 0.00 0.52 0.00 0.00 54.79 52.53 1ji3 n ASP 238 Cb 0.45 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 1ji3 n ASP 238 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ji3 s THR 239 N 1.23 0.08 0.23 5.18 -4.23 -1.26 -3.77 115.64 113.10 1ji3 s THR 239 Ca 0.66 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.74 1ji3 s THR 239 Cb 0.18 -1.75 0.22 0.00 1.34 0.00 0.00 72.50 72.49 1ji3 s THR 239 CO -0.07 -0.36 1.88 0.00 -0.54 0.00 0.00 174.62 175.52 1ji3 h ALA 240 N 2.59 1.16 -0.81 3.99 0.00 -0.32 -2.79 119.26 123.08 1ji3 h ALA 240 Ca -0.32 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1ji3 h ALA 240 Cb 1.22 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1ji3 h ALA 240 CO 0.50 0.63 0.48 -0.09 0.00 0.00 0.00 179.25 180.76 1ji3 h ARG 241 N 1.26 0.81 -0.22 0.00 2.43 -1.85 0.76 114.38 117.57 1ji3 h ARG 241 Ca 0.33 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.26 1ji3 h ARG 241 Cb -0.05 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1ji3 h ARG 241 CO -0.06 0.54 -0.63 -0.92 -1.51 0.00 0.00 179.97 177.39 1ji3 h TYR 242 N 0.84 0.98 0.00 2.20 3.20 -1.79 -2.96 116.97 119.43 1ji3 h TYR 242 Ca 0.37 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ji3 h TYR 242 Cb 0.27 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ji3 h TYR 242 CO -0.05 1.19 0.00 -0.44 -1.64 0.00 0.00 178.16 177.21 1ji3 h ASP 243 N 0.56 0.00 0.72 -2.11 3.32 -1.13 -2.69 116.42 115.09 1ji3 h ASP 243 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ji3 h ASP 243 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ji3 h ASP 243 CO 0.13 0.00 -0.28 0.00 -1.72 0.00 0.00 179.24 177.37 1ji3 n LEU 244 N -3.07 0.28 -4.80 1.55 -0.00 0.20 -3.30 117.00 107.85 1ji3 n LEU 244 Ca 0.01 0.22 -0.31 0.00 -0.00 0.00 0.00 56.01 55.93 1ji3 n LEU 244 Cb 0.31 -0.36 0.07 0.00 -0.00 0.00 0.00 43.42 43.44 1ji3 n LEU 244 CO 0.27 0.07 0.71 -0.94 -0.00 0.00 0.00 177.39 177.50 1ji3 s SER 245 N -3.00 4.86 0.07 1.45 1.04 -1.01 -1.04 113.70 116.06 1ji3 s SER 245 Ca 0.12 1.52 -0.24 0.00 0.48 0.00 0.00 55.95 57.83 1ji3 s SER 245 Cb 0.18 -2.32 -0.16 0.00 0.10 0.00 0.00 66.02 63.82 1ji3 s SER 245 CO 0.62 -1.77 1.63 0.58 0.98 0.00 0.00 173.24 175.29 1ji3 h VAL 246 N -0.94 0.99 -0.25 5.02 2.07 -1.78 0.41 116.25 121.77 1ji3 h VAL 246 Ca -0.45 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.70 1ji3 h VAL 246 Cb 1.24 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ji3 h VAL 246 CO 0.57 0.05 -0.48 0.77 0.02 0.00 0.00 177.57 178.50 1ji3 h SER 247 N -0.20 0.72 -0.67 0.57 4.64 -1.89 -0.70 113.55 116.02 1ji3 h SER 247 Ca -0.01 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 1ji3 h SER 247 Cb 0.17 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1ji3 h SER 247 CO 0.02 1.08 0.28 1.23 -0.87 0.00 0.00 176.83 178.57 1ji3 h GLY 248 N 0.97 1.07 1.26 -0.77 0.00 -1.60 -0.16 103.07 103.84 1ji3 h GLY 248 Ca 0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1ji3 h GLY 248 CO 0.10 0.54 -0.08 0.00 0.00 0.00 0.00 176.54 177.10 1ji3 h ALA 249 N 1.12 0.93 -0.79 3.60 0.00 0.06 -1.47 119.26 122.71 1ji3 h ALA 249 Ca 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ji3 h ALA 249 Cb 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1ji3 h ALA 249 CO -0.02 0.63 0.36 1.49 0.00 0.00 0.00 179.25 181.70 1ji3 h GLU 250 N 0.80 1.16 -0.67 0.00 4.81 -0.72 -0.29 114.58 119.67 1ji3 h GLU 250 Ca 0.14 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1ji3 h GLU 250 Cb 0.59 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1ji3 h GLU 250 CO 0.04 0.91 0.35 0.87 -0.73 0.00 0.00 179.01 180.45 1ji3 h LYS 251 N 1.13 0.94 -0.70 1.92 1.57 -0.46 -0.92 116.57 120.05 1ji3 h LYS 251 Ca 0.27 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1ji3 h LYS 251 Cb 0.15 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1ji3 h LYS 251 CO -0.03 0.72 0.30 1.25 -0.57 0.00 0.00 179.45 181.13 1ji3 h LEU 252 N 0.91 0.95 -1.90 2.94 6.46 -0.87 -1.43 115.31 122.38 1ji3 h LEU 252 Ca 0.23 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1ji3 h LEU 252 Cb 0.07 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1ji3 h LEU 252 CO -0.03 0.84 -0.05 0.78 -0.62 0.00 0.00 178.44 179.36 1ji3 h ASN 253 N 0.99 0.00 1.15 1.25 2.35 -0.39 0.17 115.58 121.11 1ji3 h ASN 253 Ca 0.24 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1ji3 h ASN 253 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1ji3 h ASN 253 CO -0.02 0.05 -0.17 1.56 -1.65 0.00 0.00 177.43 177.20 1ji3 h GLN 254 N 0.00 0.00 0.00 0.81 4.20 -0.05 -3.35 115.11 116.73 1ji3 h GLN 254 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ji3 h GLN 254 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ji3 h GLN 254 CO 0.01 0.17 -0.54 -2.67 -0.67 0.00 0.00 178.83 175.12 1ji3 n TRP 255 N -3.26 0.00 -3.04 2.96 4.27 -0.42 -4.92 117.44 113.03 1ji3 n TRP 255 Ca 0.01 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.18 1ji3 n TRP 255 Cb 0.44 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.35 1ji3 n TRP 255 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1ji3 s VAL 256 N -1.51 4.68 0.27 -1.67 1.01 0.48 -5.03 120.40 118.63 1ji3 s VAL 256 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1ji3 s VAL 256 Cb 0.00 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1ji3 s VAL 256 CO 0.00 -1.13 0.40 -1.10 0.00 0.00 0.00 175.10 173.28 1ji3 s GLN 257 N 3.10 3.43 0.07 2.72 -0.21 -1.26 -4.74 119.66 122.76 1ji3 s GLN 257 Ca 0.16 -0.69 -0.31 0.00 0.02 0.00 0.00 55.36 54.54 1ji3 s GLN 257 Cb -0.20 -2.84 -0.07 0.00 1.00 0.00 0.00 33.01 30.90 1ji3 s GLN 257 CO 0.10 0.36 1.32 0.00 -2.12 0.00 0.00 175.29 174.94 1ji3 s ALA 258 N -2.06 3.52 0.13 6.09 0.00 -1.26 -4.77 121.76 123.41 1ji3 s ALA 258 Ca 0.36 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1ji3 s ALA 258 Cb -0.09 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1ji3 s ALA 258 CO 0.30 -0.61 0.91 0.45 0.00 0.00 0.00 175.76 176.81 1ji3 s SER 259 N 1.25 7.46 0.67 0.00 0.15 -1.26 -4.96 113.70 117.01 1ji3 s SER 259 Ca 0.62 1.74 0.42 0.00 0.70 0.00 0.00 55.95 59.44 1ji3 s SER 259 Cb -0.33 -2.56 2.30 0.00 -1.71 0.00 0.00 66.02 63.72 1ji3 s SER 259 CO 0.29 0.01 2.30 1.55 1.20 0.00 0.00 173.24 178.59 1ji3 h PRO 260 N 5.24 0.00 -0.70 5.44 0.13 -1.94 -2.71 132.00 137.47 1ji3 h PRO 260 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ji3 h PRO 260 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ji3 h PRO 260 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1ji3 n ASN 261 N -3.05 4.11 -4.15 1.44 3.02 -1.26 -3.96 115.26 111.40 1ji3 n ASN 261 Ca -0.03 -2.15 -0.22 0.00 -0.03 0.00 0.00 54.58 52.16 1ji3 n ASN 261 Cb 0.13 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1ji3 n ASN 261 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ji3 s THR 262 N -1.32 1.21 -0.11 3.41 2.01 -1.02 -4.82 115.64 115.00 1ji3 s THR 262 Ca 0.49 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 1ji3 s THR 262 Cb 0.27 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1ji3 s THR 262 CO 0.30 0.13 0.51 -0.31 -0.69 0.00 0.00 174.62 174.56 1ji3 s TYR 263 N -0.68 3.52 -0.13 4.92 1.51 -0.47 0.04 117.35 126.05 1ji3 s TYR 263 Ca 0.04 0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 57.02 1ji3 s TYR 263 Cb -0.07 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 1ji3 s TYR 263 CO 0.01 0.16 -0.06 0.71 -1.11 0.00 0.00 175.55 175.26 1ji3 s TYR 264 N 0.65 2.98 -0.04 2.71 1.51 -1.13 -0.77 117.35 123.25 1ji3 s TYR 264 Ca 0.28 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1ji3 s TYR 264 Cb -0.16 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1ji3 s TYR 264 CO 0.11 0.03 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.88 1ji3 s LEU 265 N 0.09 1.96 0.00 -1.29 1.02 0.11 0.52 118.68 121.10 1ji3 s LEU 265 Ca -0.02 -0.39 0.08 0.00 0.02 0.00 0.00 54.13 53.82 1ji3 s LEU 265 Cb -0.14 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.98 1ji3 s LEU 265 CO 0.03 0.18 -0.23 -0.94 0.02 0.00 0.00 176.35 175.41 1ji3 s SER 266 N -0.05 2.76 -0.11 2.29 1.04 -0.92 0.77 113.70 119.48 1ji3 s SER 266 Ca -0.03 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1ji3 s SER 266 Cb -0.12 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.71 1ji3 s SER 266 CO 0.02 0.26 -0.21 -0.36 0.98 0.00 0.00 173.24 173.93 1ji3 s PHE 267 N -0.62 2.62 0.01 5.02 0.40 0.27 -1.15 117.98 124.53 1ji3 s PHE 267 Ca 0.09 -0.99 -0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1ji3 s PHE 267 Cb -0.09 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1ji3 s PHE 267 CO -0.00 -0.39 0.14 -1.12 0.70 0.00 0.00 175.22 174.55 1ji3 s SER 268 N 0.38 6.06 0.07 1.36 0.01 0.38 -1.42 113.70 120.53 1ji3 s SER 268 Ca -0.16 0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.41 1ji3 s SER 268 Cb -0.17 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1ji3 s SER 268 CO 0.07 0.24 -0.20 0.42 0.41 0.00 0.00 173.24 174.19 1ji3 s THR 269 N -1.31 1.62 -0.06 1.44 -4.23 -1.26 0.39 115.64 112.23 1ji3 s THR 269 Ca 0.27 -1.31 -0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1ji3 s THR 269 Cb -0.12 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.32 1ji3 s THR 269 CO 0.19 0.08 0.46 -1.83 -0.54 0.00 0.00 174.62 172.98 1ji3 s GLU 270 N -1.45 0.77 -0.33 3.99 4.04 -0.54 -4.10 118.70 121.07 1ji3 s GLU 270 Ca 0.06 0.12 0.15 0.00 0.04 0.00 0.00 54.97 55.34 1ji3 s GLU 270 Cb -0.09 0.36 0.43 0.00 0.02 0.00 0.00 34.13 34.84 1ji3 s GLU 270 CO 0.03 -0.21 1.42 -2.13 -1.84 0.00 0.00 175.26 172.53 1ji3 n ARG 271 N 1.46 1.41 -4.24 -4.83 3.00 -0.41 -2.46 116.66 110.60 1ji3 n ARG 271 Ca -0.19 -1.79 -0.13 0.00 -0.00 0.00 0.00 57.85 55.74 1ji3 n ARG 271 Cb 0.56 -0.07 -0.10 0.00 0.00 0.00 0.00 32.46 32.85 1ji3 n ARG 271 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1ji3 s THR 272 N -0.73 0.40 0.16 5.15 -4.23 -1.25 -1.95 115.64 113.20 1ji3 s THR 272 Ca 0.15 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1ji3 s THR 272 Cb 0.42 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1ji3 s THR 272 CO -0.10 -0.26 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.83 1ji3 s TYR 273 N -3.85 1.71 0.08 3.99 -0.85 0.16 -4.83 117.35 113.76 1ji3 s TYR 273 Ca 0.30 -0.50 -0.25 0.00 -0.52 0.00 0.00 57.07 56.10 1ji3 s TYR 273 Cb 0.07 -0.86 -0.06 0.00 0.38 0.00 0.00 41.96 41.49 1ji3 s TYR 273 CO 0.08 0.29 0.78 0.50 -1.52 0.00 0.00 175.55 175.68 1ji3 s ARG 274 N -2.86 4.53 0.49 -3.49 3.52 -1.26 -1.34 118.95 118.53 1ji3 s ARG 274 Ca 0.15 1.12 -0.21 0.00 -0.13 0.00 0.00 55.73 56.65 1ji3 s ARG 274 Cb -0.05 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 1ji3 s ARG 274 CO 0.06 0.35 1.11 0.20 -0.81 0.00 0.00 175.30 176.21 1ji3 s GLY 275 N -0.31 2.67 0.05 8.12 0.00 0.12 -4.97 107.32 112.99 1ji3 s GLY 275 Ca 0.39 0.80 -0.14 0.00 0.00 0.00 0.00 44.72 45.77 1ji3 s GLY 275 CO 0.24 1.19 1.22 0.00 0.00 0.00 0.00 173.10 175.75 1ji3 h ALA 276 N 1.70 -0.53 -0.07 3.20 0.00 -1.96 -3.31 119.26 118.30 1ji3 h ALA 276 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ji3 h ALA 276 Cb 1.24 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1ji3 h ALA 276 CO 0.59 -0.63 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1ji3 n LEU 277 N -3.77 2.51 -0.00 0.00 4.77 -1.26 -4.68 117.00 114.56 1ji3 n LEU 277 Ca -0.02 -2.60 0.08 0.00 -0.03 0.00 0.00 56.01 53.44 1ji3 n LEU 277 Cb 0.14 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1ji3 n LEU 277 CO 0.01 0.64 -0.25 0.35 -1.33 0.00 0.00 177.39 176.81 1ji3 n THR 278 N -0.80 0.00 0.00 -5.08 -2.24 -1.24 -4.95 114.28 99.97 1ji3 n THR 278 Ca 0.11 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ji3 n THR 278 Cb 0.52 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1ji3 n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji3 n GLY 279 N 1.44 2.54 3.73 3.38 0.00 -1.26 -5.00 105.19 110.02 1ji3 n GLY 279 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1ji3 n GLY 279 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ji3 s ASN 280 N -1.08 4.30 0.02 1.61 0.01 -1.26 -4.72 114.94 113.82 1ji3 s ASN 280 Ca 0.00 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.33 1ji3 s ASN 280 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1ji3 s ASN 280 CO 0.00 -2.18 -0.03 -1.00 -1.51 0.00 0.00 177.10 172.38 1ji3 s HIS 281 N -2.33 2.98 0.01 2.20 3.76 0.34 0.12 115.29 122.38 1ji3 s HIS 281 Ca 0.69 0.01 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 1ji3 s HIS 281 Cb -0.24 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1ji3 s HIS 281 CO 0.48 0.43 -0.09 0.71 -0.85 0.00 0.00 174.74 175.42 1ji3 s TYR 282 N -1.11 0.76 0.27 1.40 1.51 -0.45 -4.23 117.35 115.51 1ji3 s TYR 282 Ca 0.20 -0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 55.74 1ji3 s TYR 282 Cb -0.11 -0.48 -0.09 0.00 -0.11 0.00 0.00 41.96 41.17 1ji3 s TYR 282 CO 0.11 -0.02 1.24 -1.25 -1.11 0.00 0.00 175.55 174.52 1ji3 s PRO 283 N -0.56 4.46 0.50 -1.71 0.04 -1.26 -0.66 135.00 135.81 1ji3 s PRO 283 Ca 0.01 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 1ji3 s PRO 283 Cb -0.05 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1ji3 s PRO 283 CO 0.00 -0.08 1.04 -1.21 0.04 0.00 0.00 177.00 176.79 1ji3 s GLU 284 N -1.12 3.73 0.30 4.56 2.02 -0.82 -4.82 118.70 122.55 1ji3 s GLU 284 Ca 0.50 1.33 -0.28 0.00 0.02 0.00 0.00 54.97 56.54 1ji3 s GLU 284 Cb -0.36 -2.09 -0.14 0.00 0.10 0.00 0.00 34.13 31.65 1ji3 s GLU 284 CO 0.44 -0.49 1.12 -0.11 0.02 0.00 0.00 175.26 176.24 1ji3 n LEU 285 N -1.14 2.37 0.00 1.80 7.94 -1.26 -2.31 117.00 124.39 1ji3 n LEU 285 Ca 0.09 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 1ji3 n LEU 285 Cb 0.53 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.13 1ji3 n LEU 285 CO 0.41 -1.08 0.00 0.61 -1.11 0.00 0.00 177.39 176.22 1ji3 n GLY 286 N 1.17 2.82 3.70 -3.96 0.00 -1.26 -5.04 105.19 102.61 1ji3 n GLY 286 Ca 0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ji3 n GLY 286 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ji3 n MET 287 N 0.00 2.02 -1.63 1.61 0.00 -0.98 -4.87 117.12 113.27 1ji3 n MET 287 Ca 0.00 0.71 -0.42 0.00 -0.00 0.00 0.00 57.70 57.99 1ji3 n MET 287 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 33.22 30.87 1ji3 n MET 287 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1ji3 n ASN 288 N 0.46 1.64 -0.16 6.12 0.23 -1.26 -4.71 115.26 117.58 1ji3 n ASN 288 Ca 0.06 1.11 -0.09 0.00 -0.53 0.00 0.00 54.58 55.13 1ji3 n ASN 288 Cb 0.38 -1.37 0.00 0.00 -2.08 0.00 0.00 39.78 36.71 1ji3 n ASN 288 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ji3 h ALA 289 N 1.87 0.61 -0.07 -2.53 0.00 -1.99 -1.61 119.26 115.54 1ji3 h ALA 289 Ca -0.44 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1ji3 h ALA 289 Cb 1.33 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1ji3 h ALA 289 CO 0.59 0.22 -0.24 0.35 0.00 0.00 0.00 179.25 180.17 1ji3 h PHE 290 N 0.61 -0.65 -0.46 0.00 3.57 -2.00 -1.50 116.94 116.52 1ji3 h PHE 290 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1ji3 h PHE 290 Cb 0.21 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1ji3 h PHE 290 CO 0.00 -0.33 0.21 0.77 -2.23 0.00 0.00 178.31 176.74 1ji3 h SER 291 N -0.34 0.29 -0.77 0.41 0.02 -1.82 0.12 113.55 111.46 1ji3 h SER 291 Ca 0.08 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1ji3 h SER 291 Cb 0.46 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1ji3 h SER 291 CO -0.26 0.20 0.50 0.00 -1.14 0.00 0.00 176.83 176.13 1ji3 h ALA 292 N 1.26 1.44 0.10 3.77 0.00 -0.95 0.34 119.26 125.21 1ji3 h ALA 292 Ca 0.20 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1ji3 h ALA 292 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ji3 h ALA 292 CO -0.16 0.52 -1.51 0.28 0.00 0.00 0.00 179.25 178.38 1ji3 h VAL 293 N 1.05 0.94 0.00 0.00 2.07 -0.89 -3.40 116.25 116.01 1ji3 h VAL 293 Ca 0.28 -2.36 -0.27 0.00 0.82 0.00 0.00 66.70 65.17 1ji3 h VAL 293 Cb -0.11 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1ji3 h VAL 293 CO -0.06 0.69 -2.17 0.52 0.02 0.00 0.00 177.57 176.58 1ji3 n VAL 294 N -3.90 1.09 -0.01 2.57 0.31 -0.00 -4.74 118.33 113.65 1ji3 n VAL 294 Ca -0.27 -0.76 -0.01 0.00 -0.01 0.00 0.00 64.34 63.28 1ji3 n VAL 294 Cb 0.90 -0.43 -0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1ji3 n VAL 294 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ji3 h ALA 296 N -0.03 1.50 -0.86 0.00 0.00 -0.61 -1.94 119.26 117.31 1ji3 h ALA 296 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ji3 h ALA 296 Cb 1.03 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ji3 h ALA 296 CO -0.01 0.41 0.57 -1.35 0.00 0.00 0.00 179.25 178.87 1ji3 h PRO 297 N 1.02 1.10 0.01 0.00 0.11 -1.79 -0.72 132.00 131.73 1ji3 h PRO 297 Ca 0.33 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1ji3 h PRO 297 Cb 0.05 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1ji3 h PRO 297 CO -0.10 0.73 -0.00 0.35 -0.21 0.00 0.00 178.00 178.76 1ji3 h PHE 298 N 1.13 -0.01 -0.98 0.65 3.04 -1.77 -2.81 116.94 116.19 1ji3 h PHE 298 Ca 0.33 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.42 1ji3 h PHE 298 Cb -0.08 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.34 1ji3 h PHE 298 CO -0.01 0.46 0.60 -0.07 -2.02 0.00 0.00 178.31 177.27 1ji3 h LEU 299 N -0.49 0.84 -0.70 0.59 3.38 -1.26 0.30 115.31 117.97 1ji3 h LEU 299 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ji3 h LEU 299 Cb 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ji3 h LEU 299 CO 0.00 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1ji3 n GLY 300 N -1.34 -0.17 0.00 0.83 0.00 -0.29 -4.07 105.19 100.15 1ji3 n GLY 300 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ji3 n GLY 300 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ji3 n SER 301 N -0.07 0.04 -4.69 1.61 3.41 -0.65 -0.50 113.62 112.77 1ji3 n SER 301 Ca 0.14 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1ji3 n SER 301 Cb 0.22 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1ji3 n SER 301 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ji3 s TYR 302 N -0.16 3.51 0.14 7.33 5.04 0.00 -5.03 117.35 128.18 1ji3 s TYR 302 Ca 0.00 1.58 0.09 0.00 -2.44 0.00 0.00 57.07 56.31 1ji3 s TYR 302 Cb 0.00 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.07 1ji3 s TYR 302 CO 0.00 -0.26 -0.22 1.03 -1.34 0.00 0.00 175.55 174.76 1ji3 s ARG 303 N 2.00 1.29 -0.30 4.97 0.52 -1.26 -4.86 118.95 121.31 1ji3 s ARG 303 Ca 0.49 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1ji3 s ARG 303 Cb -0.19 -1.57 0.13 0.00 0.52 0.00 0.00 34.95 33.85 1ji3 s ARG 303 CO 0.18 0.35 0.25 1.21 0.02 0.00 0.00 175.30 177.32 1ji3 s ASN 304 N -2.28 2.21 0.33 0.23 3.84 0.41 -5.02 114.94 114.67 1ji3 s ASN 304 Ca 0.13 -1.08 0.04 0.00 0.21 0.00 0.00 52.86 52.16 1ji3 s ASN 304 Cb -0.09 0.22 0.65 0.00 -0.55 0.00 0.00 41.25 41.49 1ji3 s ASN 304 CO 0.06 -0.38 1.92 -0.65 -2.79 0.00 0.00 177.10 175.25 1ji3 h PRO 305 N 8.09 0.86 -0.56 0.43 0.11 -1.95 -0.74 132.00 138.25 1ji3 h PRO 305 Ca -0.12 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.98 1ji3 h PRO 305 Cb 1.05 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 1ji3 h PRO 305 CO 0.34 0.57 0.37 1.15 -0.21 0.00 0.00 178.00 180.22 1ji3 h THR 306 N 0.88 1.05 -0.45 -1.15 2.02 -1.95 -1.73 112.91 111.58 1ji3 h THR 306 Ca 0.38 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1ji3 h THR 306 Cb 0.32 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1ji3 h THR 306 CO -0.15 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.03 1ji3 n LEU 307 N -4.47 3.94 -0.71 2.58 4.77 -0.40 -4.95 117.00 117.76 1ji3 n LEU 307 Ca 0.07 -2.45 -0.09 0.00 -0.03 0.00 0.00 56.01 53.51 1ji3 n LEU 307 Cb 0.16 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1ji3 n LEU 307 CO 0.35 0.75 -0.09 0.61 -1.33 0.00 0.00 177.39 177.68 1ji3 n GLY 308 N 0.51 1.03 3.50 -0.72 0.00 -0.65 -4.93 105.19 103.93 1ji3 n GLY 308 Ca 0.20 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1ji3 n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ji3 s ILE 309 N -2.15 4.20 0.50 -0.61 1.01 -0.50 -4.93 121.20 118.71 1ji3 s ILE 309 Ca 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1ji3 s ILE 309 Cb 0.00 -4.85 0.09 0.00 0.01 0.00 0.00 42.46 37.71 1ji3 s ILE 309 CO 0.00 -1.67 0.69 0.47 0.00 0.00 0.00 174.94 174.43 1ji3 n ASP 310 N 8.05 1.66 -0.32 3.58 9.92 -1.26 -0.44 116.55 137.74 1ji3 n ASP 310 Ca 0.13 -2.23 0.27 0.00 -0.53 0.00 0.00 54.79 52.43 1ji3 n ASP 310 Cb 0.48 -0.38 0.59 0.00 -0.64 0.00 0.00 41.12 41.17 1ji3 n ASP 310 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1ji3 h SER 311 N -0.00 0.29 0.96 -2.24 0.02 -1.93 -1.03 113.55 109.63 1ji3 h SER 311 Ca -0.23 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1ji3 h SER 311 Cb 1.03 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1ji3 h SER 311 CO 0.32 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.47 1ji3 n HIS 312 N -4.49 0.61 1.14 3.45 8.25 -1.26 -2.43 115.22 120.50 1ji3 n HIS 312 Ca 0.25 0.21 0.13 0.00 -0.26 0.00 0.00 57.72 58.05 1ji3 n HIS 312 Cb 1.00 -0.84 0.34 0.00 1.12 0.00 0.00 29.99 31.61 1ji3 n HIS 312 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ji3 n TRP 313 N -2.03 0.00 0.05 4.41 7.02 -0.39 -4.43 117.44 122.07 1ji3 n TRP 313 Ca 0.04 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1ji3 n TRP 313 Cb 0.30 -0.19 -0.12 0.00 -2.42 0.00 0.00 31.31 28.87 1ji3 n TRP 313 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1ji3 h LEU 314 N 0.60 0.04 -9.72 -0.99 3.38 -1.55 -3.42 115.31 103.64 1ji3 h LEU 314 Ca 0.00 -0.04 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 1ji3 h LEU 314 Cb 0.49 -0.01 0.07 0.00 0.09 0.00 0.00 40.66 41.30 1ji3 h LEU 314 CO 0.00 1.04 0.94 -0.70 0.09 0.00 0.00 178.44 179.80 1ji3 s GLU 315 N -2.69 4.13 0.26 1.13 2.12 -1.26 -3.74 118.70 118.65 1ji3 s GLU 315 Ca -0.00 2.57 -0.14 0.00 0.36 0.00 0.00 54.97 57.75 1ji3 s GLU 315 Cb 0.09 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.43 1ji3 s GLU 315 CO 0.83 -0.68 0.53 0.54 -0.54 0.00 0.00 175.26 175.94 1ji3 s ASN 316 N 0.84 -0.10 -0.20 -1.70 2.20 -1.26 -0.28 114.94 114.43 1ji3 s ASN 316 Ca 0.69 -0.88 0.15 0.00 -0.94 0.00 0.00 52.86 51.88 1ji3 s ASN 316 Cb -0.48 0.62 0.57 0.00 -2.00 0.00 0.00 41.25 39.96 1ji3 s ASN 316 CO 0.40 -1.20 1.48 -0.90 -2.94 0.00 0.00 177.10 173.94 1ji3 n ASP 317 N -0.44 3.99 0.00 3.54 5.75 -0.98 -1.29 116.55 127.11 1ji3 n ASP 317 Ca -0.02 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1ji3 n ASP 317 Cb 0.61 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1ji3 n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ji3 n GLY 318 N -0.45 1.52 0.00 6.12 0.00 -1.26 -1.60 105.19 109.52 1ji3 n GLY 318 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ji3 n GLY 318 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ji3 n ILE 319 N -2.00 0.00 -5.29 -0.61 2.08 -1.26 -4.26 119.36 108.02 1ji3 n ILE 319 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 1ji3 n ILE 319 Cb 0.00 -0.06 -0.16 0.00 -0.75 0.00 0.00 39.64 38.67 1ji3 n ILE 319 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1ji3 s VAL 320 N -1.12 2.06 0.12 1.39 1.01 -1.26 -4.53 120.40 118.06 1ji3 s VAL 320 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 1ji3 s VAL 320 Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 1ji3 s VAL 320 CO 0.00 0.58 1.70 0.20 0.00 0.00 0.00 175.10 177.57 1ji3 s ASN 321 N -0.42 6.52 0.32 3.32 -0.87 -1.26 -2.32 114.94 120.23 1ji3 s ASN 321 Ca 0.04 2.63 -0.00 0.00 -1.57 0.00 0.00 52.86 53.96 1ji3 s ASN 321 Cb -0.12 -2.57 0.53 0.00 -0.02 0.00 0.00 41.25 39.07 1ji3 s ASN 321 CO 0.01 -0.92 1.99 0.74 -2.57 0.00 0.00 177.10 176.35 1ji3 h THR 322 N 4.52 1.19 0.00 1.60 2.02 -0.89 -0.48 112.91 120.88 1ji3 h THR 322 Ca -0.44 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1ji3 h THR 322 Cb 1.21 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1ji3 h THR 322 CO 0.93 0.18 0.00 -0.29 0.37 0.00 0.00 175.52 176.72 1ji3 h ILE 323 N 1.01 0.00 0.00 3.11 2.10 -1.77 -1.23 117.51 120.72 1ji3 h ILE 323 Ca 0.27 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.20 1ji3 h ILE 323 Cb -0.12 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 1ji3 h ILE 323 CO -0.06 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 176.77 1ji3 n SER 324 N -3.03 0.00 0.05 2.19 2.88 -0.19 -4.23 113.62 111.29 1ji3 n SER 324 Ca -0.03 0.44 0.10 0.00 -1.33 0.00 0.00 58.87 58.06 1ji3 n SER 324 Cb 0.07 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 1ji3 n SER 324 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ji3 n MET 325 N -1.48 0.63 0.12 -1.46 2.81 -0.46 -1.55 117.12 115.72 1ji3 n MET 325 Ca 0.07 -0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1ji3 n MET 325 Cb 0.29 -1.70 0.45 0.00 -0.71 0.00 0.00 33.22 31.55 1ji3 n MET 325 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ji3 n ASN 326 N -2.52 0.76 0.00 7.83 6.94 -1.26 -4.60 115.26 122.41 1ji3 n ASN 326 Ca -0.03 0.62 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1ji3 n ASN 326 Cb 0.59 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1ji3 n ASN 326 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ji3 n GLY 327 N 0.72 3.11 3.73 4.83 0.00 -1.26 -4.72 105.19 111.60 1ji3 n GLY 327 Ca 0.04 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1ji3 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ji3 s PRO 328 N -2.20 4.17 0.00 1.61 0.04 -1.26 -4.67 135.00 132.69 1ji3 s PRO 328 Ca 0.00 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1ji3 s PRO 328 Cb 0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1ji3 s PRO 328 CO 0.00 -0.65 0.00 1.63 0.04 0.00 0.00 177.00 178.02 1ji3 n LYS 329 N 3.42 0.00 -2.08 4.56 5.02 -1.26 -4.61 118.16 123.21 1ji3 n LYS 329 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1ji3 n LYS 329 Cb 0.37 -0.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.94 1ji3 n LYS 329 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ji3 s ARG 330 N -1.82 3.97 -0.24 1.97 1.81 -1.26 -2.12 118.95 121.27 1ji3 s ARG 330 Ca 0.00 1.89 0.00 0.00 -1.72 0.00 0.00 55.73 55.90 1ji3 s ARG 330 Cb 0.00 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.50 1ji3 s ARG 330 CO 0.00 -1.08 0.00 0.41 -0.68 0.00 0.00 175.30 173.95 1ji3 n GLY 331 N 4.39 0.56 3.35 -3.53 0.00 -1.26 -4.50 105.19 104.20 1ji3 n GLY 331 Ca 0.18 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1ji3 n GLY 331 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ji3 s SER 332 N -2.54 3.00 0.00 1.61 0.15 -0.90 -3.19 113.70 111.84 1ji3 s SER 332 Ca 0.00 -0.73 0.17 0.00 0.70 0.00 0.00 55.95 56.09 1ji3 s SER 332 Cb 0.00 -0.19 0.39 0.00 -1.71 0.00 0.00 66.02 64.52 1ji3 s SER 332 CO 0.00 0.13 1.31 0.59 1.20 0.00 0.00 173.24 176.47 1ji3 n ASN 333 N 0.97 3.20 -4.75 5.45 3.02 -1.26 -4.86 115.26 117.02 1ji3 n ASN 333 Ca -0.18 -1.93 -0.38 0.00 -0.03 0.00 0.00 54.58 52.05 1ji3 n ASN 333 Cb 0.53 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 39.46 1ji3 n ASN 333 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ji3 s ASP 334 N -1.10 5.34 -0.05 6.41 1.01 -1.26 -4.99 116.67 122.04 1ji3 s ASP 334 Ca 0.32 2.69 -0.14 0.00 0.71 0.00 0.00 52.55 56.13 1ji3 s ASP 334 Cb 0.18 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 1ji3 s ASP 334 CO 0.24 -1.52 0.36 -0.60 0.21 0.00 0.00 175.17 173.86 1ji3 s ARG 335 N -2.92 3.93 -0.08 8.23 3.52 -1.26 -4.96 118.95 125.41 1ji3 s ARG 335 Ca 0.71 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 56.65 1ji3 s ARG 335 Cb -0.38 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1ji3 s ARG 335 CO 0.45 0.60 -0.19 0.42 -0.81 0.00 0.00 175.30 175.78 1ji3 s ILE 336 N -0.73 1.63 -0.02 4.11 1.01 -1.26 -1.02 121.20 124.91 1ji3 s ILE 336 Ca 0.22 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1ji3 s ILE 336 Cb -0.15 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1ji3 s ILE 336 CO 0.11 0.46 -0.07 0.68 0.00 0.00 0.00 174.94 176.12 1ji3 s VAL 337 N 0.44 0.62 0.43 2.92 -7.23 -0.27 -4.96 120.40 112.36 1ji3 s VAL 337 Ca -0.16 -0.28 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 1ji3 s VAL 337 Cb -0.17 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.12 1ji3 s VAL 337 CO 0.06 0.20 1.46 -2.65 -0.31 0.00 0.00 175.10 173.86 1ji3 n PRO 338 N 3.28 2.42 -1.87 4.82 -0.02 -1.26 -1.00 135.00 141.37 1ji3 n PRO 338 Ca -0.18 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1ji3 n PRO 338 Cb 0.55 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1ji3 n PRO 338 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ji3 s TYR 339 N -1.17 3.01 -0.16 6.00 5.04 -0.63 -4.76 117.35 124.68 1ji3 s TYR 339 Ca 0.59 0.55 0.14 0.00 -2.44 0.00 0.00 57.07 55.91 1ji3 s TYR 339 Cb -0.45 -3.99 0.42 0.00 0.35 0.00 0.00 41.96 38.29 1ji3 s TYR 339 CO 0.60 -3.68 1.21 -0.40 -1.34 0.00 0.00 175.55 171.93 1ji3 n ASP 340 N 3.90 1.58 0.00 4.32 5.75 -1.26 -4.96 116.55 125.88 1ji3 n ASP 340 Ca 0.14 -3.48 0.00 0.00 -0.01 0.00 0.00 54.79 51.44 1ji3 n ASP 340 Cb 0.37 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1ji3 n ASP 340 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ji3 n GLY 341 N -0.75 3.27 3.07 6.12 0.00 -1.26 -5.04 105.19 110.60 1ji3 n GLY 341 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1ji3 n GLY 341 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji3 s THR 342 N -2.53 1.39 -0.08 2.61 -1.32 -1.26 -5.12 115.64 109.32 1ji3 s THR 342 Ca 0.00 -0.62 -0.21 0.00 -1.21 0.00 0.00 61.69 59.65 1ji3 s THR 342 Cb 0.00 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 1ji3 s THR 342 CO 0.00 0.41 0.58 -0.76 -2.21 0.00 0.00 174.62 172.64 1ji3 s LEU 343 N 0.60 4.31 -0.00 9.08 1.43 -1.26 -5.01 118.68 127.83 1ji3 s LEU 343 Ca -0.15 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1ji3 s LEU 343 Cb -0.16 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1ji3 s LEU 343 CO 0.05 -0.03 -0.04 -1.59 0.23 0.00 0.00 176.35 174.96 1ji3 s LYS 344 N 0.58 2.64 0.37 1.70 -2.85 -1.26 -5.02 119.74 115.90 1ji3 s LYS 344 Ca 0.31 -0.68 -0.25 0.00 -1.00 0.00 0.00 55.97 54.36 1ji3 s LYS 344 Cb -0.17 -2.57 -0.09 0.00 -2.06 0.00 0.00 37.83 32.95 1ji3 s LYS 344 CO 0.14 0.61 1.03 0.21 0.10 0.00 0.00 175.35 177.45 1ji3 s LYS 345 N -1.44 4.32 0.00 1.78 2.20 -1.26 -4.05 119.74 121.28 1ji3 s LYS 345 Ca 0.18 1.51 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 1ji3 s LYS 345 Cb -0.11 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1ji3 s LYS 345 CO 0.08 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 1ji3 n GLY 346 N 0.49 0.58 3.32 5.54 0.00 0.11 -4.95 105.19 110.27 1ji3 n GLY 346 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1ji3 n GLY 346 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ji3 s VAL 347 N -2.52 0.72 -0.45 1.61 -7.23 -1.26 -4.77 120.40 106.51 1ji3 s VAL 347 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 1ji3 s VAL 347 Cb 0.00 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1ji3 s VAL 347 CO 0.00 -0.13 0.84 0.26 -0.31 0.00 0.00 175.10 175.76 1ji3 s TRP 348 N -3.64 2.97 -0.59 2.82 0.52 -0.19 -2.84 118.94 117.99 1ji3 s TRP 348 Ca 0.34 0.28 -0.24 0.00 0.02 0.00 0.00 56.10 56.50 1ji3 s TRP 348 Cb 0.07 -3.78 0.05 0.00 -1.15 0.00 0.00 33.47 28.66 1ji3 s TRP 348 CO 0.11 -1.02 0.98 -0.80 0.02 0.00 0.00 176.95 176.24 1ji3 s ASN 349 N 2.17 6.28 -0.53 2.95 0.01 0.19 -1.11 114.94 124.90 1ji3 s ASN 349 Ca 0.33 -0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 51.67 1ji3 s ASN 349 Cb -0.11 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.13 1ji3 s ASN 349 CO 0.24 -1.33 1.18 -0.62 -1.51 0.00 0.00 177.10 175.05 1ji3 s ASP 350 N 3.13 6.53 0.00 -1.22 -1.08 -0.17 -2.17 116.67 121.68 1ji3 s ASP 350 Ca 0.29 0.30 0.06 0.00 -0.52 0.00 0.00 52.55 52.67 1ji3 s ASP 350 Cb -0.13 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 38.97 1ji3 s ASP 350 CO 0.17 -1.38 1.15 0.23 0.52 0.00 0.00 175.17 175.86 1ji3 n MET 351 N 8.16 1.41 0.00 4.34 2.81 -0.30 -1.61 117.12 131.93 1ji3 n MET 351 Ca 0.10 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 1ji3 n MET 351 Cb 0.49 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1ji3 n MET 351 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ji3 n GLY 352 N 0.79 2.03 3.38 3.03 0.00 -1.26 -4.95 105.19 108.21 1ji3 n GLY 352 Ca 0.06 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1ji3 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji3 s THR 353 N -2.14 3.24 -0.05 2.61 2.01 -1.26 -0.47 115.64 119.58 1ji3 s THR 353 Ca 0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1ji3 s THR 353 Cb 0.00 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 1ji3 s THR 353 CO 0.00 0.50 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.05 1ji3 s TYR 354 N 0.58 2.91 -1.40 4.92 1.51 0.16 -4.96 117.35 121.07 1ji3 s TYR 354 Ca -0.06 -0.00 -0.11 0.00 -1.01 0.00 0.00 57.07 55.89 1ji3 s TYR 354 Cb -0.15 -1.68 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 1ji3 s TYR 354 CO 0.03 0.33 2.23 -1.71 -1.11 0.00 0.00 175.55 175.32 1ji3 n ASN 355 N 2.08 5.49 -3.87 2.29 4.05 -1.26 -1.47 115.26 122.56 1ji3 n ASN 355 Ca -0.17 -2.93 -0.11 0.00 0.45 0.00 0.00 54.58 51.81 1ji3 n ASN 355 Cb 0.53 -1.55 -0.11 0.00 1.23 0.00 0.00 39.78 39.88 1ji3 n ASN 355 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ji3 s VAL 356 N 1.54 0.06 0.71 3.44 1.01 -1.03 -4.93 120.40 121.19 1ji3 s VAL 356 Ca 0.48 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ji3 s VAL 356 Cb 0.14 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.29 1ji3 s VAL 356 CO -0.05 -0.27 0.99 1.51 0.00 0.00 0.00 175.10 177.28 1ji3 s ASP 357 N -0.90 4.57 0.26 3.32 1.47 -1.26 -3.38 116.67 120.74 1ji3 s ASP 357 Ca -0.10 0.06 -0.02 0.00 1.18 0.00 0.00 52.55 53.68 1ji3 s ASP 357 Cb -0.06 -0.61 0.48 0.00 -0.34 0.00 0.00 42.92 42.40 1ji3 s ASP 357 CO 0.01 -1.71 1.80 -0.74 0.68 0.00 0.00 175.17 175.20 1ji3 h HIS 358 N -0.55 0.91 0.00 2.11 -0.00 -1.69 -1.59 115.15 114.34 1ji3 h HIS 358 Ca -0.41 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 59.88 1ji3 h HIS 358 Cb 1.29 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.40 1ji3 h HIS 358 CO -0.00 0.32 -1.34 1.28 -0.00 0.00 0.00 177.93 178.19 1ji3 n LEU 359 N -4.75 0.77 0.23 0.26 4.77 -1.26 -3.91 117.00 113.11 1ji3 n LEU 359 Ca 0.16 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1ji3 n LEU 359 Cb 0.35 0.04 0.53 0.00 -2.33 0.00 0.00 43.42 42.01 1ji3 n LEU 359 CO 0.25 0.03 0.87 -0.33 -1.33 0.00 0.00 177.39 176.88 1ji3 h GLU 360 N 0.00 0.00 0.00 3.23 5.08 -1.47 -1.44 114.58 119.98 1ji3 h GLU 360 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ji3 h GLU 360 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ji3 h GLU 360 CO 0.03 0.22 0.00 0.97 -1.00 0.00 0.00 179.01 179.23 1ji3 h ILE 361 N 0.00 0.00 -0.56 3.13 2.10 -1.49 -1.47 117.51 119.22 1ji3 h ILE 361 Ca -0.00 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.25 1ji3 h ILE 361 Cb 0.44 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 1ji3 h ILE 361 CO 0.03 0.00 0.00 2.30 -1.08 0.00 0.00 178.15 179.40 1ji3 n ILE 362 N -2.63 1.12 -0.97 2.19 -5.35 -1.12 -4.97 119.36 107.63 1ji3 n ILE 362 Ca 0.05 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1ji3 n ILE 362 Cb 0.46 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1ji3 n ILE 362 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ji3 n GLY 363 N 1.09 0.92 0.22 3.28 0.00 -0.55 0.19 105.19 110.34 1ji3 n GLY 363 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1ji3 n GLY 363 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ji3 h VAL 364 N 0.00 1.27 -3.76 1.61 2.07 -1.46 -0.24 116.25 115.74 1ji3 h VAL 364 Ca 0.00 -1.27 -0.68 0.00 0.82 0.00 0.00 66.70 65.57 1ji3 h VAL 364 Cb 0.00 1.44 -0.19 0.00 -1.52 0.00 0.00 31.29 31.02 1ji3 h VAL 364 CO 0.00 0.39 -0.77 -0.62 0.02 0.00 0.00 177.57 176.60 1ji3 s ASP 365 N -6.84 4.14 0.48 0.57 2.15 -1.07 -4.53 116.67 111.57 1ji3 s ASP 365 Ca -0.06 -0.37 -0.20 0.00 0.43 0.00 0.00 52.55 52.35 1ji3 s ASP 365 Cb 0.14 -0.76 -0.09 0.00 -0.30 0.00 0.00 42.92 41.91 1ji3 s ASP 365 CO 0.77 0.23 1.01 -2.16 -0.17 0.00 0.00 175.17 174.86 1ji3 s PRO 366 N -1.70 3.89 -0.37 4.34 0.04 -1.26 -4.11 135.00 135.83 1ji3 s PRO 366 Ca 0.17 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1ji3 s PRO 366 Cb -0.11 -2.11 0.18 0.00 0.04 0.00 0.00 34.50 32.50 1ji3 s PRO 366 CO 0.08 -0.34 0.71 1.21 0.04 0.00 0.00 177.00 178.71 1ji3 s ASN 367 N -2.10 -1.29 0.54 6.66 3.84 -1.26 -4.94 114.94 116.38 1ji3 s ASN 367 Ca 0.65 -0.48 0.22 0.00 0.21 0.00 0.00 52.86 53.46 1ji3 s ASN 367 Cb -0.14 1.68 1.49 0.00 -0.55 0.00 0.00 41.25 43.73 1ji3 s ASN 367 CO 0.19 -0.16 2.18 -0.65 -2.79 0.00 0.00 177.10 175.87 1ji3 h PRO 368 N 6.90 0.00 0.00 0.43 0.11 -2.01 0.45 132.00 137.87 1ji3 h PRO 368 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ji3 h PRO 368 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ji3 h PRO 368 CO 0.07 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.31 1ji3 n SER 369 N -4.19 0.44 -4.59 -2.05 7.64 -1.26 -4.61 113.62 105.01 1ji3 n SER 369 Ca -0.03 0.58 -0.39 0.00 1.01 0.00 0.00 58.87 60.04 1ji3 n SER 369 Cb 0.11 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 1ji3 n SER 369 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ji3 s PHE 370 N -3.14 3.23 -1.20 1.43 5.36 0.15 -4.99 117.98 118.81 1ji3 s PHE 370 Ca 0.08 0.19 -0.18 0.00 -0.96 0.00 0.00 56.93 56.06 1ji3 s PHE 370 Cb 0.12 -2.50 0.08 0.00 -0.34 0.00 0.00 43.02 40.38 1ji3 s PHE 370 CO 0.44 -0.24 1.59 0.34 -1.46 0.00 0.00 175.22 175.89 1ji3 s ASP 371 N 1.71 6.79 0.25 6.13 -1.08 -1.26 -4.82 116.67 124.39 1ji3 s ASP 371 Ca 0.11 -2.29 -0.01 0.00 -0.52 0.00 0.00 52.55 49.83 1ji3 s ASP 371 Cb -0.16 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.08 1ji3 s ASP 371 CO 0.11 -1.17 1.71 -0.29 0.52 0.00 0.00 175.17 176.04 1ji3 h ILE 372 N 5.71 1.26 -0.23 4.11 2.10 -1.94 -2.09 117.51 126.43 1ji3 h ILE 372 Ca 0.36 -1.19 0.01 0.00 1.08 0.00 0.00 64.86 65.12 1ji3 h ILE 372 Cb 0.91 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1ji3 h ILE 372 CO 1.40 0.40 0.14 0.03 -1.08 0.00 0.00 178.15 179.03 1ji3 h ARG 373 N 0.61 0.27 -0.17 2.19 3.08 -1.99 -1.45 114.38 116.93 1ji3 h ARG 373 Ca 0.10 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1ji3 h ARG 373 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1ji3 h ARG 373 CO 0.04 0.18 -0.22 0.00 -1.07 0.00 0.00 179.97 178.90 1ji3 h ALA 374 N 1.10 1.31 -0.13 0.04 0.00 -1.94 0.22 119.26 119.86 1ji3 h ALA 374 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ji3 h ALA 374 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ji3 h ALA 374 CO -0.04 0.46 0.05 0.35 0.00 0.00 0.00 179.25 180.08 1ji3 h PHE 375 N 0.28 0.19 -0.29 0.00 3.04 -1.02 0.43 116.94 119.57 1ji3 h PHE 375 Ca 0.05 -0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.83 1ji3 h PHE 375 Cb 0.54 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 1ji3 h PHE 375 CO 0.01 0.28 -0.44 1.88 -2.02 0.00 0.00 178.31 178.02 1ji3 h TYR 376 N 0.05 1.00 -0.66 0.41 0.05 -0.82 -2.28 116.97 114.72 1ji3 h TYR 376 Ca 0.04 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 1ji3 h TYR 376 Cb 0.17 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1ji3 h TYR 376 CO -0.02 1.14 0.38 -0.07 -1.05 0.00 0.00 178.16 178.55 1ji3 h LEU 377 N 0.57 0.81 -0.64 3.88 3.38 -0.52 -1.24 115.31 121.55 1ji3 h LEU 377 Ca 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ji3 h LEU 377 Cb 1.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ji3 h LEU 377 CO 0.10 0.65 0.41 -0.09 0.09 0.00 0.00 178.44 179.59 1ji3 h ARG 378 N 0.90 0.79 -0.51 1.13 2.43 -0.91 -1.48 114.38 116.72 1ji3 h ARG 378 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1ji3 h ARG 378 Cb -0.00 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1ji3 h ARG 378 CO -0.04 0.52 0.29 1.25 -1.51 0.00 0.00 179.97 180.48 1ji3 h LEU 379 N 0.81 0.63 -0.36 3.80 5.85 -0.94 0.27 115.31 125.37 1ji3 h LEU 379 Ca 0.25 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ji3 h LEU 379 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1ji3 h LEU 379 CO -0.08 0.52 0.21 0.00 -0.34 0.00 0.00 178.44 178.75 1ji3 h ALA 380 N 1.13 0.45 -0.84 1.25 0.00 -1.00 0.12 119.26 120.38 1ji3 h ALA 380 Ca 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ji3 h ALA 380 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ji3 h ALA 380 CO -0.03 -0.14 0.54 1.49 0.00 0.00 0.00 179.25 181.10 1ji3 h GLU 381 N 0.42 1.01 -0.55 0.00 4.81 -0.99 0.13 114.58 119.42 1ji3 h GLU 381 Ca 0.14 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1ji3 h GLU 381 Cb 0.01 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1ji3 h GLU 381 CO -0.07 0.67 0.18 1.96 -0.73 0.00 0.00 179.01 181.02 1ji3 h GLN 382 N 1.04 0.85 -0.56 1.92 4.20 0.58 -2.46 115.11 120.68 1ji3 h GLN 382 Ca 0.33 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1ji3 h GLN 382 Cb 0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1ji3 h GLN 382 CO -0.12 0.77 0.15 -0.07 -0.67 0.00 0.00 178.83 178.89 1ji3 h LEU 383 N 0.76 0.80 -1.94 1.46 3.38 -0.16 -1.83 115.31 117.77 1ji3 h LEU 383 Ca 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ji3 h LEU 383 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ji3 h LEU 383 CO -0.01 0.77 -0.11 0.00 0.09 0.00 0.00 178.44 179.18 1ji3 h ALA 384 N 1.33 1.40 0.00 1.53 0.00 -0.54 -2.47 119.26 120.50 1ji3 h ALA 384 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ji3 h ALA 384 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ji3 h ALA 384 CO -0.00 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1ji3 n SER 385 N -3.80 0.00 -4.76 0.00 3.41 -0.69 -0.60 113.62 107.17 1ji3 n SER 385 Ca -0.02 0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 1ji3 n SER 385 Cb 0.22 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1ji3 n SER 385 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ji3 s LEU 386 N -2.97 4.40 -0.18 1.04 1.43 -0.93 -4.39 118.68 117.08 1ji3 s LEU 386 Ca 0.15 2.73 -0.25 0.00 -1.03 0.00 0.00 54.13 55.73 1ji3 s LEU 386 Cb 0.19 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1ji3 s LEU 386 CO 0.52 -0.64 0.82 -1.10 0.23 0.00 0.00 176.35 176.18 1ji3 s GLN 387 N -1.32 4.28 0.00 1.70 1.11 -1.26 -4.01 119.66 120.16 1ji3 s GLN 387 Ca 0.53 1.00 0.04 0.00 0.01 0.00 0.00 55.36 56.94 1ji3 s GLN 387 Cb -0.41 -3.58 0.27 0.00 -1.01 0.00 0.00 33.01 28.27 1ji3 s GLN 387 CO 0.51 -0.34 0.74 -2.30 0.01 0.00 0.00 175.29 173.91