#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj4 n ALA 12 N 0.00 1.98 -0.04 2.12 0.00 -1.26 -4.58 120.51 118.74 1bj4 n ALA 12 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1bj4 n ALA 12 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1bj4 n ALA 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bj4 h ASP 13 N 0.00 0.74 1.56 0.00 3.32 -2.06 -3.12 116.42 116.87 1bj4 h ASP 13 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 57.03 56.38 1bj4 h ASP 13 Cb 0.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1bj4 h ASP 13 CO 0.00 1.23 -0.45 0.25 -1.72 0.00 0.00 179.24 178.56 1bj4 h LEU 14 N 0.30 0.00 -0.65 1.55 5.85 -1.99 -3.21 115.31 117.15 1bj4 h LEU 14 Ca -0.03 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1bj4 h LEU 14 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1bj4 h LEU 14 CO 0.12 0.26 -0.60 -0.25 -0.34 0.00 0.00 178.44 177.62 1bj4 h TRP 15 N 0.00 0.00 0.00 1.25 -0.00 -1.80 -1.72 115.95 113.68 1bj4 h TRP 15 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.74 1bj4 h TRP 15 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.35 1bj4 h TRP 15 CO 0.00 0.60 -0.66 0.77 -0.00 0.00 0.00 178.44 179.15 1bj4 h SER 16 N 0.00 0.00 0.74 2.65 0.02 -1.61 -2.73 113.55 112.62 1bj4 h SER 16 Ca -0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1bj4 h SER 16 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1bj4 h SER 16 CO 0.08 0.66 -0.56 -1.28 -1.14 0.00 0.00 176.83 174.58 1bj4 h SER 17 N 0.00 0.00 -0.11 3.07 0.87 -1.49 -1.26 113.55 114.63 1bj4 h SER 17 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1bj4 h SER 17 Cb 1.48 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1bj4 h SER 17 CO 0.09 0.56 -0.16 -0.74 -0.53 0.00 0.00 176.83 176.05 1bj4 h HIS 18 N 0.00 0.37 -0.11 2.24 6.17 -1.20 -1.29 115.15 121.32 1bj4 h HIS 18 Ca -0.01 -0.12 -0.04 0.00 0.71 0.00 0.00 60.37 60.91 1bj4 h HIS 18 Cb 1.08 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.93 1bj4 h HIS 18 CO 0.00 0.75 -0.12 -0.44 0.71 0.00 0.00 177.93 178.83 1bj4 h ASP 19 N -0.12 0.16 0.96 3.26 3.32 -1.37 -1.16 116.42 121.46 1bj4 h ASP 19 Ca 0.01 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1bj4 h ASP 19 Cb 0.71 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1bj4 h ASP 19 CO 0.04 0.30 -0.45 0.00 -1.72 0.00 0.00 179.24 177.41 1bj4 h ALA 20 N 1.72 0.89 -0.21 3.45 0.00 -1.10 -3.15 119.26 120.87 1bj4 h ALA 20 Ca 0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1bj4 h ALA 20 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bj4 h ALA 20 CO 0.02 0.56 -0.63 1.98 0.00 0.00 0.00 179.25 181.18 1bj4 h MET 21 N 0.00 0.73 0.00 0.00 1.85 -0.00 -1.34 114.93 116.17 1bj4 h MET 21 Ca -0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 1bj4 h MET 21 Cb 1.05 0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.16 1bj4 h MET 21 CO 0.06 1.13 0.00 1.28 -0.40 0.00 0.00 176.91 178.98 1bj4 n LEU 22 N -3.96 0.22 -0.21 3.39 4.77 -1.02 -3.32 117.00 116.87 1bj4 n LEU 22 Ca -0.05 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 1bj4 n LEU 22 Cb 0.66 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1bj4 n LEU 22 CO 0.50 -0.06 0.21 0.00 -1.33 0.00 0.00 177.39 176.71 1bj4 n ALA 23 N -1.58 2.79 -2.10 -1.18 0.00 -1.19 -5.01 120.51 112.25 1bj4 n ALA 23 Ca 0.07 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1bj4 n ALA 23 Cb 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1bj4 n ALA 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1bj4 s GLN 24 N -1.29 4.53 0.62 0.00 0.74 -0.51 -5.02 119.66 118.73 1bj4 s GLN 24 Ca 0.08 1.79 -0.18 0.00 0.05 0.00 0.00 55.36 57.10 1bj4 s GLN 24 Cb 0.07 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1bj4 s GLN 24 CO 0.23 -0.03 1.19 -2.14 -0.55 0.00 0.00 175.29 173.99 1bj4 s PRO 25 N -0.17 2.86 0.24 1.67 0.02 -1.26 -4.74 135.00 133.61 1bj4 s PRO 25 Ca 0.52 1.75 -0.04 0.00 0.02 0.00 0.00 61.00 63.24 1bj4 s PRO 25 Cb -0.31 -1.92 0.41 0.00 0.02 0.00 0.00 34.50 32.70 1bj4 s PRO 25 CO 0.35 -1.27 1.78 1.25 -0.33 0.00 0.00 177.00 178.78 1bj4 h LEU 26 N 0.64 0.53 -0.91 -5.54 5.85 -1.95 0.15 115.31 114.09 1bj4 h LEU 26 Ca -0.50 0.07 0.22 0.00 0.84 0.00 0.00 57.88 58.52 1bj4 h LEU 26 Cb 1.29 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 1bj4 h LEU 26 CO 0.54 0.28 0.41 0.50 -0.34 0.00 0.00 178.44 179.84 1bj4 h LYS 27 N 0.66 0.40 0.08 1.25 3.64 -1.92 0.30 116.57 120.98 1bj4 h LYS 27 Ca 0.40 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.39 1bj4 h LYS 27 Cb 0.45 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1bj4 h LYS 27 CO -0.29 0.26 -2.05 -0.25 -2.27 0.00 0.00 179.45 174.85 1bj4 n ASP 28 N -5.03 2.06 -0.31 4.20 8.00 -0.80 -3.77 116.55 120.90 1bj4 n ASP 28 Ca 0.23 0.16 -0.04 0.00 0.71 0.00 0.00 54.79 55.85 1bj4 n ASP 28 Cb 0.67 -0.78 0.08 0.00 -0.02 0.00 0.00 41.12 41.07 1bj4 n ASP 28 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1bj4 h SER 29 N -0.10 1.03 -1.87 -2.24 0.87 -0.35 -3.38 113.55 107.51 1bj4 h SER 29 Ca -0.46 -0.09 -0.44 0.00 -1.23 0.00 0.00 61.79 59.58 1bj4 h SER 29 Cb 1.92 -0.26 -0.30 0.00 -0.44 0.00 0.00 62.40 63.31 1bj4 h SER 29 CO 0.00 0.82 -0.81 -0.67 -0.53 0.00 0.00 176.83 175.64 1bj4 n ASP 30 N -4.41 -1.53 -0.23 6.23 -0.08 0.10 -4.99 116.55 111.65 1bj4 n ASP 30 Ca 0.08 -2.57 0.01 0.00 -1.51 0.00 0.00 54.79 50.80 1bj4 n ASP 30 Cb 0.08 0.26 0.24 0.00 2.34 0.00 0.00 41.12 44.04 1bj4 n ASP 30 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1bj4 h VAL 31 N 4.70 1.19 -0.46 5.18 -1.51 -1.68 -0.56 116.25 123.11 1bj4 h VAL 31 Ca 0.19 -0.36 0.06 0.00 -1.23 0.00 0.00 66.70 65.36 1bj4 h VAL 31 Cb 0.98 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.15 1bj4 h VAL 31 CO 0.25 0.19 0.18 -0.08 -1.23 0.00 0.00 177.57 176.88 1bj4 h GLU 32 N 1.05 0.35 -0.02 5.19 4.81 -1.92 0.51 114.58 124.54 1bj4 h GLU 32 Ca 0.29 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 1bj4 h GLU 32 Cb -0.11 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1bj4 h GLU 32 CO -0.06 0.23 -0.91 0.28 -0.73 0.00 0.00 179.01 177.82 1bj4 h VAL 33 N 0.36 1.37 -0.42 0.32 2.07 -1.87 -3.07 116.25 115.02 1bj4 h VAL 33 Ca 0.21 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.44 1bj4 h VAL 33 Cb 0.19 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1bj4 h VAL 33 CO -0.20 0.70 0.20 0.22 0.02 0.00 0.00 177.57 178.51 1bj4 h TYR 34 N 0.29 0.36 -0.70 1.57 3.20 -0.51 -2.01 116.97 119.16 1bj4 h TYR 34 Ca -0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 1bj4 h TYR 34 Cb 1.54 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.68 1bj4 h TYR 34 CO 0.07 0.18 0.25 -0.91 -1.64 0.00 0.00 178.16 176.10 1bj4 h ASN 35 N 0.40 0.99 -0.80 -2.11 2.35 -0.96 -1.36 115.58 114.09 1bj4 h ASN 35 Ca 0.18 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1bj4 h ASN 35 Cb 0.11 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 1bj4 h ASN 35 CO -0.14 0.91 0.51 0.40 -1.65 0.00 0.00 177.43 177.46 1bj4 h ILE 36 N 1.01 1.13 -0.51 2.81 2.04 -1.37 0.27 117.51 122.90 1bj4 h ILE 36 Ca 0.23 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1bj4 h ILE 36 Cb 0.25 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1bj4 h ILE 36 CO -0.01 0.18 0.16 0.40 0.00 0.00 0.00 178.15 178.88 1bj4 h ILE 37 N 1.00 1.23 -0.34 -0.67 2.04 -0.98 -1.15 117.51 118.64 1bj4 h ILE 37 Ca 0.31 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1bj4 h ILE 37 Cb -0.01 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1bj4 h ILE 37 CO -0.11 0.28 0.17 0.11 0.00 0.00 0.00 178.15 178.61 1bj4 h LYS 38 N 0.70 0.49 -0.83 2.37 1.79 -0.31 0.23 116.57 121.01 1bj4 h LYS 38 Ca 0.17 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1bj4 h LYS 38 Cb 0.27 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1bj4 h LYS 38 CO -0.01 0.43 0.42 0.87 -1.08 0.00 0.00 179.45 180.08 1bj4 h LYS 39 N 0.42 1.18 -0.47 3.15 1.57 -0.35 -1.47 116.57 120.60 1bj4 h LYS 39 Ca 0.12 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1bj4 h LYS 39 Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1bj4 h LYS 39 CO -0.02 0.89 0.01 1.49 -0.57 0.00 0.00 179.45 181.25 1bj4 h GLU 40 N 1.17 0.83 -0.81 3.15 4.57 -0.85 0.66 114.58 123.30 1bj4 h GLU 40 Ca 0.29 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1bj4 h GLU 40 Cb 0.08 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1bj4 h GLU 40 CO -0.04 0.88 0.42 1.03 -1.18 0.00 0.00 179.01 180.11 1bj4 h SER 41 N 0.69 1.03 -0.30 1.04 0.87 -0.64 -0.22 113.55 116.02 1bj4 h SER 41 Ca 0.14 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1bj4 h SER 41 Cb 0.50 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1bj4 h SER 41 CO 0.02 0.85 -0.08 -1.13 -0.53 0.00 0.00 176.83 175.97 1bj4 h ASN 42 N 1.15 0.60 -0.70 6.23 -1.24 -1.02 -1.64 115.58 118.95 1bj4 h ASN 42 Ca 0.28 -0.37 0.03 0.00 0.71 0.00 0.00 56.30 56.95 1bj4 h ASN 42 Cb 0.07 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 1bj4 h ASN 42 CO -0.04 0.83 0.44 -0.09 -1.29 0.00 0.00 177.43 177.28 1bj4 h ARG 43 N 0.36 0.85 -0.22 6.67 2.43 -0.35 -1.52 114.38 122.60 1bj4 h ARG 43 Ca 0.08 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1bj4 h ARG 43 Cb 0.57 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1bj4 h ARG 43 CO 0.03 0.56 -0.26 1.96 -1.51 0.00 0.00 179.97 180.75 1bj4 h GLN 44 N 0.87 0.42 0.23 0.20 4.20 -0.95 -2.56 115.11 117.52 1bj4 h GLN 44 Ca 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1bj4 h GLN 44 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1bj4 h GLN 44 CO -0.10 0.65 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.51 1bj4 h ARG 45 N 0.37 -0.30 0.00 1.46 2.43 -0.51 -3.24 114.38 114.59 1bj4 h ARG 45 Ca 0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1bj4 h ARG 45 Cb 0.66 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1bj4 h ARG 45 CO 0.05 0.03 0.00 1.33 -1.51 0.00 0.00 179.97 179.87 1bj4 n VAL 46 N -5.08 0.00 -3.80 0.20 0.24 -0.65 -4.07 118.33 105.17 1bj4 n VAL 46 Ca -0.09 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.01 1bj4 n VAL 46 Cb 0.24 -0.50 -0.01 0.00 -1.47 0.00 0.00 33.84 32.09 1bj4 n VAL 46 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1bj4 s GLY 47 N -2.48 1.34 -0.49 7.63 0.00 -0.96 -3.89 107.32 108.45 1bj4 s GLY 47 Ca 0.31 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1bj4 s GLY 47 CO 0.45 -1.29 0.39 1.08 0.00 0.00 0.00 173.10 173.73 1bj4 s LEU 48 N -4.05 5.84 -0.49 0.66 1.43 -0.16 -4.88 118.68 117.04 1bj4 s LEU 48 Ca 0.38 -1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 51.31 1bj4 s LEU 48 Cb -0.09 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1bj4 s LEU 48 CO 0.30 -0.74 1.06 -0.70 0.23 0.00 0.00 176.35 176.50 1bj4 s GLU 49 N 1.41 3.61 -0.06 1.70 2.56 -1.26 -0.79 118.70 125.87 1bj4 s GLU 49 Ca 0.05 0.35 0.09 0.00 0.00 0.00 0.00 54.97 55.46 1bj4 s GLU 49 Cb -0.27 -3.93 0.14 0.00 2.00 0.00 0.00 34.13 32.07 1bj4 s GLU 49 CO 0.00 -1.36 1.05 1.28 -0.56 0.00 0.00 175.26 175.67 1bj4 n LEU 50 N 7.65 1.96 -4.65 2.70 4.77 0.64 -3.75 117.00 126.32 1bj4 n LEU 50 Ca 0.09 -2.37 -0.43 0.00 -0.03 0.00 0.00 56.01 53.27 1bj4 n LEU 50 Cb 0.49 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1bj4 n LEU 50 CO 0.69 0.56 1.03 -0.63 -1.33 0.00 0.00 177.39 177.71 1bj4 s ILE 51 N -1.80 4.39 0.43 -0.08 1.01 -1.10 -0.73 121.20 123.31 1bj4 s ILE 51 Ca 0.15 1.63 0.22 0.00 0.00 0.00 0.00 60.65 62.66 1bj4 s ILE 51 Cb 0.13 -4.23 0.43 0.00 0.01 0.00 0.00 42.46 38.80 1bj4 s ILE 51 CO 0.01 -0.34 1.77 0.00 0.00 0.00 0.00 174.94 176.38 1bj4 h ALA 52 N 8.31 2.42 -0.00 9.38 0.00 -1.81 -0.77 119.26 136.80 1bj4 h ALA 52 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bj4 h ALA 52 Cb 1.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bj4 h ALA 52 CO 1.01 -0.84 -0.02 -1.13 0.00 0.00 0.00 179.25 178.27 1bj4 n SER 53 N -4.56 0.10 -4.92 0.00 3.41 -1.26 -4.82 113.62 101.57 1bj4 n SER 53 Ca 0.26 -0.44 -0.26 0.00 -0.26 0.00 0.00 58.87 58.17 1bj4 n SER 53 Cb 0.99 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1bj4 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1bj4 s GLU 54 N -2.41 3.40 0.04 4.33 0.41 -0.29 -4.23 118.70 119.94 1bj4 s GLU 54 Ca 0.33 0.01 -0.17 0.00 -0.41 0.00 0.00 54.97 54.74 1bj4 s GLU 54 Cb 0.21 -2.43 0.06 0.00 -1.78 0.00 0.00 34.13 30.19 1bj4 s GLU 54 CO 0.44 -0.22 0.77 -1.71 -0.49 0.00 0.00 175.26 174.05 1bj4 n ASN 55 N -2.21 -0.93 -3.90 -0.19 2.85 -1.26 -3.78 115.26 105.84 1bj4 n ASN 55 Ca 0.00 -1.34 -0.27 0.00 -0.11 0.00 0.00 54.58 52.86 1bj4 n ASN 55 Cb 0.56 1.48 -0.17 0.00 1.24 0.00 0.00 39.78 42.89 1bj4 n ASN 55 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1bj4 s PHE 56 N -2.82 1.48 0.35 1.20 0.08 -1.26 -4.98 117.98 112.03 1bj4 s PHE 56 Ca 0.18 -0.75 -0.27 0.00 0.12 0.00 0.00 56.93 56.21 1bj4 s PHE 56 Cb -0.01 -1.23 -0.09 0.00 -0.57 0.00 0.00 43.02 41.12 1bj4 s PHE 56 CO 0.01 -0.52 1.15 0.00 -0.10 0.00 0.00 175.22 175.76 1bj4 s ALA 57 N 1.71 3.29 0.80 5.36 0.00 -1.26 -4.90 121.76 126.75 1bj4 s ALA 57 Ca 0.05 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1bj4 s ALA 57 Cb -0.13 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1bj4 s ALA 57 CO -0.08 -0.37 1.12 -1.54 0.00 0.00 0.00 175.76 174.89 1bj4 s SER 58 N -1.00 4.08 0.21 0.00 1.04 -1.26 -4.07 113.70 112.70 1bj4 s SER 58 Ca 0.51 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.86 1bj4 s SER 58 Cb -0.31 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.41 1bj4 s SER 58 CO 0.40 -2.33 1.77 -0.09 0.98 0.00 0.00 173.24 173.97 1bj4 h ARG 59 N -1.13 1.16 -0.90 4.02 1.12 -1.93 -2.19 114.38 114.53 1bj4 h ARG 59 Ca -0.44 -0.22 0.06 0.00 -1.11 0.00 0.00 59.98 58.27 1bj4 h ARG 59 Cb 1.25 -0.18 -0.06 0.00 -0.01 0.00 0.00 29.97 30.96 1bj4 h ARG 59 CO 0.49 0.96 0.57 0.00 -3.11 0.00 0.00 179.97 178.87 1bj4 h ALA 60 N 1.15 1.24 -0.15 2.80 0.00 -1.92 -1.05 119.26 121.33 1bj4 h ALA 60 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1bj4 h ALA 60 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bj4 h ALA 60 CO -0.02 0.34 -0.08 0.28 0.00 0.00 0.00 179.25 179.77 1bj4 h VAL 61 N 1.04 1.32 -0.37 0.00 2.07 -1.82 -2.98 116.25 115.52 1bj4 h VAL 61 Ca 0.39 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1bj4 h VAL 61 Cb 0.15 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1bj4 h VAL 61 CO -0.17 0.34 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 1bj4 h LEU 62 N -0.01 0.44 -0.70 2.57 3.38 -1.02 -2.30 115.31 117.66 1bj4 h LEU 62 Ca 0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1bj4 h LEU 62 Cb 0.56 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1bj4 h LEU 62 CO 0.02 0.34 -0.09 -0.33 0.09 0.00 0.00 178.44 178.48 1bj4 h GLU 63 N 0.51 0.91 -0.32 1.13 5.08 -1.15 -2.73 114.58 118.01 1bj4 h GLU 63 Ca 0.13 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1bj4 h GLU 63 Cb -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1bj4 h GLU 63 CO -0.03 0.96 0.10 0.00 -1.00 0.00 0.00 179.01 179.04 1bj4 h ALA 64 N 1.07 1.57 -0.36 3.43 0.00 -1.26 -2.78 119.26 120.94 1bj4 h ALA 64 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bj4 h ALA 64 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1bj4 h ALA 64 CO 0.04 0.33 0.09 -0.07 0.00 0.00 0.00 179.25 179.64 1bj4 h LEU 65 N 0.46 0.48 -1.03 0.00 3.38 -1.31 -2.64 115.31 114.64 1bj4 h LEU 65 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bj4 h LEU 65 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bj4 h LEU 65 CO -0.01 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1bj4 n GLY 66 N -1.08 0.29 3.78 0.83 0.00 -1.05 -4.84 105.19 103.11 1bj4 n GLY 66 Ca 0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1bj4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bj4 s SER 67 N -1.11 3.57 0.00 1.61 1.04 -1.00 -4.91 113.70 112.90 1bj4 s SER 67 Ca 0.22 1.04 0.08 0.00 0.48 0.00 0.00 55.95 57.77 1bj4 s SER 67 Cb 0.11 -1.65 0.39 0.00 0.10 0.00 0.00 66.02 64.96 1bj4 s SER 67 CO 0.15 -2.52 1.13 0.00 0.98 0.00 0.00 173.24 172.98 1bj4 h LEU 69 N 0.00 0.00 -1.51 0.00 3.38 -1.91 -2.45 115.31 112.83 1bj4 h LEU 69 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1bj4 h LEU 69 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1bj4 h LEU 69 CO 0.00 0.00 0.34 0.78 0.09 0.00 0.00 178.44 179.65 1bj4 h ASN 70 N 0.00 0.57 0.55 -0.43 2.35 -1.81 -3.22 115.58 113.59 1bj4 h ASN 70 Ca 0.00 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1bj4 h ASN 70 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1bj4 h ASN 70 CO 0.00 0.40 -0.72 0.78 -1.65 0.00 0.00 177.43 176.24 1bj4 h ASN 71 N 0.67 0.17 -3.00 5.81 2.35 -1.71 -3.46 115.58 116.40 1bj4 h ASN 71 Ca 0.20 -0.12 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 1bj4 h ASN 71 Cb -0.02 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1bj4 h ASN 71 CO -0.05 0.83 0.82 -0.75 -1.65 0.00 0.00 177.43 176.64 1bj4 s LYS 72 N -3.47 4.27 -0.19 0.81 2.47 -1.22 -5.01 119.74 117.41 1bj4 s LYS 72 Ca -0.02 1.59 -0.25 0.00 -1.56 0.00 0.00 55.97 55.73 1bj4 s LYS 72 Cb 0.11 -3.68 -0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1bj4 s LYS 72 CO 0.80 -0.61 0.81 -0.47 0.16 0.00 0.00 175.35 176.03 1bj4 s TYR 73 N 3.08 3.39 -0.33 4.03 6.14 -1.26 -4.78 117.35 127.62 1bj4 s TYR 73 Ca 0.53 1.18 0.15 0.00 0.64 0.00 0.00 57.07 59.57 1bj4 s TYR 73 Cb -0.21 -3.00 0.46 0.00 0.42 0.00 0.00 41.96 39.64 1bj4 s TYR 73 CO 0.15 -0.27 1.04 -1.13 0.64 0.00 0.00 175.55 175.97 1bj4 n SER 74 N 5.41 2.44 -4.62 4.32 3.41 -1.26 -4.84 113.62 118.47 1bj4 n SER 74 Ca 0.04 -2.87 -0.48 0.00 -0.26 0.00 0.00 58.87 55.30 1bj4 n SER 74 Cb 0.49 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1bj4 n SER 74 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bj4 n GLU 75 N -0.31 1.57 0.00 4.33 1.02 -1.26 -4.59 120.64 121.40 1bj4 n GLU 75 Ca 0.18 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1bj4 n GLU 75 Cb 0.79 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1bj4 n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bj4 n GLY 76 N 2.58 -0.10 3.27 0.62 0.00 -1.26 -1.32 105.19 108.97 1bj4 n GLY 76 Ca 0.16 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1bj4 n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj4 s TYR 77 N 0.00 1.33 0.10 1.61 2.02 -0.85 -4.93 117.35 116.63 1bj4 s TYR 77 Ca 0.00 -1.02 -0.34 0.00 -0.37 0.00 0.00 57.07 55.34 1bj4 s TYR 77 Cb 0.00 -0.76 -0.13 0.00 -0.40 0.00 0.00 41.96 40.67 1bj4 s TYR 77 CO 0.00 -0.20 1.68 -2.30 -1.57 0.00 0.00 175.55 173.16 1bj4 n PRO 78 N -0.31 2.23 -1.01 -1.71 -0.02 -1.26 -0.32 135.00 132.60 1bj4 n PRO 78 Ca -0.05 0.81 -0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1bj4 n PRO 78 Cb 0.64 -2.61 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1bj4 n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj4 n GLY 79 N 3.75 0.47 2.70 -1.23 0.00 -1.26 -4.84 105.19 104.77 1bj4 n GLY 79 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1bj4 n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bj4 n GLN 80 N -2.68 1.21 -2.92 1.61 7.27 0.56 -5.15 117.38 117.29 1bj4 n GLN 80 Ca -0.00 -1.89 -0.26 0.00 0.07 0.00 0.00 57.00 54.92 1bj4 n GLN 80 Cb 0.05 -0.10 -0.01 0.00 2.41 0.00 0.00 30.24 32.60 1bj4 n GLN 80 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1bj4 s ARG 81 N -0.06 3.52 -0.18 3.69 1.81 -1.05 -2.01 118.95 124.68 1bj4 s ARG 81 Ca 0.21 0.00 -0.19 0.00 -1.72 0.00 0.00 55.73 54.03 1bj4 s ARG 81 Cb 0.41 -2.48 -0.21 0.00 -0.45 0.00 0.00 34.95 32.21 1bj4 s ARG 81 CO -0.08 -0.07 0.30 1.88 -0.68 0.00 0.00 175.30 176.65 1bj4 h TYR 82 N 0.44 0.11 -2.17 -0.53 -1.99 -1.53 -3.48 116.97 107.82 1bj4 h TYR 82 Ca -0.48 -0.08 -0.45 0.00 2.00 0.00 0.00 58.73 59.72 1bj4 h TYR 82 Cb 1.21 -0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.94 1bj4 h TYR 82 CO 0.56 1.51 -0.30 0.71 -0.00 0.00 0.00 178.16 180.64 1bj4 s TYR 83 N -2.39 3.26 0.23 4.88 2.02 -1.26 -5.09 117.35 118.99 1bj4 s TYR 83 Ca -0.27 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1bj4 s TYR 83 Cb 0.05 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1bj4 s TYR 83 CO 0.64 0.05 0.32 0.41 -1.57 0.00 0.00 175.55 175.40 1bj4 n GLY 84 N -1.68 1.08 2.98 0.71 0.00 -1.26 -4.74 105.19 102.28 1bj4 n GLY 84 Ca -0.03 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1bj4 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj4 n GLY 85 N 2.47 -0.20 0.13 -0.02 0.00 -1.26 -4.96 105.19 101.36 1bj4 n GLY 85 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1bj4 n GLY 85 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj4 n THR 86 N -3.80 1.89 -0.08 2.61 -2.24 -1.26 -4.77 114.28 106.63 1bj4 n THR 86 Ca -0.15 -2.20 0.11 0.00 -2.27 0.00 0.00 64.05 59.54 1bj4 n THR 86 Cb 0.60 -0.22 0.48 0.00 -2.10 0.00 0.00 70.33 69.10 1bj4 n THR 86 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1bj4 h GLU 87 N 0.15 0.44 0.08 -0.78 4.11 -1.98 0.60 114.58 117.19 1bj4 h GLU 87 Ca 0.00 -0.03 -0.29 0.00 0.07 0.00 0.00 59.36 59.11 1bj4 h GLU 87 Cb 1.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1bj4 h GLU 87 CO 0.02 0.29 -1.50 0.74 0.07 0.00 0.00 179.01 178.63 1bj4 h PHE 88 N 0.45 0.30 -0.29 2.06 0.04 -1.99 -2.69 116.94 114.82 1bj4 h PHE 88 Ca 0.26 -0.22 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 1bj4 h PHE 88 Cb 0.45 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1bj4 h PHE 88 CO -0.00 1.27 -0.35 0.82 -0.60 0.00 0.00 178.31 179.45 1bj4 h ILE 89 N 0.05 1.29 -0.33 -0.55 1.08 -1.69 -1.69 117.51 115.66 1bj4 h ILE 89 Ca -0.22 -1.49 -0.12 0.00 -0.39 0.00 0.00 64.86 62.63 1bj4 h ILE 89 Cb 1.98 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.16 1bj4 h ILE 89 CO 0.14 0.48 -0.29 0.44 -0.69 0.00 0.00 178.15 178.23 1bj4 h ASP 90 N 0.54 0.72 -0.54 1.72 3.32 0.10 -0.62 116.42 121.65 1bj4 h ASP 90 Ca 0.06 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1bj4 h ASP 90 Cb 0.86 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1bj4 h ASP 90 CO 0.07 0.97 0.25 -0.33 -1.72 0.00 0.00 179.24 178.48 1bj4 h GLU 91 N 0.60 0.79 -0.00 3.56 5.08 -1.18 -1.68 114.58 121.74 1bj4 h GLU 91 Ca 0.07 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bj4 h GLU 91 Cb 0.80 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1bj4 h GLU 91 CO 0.07 0.67 0.00 1.25 -1.00 0.00 0.00 179.01 179.99 1bj4 h LEU 92 N 0.73 0.01 -0.75 1.33 5.85 -1.06 -1.55 115.31 119.87 1bj4 h LEU 92 Ca 0.18 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1bj4 h LEU 92 Cb 0.15 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1bj4 h LEU 92 CO -0.02 0.31 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.29 1bj4 h GLU 93 N -0.30 0.93 -0.07 1.25 4.81 -1.10 0.75 114.58 120.85 1bj4 h GLU 93 Ca 0.00 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1bj4 h GLU 93 Cb 0.31 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1bj4 h GLU 93 CO 0.00 0.93 -0.45 1.15 -0.73 0.00 0.00 179.01 179.91 1bj4 h THR 94 N 0.86 1.33 -0.10 0.32 2.02 -1.34 -2.05 112.91 113.95 1bj4 h THR 94 Ca 0.16 -1.60 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 1bj4 h THR 94 Cb 0.53 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1bj4 h THR 94 CO 0.03 0.47 -0.35 0.25 0.37 0.00 0.00 175.52 176.29 1bj4 h LEU 95 N 0.14 0.49 -0.95 2.58 5.85 -0.87 -2.04 115.31 120.51 1bj4 h LEU 95 Ca 0.01 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.13 1bj4 h LEU 95 Cb 0.86 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1bj4 h LEU 95 CO 0.07 1.02 0.62 0.00 -0.34 0.00 0.00 178.44 179.81 1bj4 h GLN 97 N 1.26 0.00 -0.37 0.00 3.07 -1.41 -1.25 115.11 116.42 1bj4 h GLN 97 Ca 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.04 1bj4 h GLN 97 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.44 1bj4 h GLN 97 CO -0.09 0.66 0.01 -0.22 0.09 0.00 0.00 178.83 179.29 1bj4 h LYS 98 N 0.00 0.64 -0.54 0.06 3.64 -0.83 -2.18 116.57 117.37 1bj4 h LYS 98 Ca -0.01 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1bj4 h LYS 98 Cb 1.41 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1bj4 h LYS 98 CO 0.09 0.74 -0.04 0.00 -2.27 0.00 0.00 179.45 177.96 1bj4 h ARG 99 N 0.46 0.98 -0.90 1.90 3.08 -1.04 -2.43 114.38 116.43 1bj4 h ARG 99 Ca 0.11 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.87 1bj4 h ARG 99 Cb 0.45 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1bj4 h ARG 99 CO 0.02 1.00 0.58 0.00 -1.07 0.00 0.00 179.97 180.50 1bj4 h ALA 100 N 0.94 1.22 -0.29 0.04 0.00 -1.05 0.11 119.26 120.22 1bj4 h ALA 100 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1bj4 h ALA 100 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bj4 h ALA 100 CO 0.04 0.39 -0.34 -0.07 0.00 0.00 0.00 179.25 179.26 1bj4 h LEU 101 N 1.09 0.66 -0.14 0.00 3.38 -1.22 -3.20 115.31 115.88 1bj4 h LEU 101 Ca 0.37 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1bj4 h LEU 101 Cb 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1bj4 h LEU 101 CO -0.14 0.95 -0.05 1.56 0.09 0.00 0.00 178.44 180.85 1bj4 h GLN 102 N 0.54 0.28 -0.85 1.13 4.20 -0.90 0.28 115.11 119.79 1bj4 h GLN 102 Ca 0.06 -0.11 0.25 0.00 0.06 0.00 0.00 58.65 58.90 1bj4 h GLN 102 Cb 0.85 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1bj4 h GLN 102 CO 0.07 0.59 0.69 0.00 -0.67 0.00 0.00 178.83 179.51 1bj4 h ALA 103 N 0.68 2.73 -0.29 3.87 0.00 -0.99 0.25 119.26 125.50 1bj4 h ALA 103 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bj4 h ALA 103 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bj4 h ALA 103 CO 0.02 -1.12 0.00 0.66 0.00 0.00 0.00 179.25 178.80 1bj4 n TYR 104 N -4.01 0.43 -3.58 0.00 4.01 -1.16 -4.68 117.16 108.19 1bj4 n TYR 104 Ca 0.18 -0.54 -0.26 0.00 -0.16 0.00 0.00 57.90 57.12 1bj4 n TYR 104 Cb 0.98 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 40.00 1bj4 n TYR 104 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bj4 n LYS 105 N 0.27 -1.35 -4.71 -0.72 5.02 0.87 -4.98 118.16 112.56 1bj4 n LYS 105 Ca 0.11 0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1bj4 n LYS 105 Cb 0.44 -4.30 -0.13 0.00 -0.02 0.00 0.00 35.03 31.02 1bj4 n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bj4 s LEU 106 N -5.92 2.87 -0.16 -0.35 1.43 0.03 -5.03 118.68 111.56 1bj4 s LEU 106 Ca 0.37 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1bj4 s LEU 106 Cb -0.12 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1bj4 s LEU 106 CO 0.84 0.21 1.38 -0.62 0.23 0.00 0.00 176.35 178.39 1bj4 s ASP 107 N 0.08 6.82 0.61 2.29 2.15 -1.26 -4.69 116.67 122.67 1bj4 s ASP 107 Ca -0.04 1.77 0.29 0.00 0.43 0.00 0.00 52.55 54.99 1bj4 s ASP 107 Cb -0.14 -2.54 1.50 0.00 -0.30 0.00 0.00 42.92 41.44 1bj4 s ASP 107 CO 0.04 -0.86 1.89 -0.65 -0.17 0.00 0.00 175.17 175.42 1bj4 h PRO 108 N 8.79 0.00 0.00 4.34 0.11 -1.96 0.34 132.00 143.62 1bj4 h PRO 108 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1bj4 h PRO 108 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bj4 h PRO 108 CO 0.97 0.00 -0.08 1.96 -0.21 0.00 0.00 178.00 180.64 1bj4 h GLN 109 N 0.00 0.00 0.00 1.05 4.20 -1.96 -3.32 115.11 115.08 1bj4 h GLN 109 Ca 0.14 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1bj4 h GLN 109 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1bj4 h GLN 109 CO -0.00 0.00 -1.71 0.00 -0.67 0.00 0.00 178.83 176.45 1bj4 s TRP 111 N -2.85 0.91 0.16 0.00 0.52 0.19 0.43 118.94 118.31 1bj4 s TRP 111 Ca -0.06 -0.57 -0.00 0.00 0.02 0.00 0.00 56.10 55.49 1bj4 s TRP 111 Cb 0.08 -0.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.84 1bj4 s TRP 111 CO 0.58 -0.04 0.06 0.20 0.02 0.00 0.00 176.95 177.78 1bj4 s GLY 112 N -1.98 1.15 -0.07 0.98 0.00 0.09 -4.39 107.32 103.10 1bj4 s GLY 112 Ca -0.02 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.02 1bj4 s GLY 112 CO 0.00 -1.41 0.30 0.54 0.00 0.00 0.00 173.10 172.53 1bj4 s VAL 113 N -3.98 0.03 -0.22 1.40 0.11 -1.26 -1.12 120.40 115.36 1bj4 s VAL 113 Ca 0.27 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1bj4 s VAL 113 Cb 0.07 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1bj4 s VAL 113 CO 0.04 -0.13 -0.02 0.21 -3.33 0.00 0.00 175.10 171.87 1bj4 s ASN 114 N -0.54 4.45 -0.14 3.54 3.84 0.55 -4.97 114.94 121.67 1bj4 s ASN 114 Ca -0.07 -0.35 0.16 0.00 0.21 0.00 0.00 52.86 52.81 1bj4 s ASN 114 Cb -0.04 -1.77 0.63 0.00 -0.55 0.00 0.00 41.25 39.53 1bj4 s ASN 114 CO 0.02 -0.01 1.55 1.33 -2.79 0.00 0.00 177.10 177.20 1bj4 n VAL 115 N 4.76 2.07 0.10 -5.21 0.24 -1.26 -1.29 118.33 117.74 1bj4 n VAL 115 Ca -0.18 -1.42 0.07 0.00 -2.04 0.00 0.00 64.34 60.77 1bj4 n VAL 115 Cb 0.51 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1bj4 n VAL 115 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1bj4 h GLN 116 N 3.13 0.00 -6.22 7.34 4.20 -1.95 -3.46 115.11 118.15 1bj4 h GLN 116 Ca 0.00 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.00 1bj4 h GLN 116 Cb 1.47 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.30 1bj4 h GLN 116 CO 0.26 0.17 0.50 -2.30 -0.67 0.00 0.00 178.83 176.78 1bj4 n PRO 117 N -2.89 1.01 0.26 1.46 -0.02 -1.24 -4.76 135.00 128.82 1bj4 n PRO 117 Ca -0.02 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 1bj4 n PRO 117 Cb 0.67 -2.00 0.70 0.00 -0.02 0.00 0.00 33.50 32.84 1bj4 n PRO 117 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1bj4 h TYR 118 N 4.91 0.00 -1.74 6.00 0.05 -1.92 -1.74 116.97 122.53 1bj4 h TYR 118 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1bj4 h TYR 118 Cb 1.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.08 1bj4 h TYR 118 CO 0.63 0.06 0.00 0.45 -1.05 0.00 0.00 178.16 178.25 1bj4 n SER 119 N -4.16 0.00 -0.04 3.88 2.88 -1.26 -3.72 113.62 111.20 1bj4 n SER 119 Ca -0.03 -0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 56.49 1bj4 n SER 119 Cb 0.15 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.53 1bj4 n SER 119 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1bj4 h GLY 120 N 0.00 0.28 0.81 0.46 0.00 -1.84 -2.97 103.07 99.82 1bj4 h GLY 120 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1bj4 h GLY 120 CO 0.00 0.27 0.33 1.76 0.00 0.00 0.00 176.54 178.89 1bj4 h SER 121 N -0.17 0.51 0.23 0.19 0.02 -1.95 -1.60 113.55 110.79 1bj4 h SER 121 Ca 0.01 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1bj4 h SER 121 Cb 0.66 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1bj4 h SER 121 CO 0.03 0.35 -0.17 -0.65 -1.14 0.00 0.00 176.83 175.25 1bj4 h PRO 122 N 0.64 0.00 0.00 3.45 0.11 -1.96 -1.89 132.00 132.35 1bj4 h PRO 122 Ca 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1bj4 h PRO 122 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1bj4 h PRO 122 CO -0.12 0.17 -0.00 0.00 -0.21 0.00 0.00 178.00 177.84 1bj4 h ALA 123 N 1.83 -0.01 0.15 -0.75 0.00 -1.15 -1.58 119.26 117.76 1bj4 h ALA 123 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1bj4 h ALA 123 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bj4 h ALA 123 CO 0.02 -0.37 -0.07 -0.91 0.00 0.00 0.00 179.25 177.92 1bj4 h ASN 124 N -0.28 -0.17 -0.72 0.00 2.35 -1.07 -2.62 115.58 113.07 1bj4 h ASN 124 Ca -0.00 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1bj4 h ASN 124 Cb 0.28 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1bj4 h ASN 124 CO 0.00 -0.12 0.47 0.15 -1.65 0.00 0.00 177.43 176.28 1bj4 h PHE 125 N -0.20 0.82 -0.61 1.19 3.57 -1.37 -1.15 116.94 119.18 1bj4 h PHE 125 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1bj4 h PHE 125 Cb 0.16 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1bj4 h PHE 125 CO -0.07 0.47 0.40 0.00 -2.23 0.00 0.00 178.31 176.87 1bj4 h ALA 126 N 1.59 0.78 -0.35 2.41 0.00 -0.99 -0.80 119.26 121.89 1bj4 h ALA 126 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1bj4 h ALA 126 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1bj4 h ALA 126 CO -0.09 0.22 0.13 0.28 0.00 0.00 0.00 179.25 179.79 1bj4 h VAL 127 N 0.83 1.20 -0.40 0.00 2.07 -0.88 -1.90 116.25 117.16 1bj4 h VAL 127 Ca 0.22 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1bj4 h VAL 127 Cb -0.08 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1bj4 h VAL 127 CO -0.05 0.21 0.24 1.88 0.02 0.00 0.00 177.57 179.88 1bj4 h TYR 128 N 0.42 0.52 -0.92 1.57 0.05 -1.10 -0.18 116.97 117.32 1bj4 h TYR 128 Ca 0.12 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.99 1bj4 h TYR 128 Cb 0.21 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 37.71 1bj4 h TYR 128 CO 0.00 0.37 0.59 1.15 -1.05 0.00 0.00 178.16 179.23 1bj4 h THR 129 N 0.52 0.97 0.10 -2.88 2.02 -0.95 0.19 112.91 112.89 1bj4 h THR 129 Ca 0.14 -0.32 -0.29 0.00 0.77 0.00 0.00 66.41 66.71 1bj4 h THR 129 Cb -0.00 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 1bj4 h THR 129 CO -0.03 0.17 -1.43 0.00 0.37 0.00 0.00 175.52 174.60 1bj4 h ALA 130 N 1.54 0.27 0.00 6.16 0.00 -0.75 -3.33 119.26 123.15 1bj4 h ALA 130 Ca 0.43 -1.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1bj4 h ALA 130 Cb 0.39 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1bj4 h ALA 130 CO -0.19 1.14 -1.72 1.28 0.00 0.00 0.00 179.25 179.76 1bj4 n LEU 131 N -3.44 0.62 -0.01 0.00 4.77 -0.13 -4.75 117.00 114.06 1bj4 n LEU 131 Ca -0.13 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.62 1bj4 n LEU 131 Cb 1.03 0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 42.09 1bj4 n LEU 131 CO 0.51 0.35 -0.63 0.58 -1.33 0.00 0.00 177.39 176.87 1bj4 h VAL 132 N 0.00 0.81 -1.80 4.08 2.07 -0.84 -3.50 116.25 117.08 1bj4 h VAL 132 Ca -0.28 -2.34 0.05 0.00 0.82 0.00 0.00 66.70 64.95 1bj4 h VAL 132 Cb 1.60 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 33.87 1bj4 h VAL 132 CO 0.00 0.74 -0.52 -0.62 0.02 0.00 0.00 177.57 177.19 1bj4 n GLU 133 N -3.79 -1.90 -1.60 1.57 1.02 -0.45 -4.11 120.64 111.39 1bj4 n GLU 133 Ca -0.30 1.50 -0.61 0.00 -0.02 0.00 0.00 57.16 57.74 1bj4 n GLU 133 Cb 0.94 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 1bj4 n GLU 133 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1bj4 n PRO 134 N -2.39 0.18 -0.89 3.49 -0.02 -1.26 -0.69 135.00 133.42 1bj4 n PRO 134 Ca -0.01 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1bj4 n PRO 134 Cb 0.27 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1bj4 n PRO 134 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bj4 n HIS 135 N 2.60 0.00 -2.10 6.00 8.25 0.50 -4.99 115.22 125.49 1bj4 n HIS 135 Ca 0.24 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.35 1bj4 n HIS 135 Cb 0.05 -0.80 0.02 0.00 1.12 0.00 0.00 29.99 30.38 1bj4 n HIS 135 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bj4 s GLY 136 N -2.00 2.52 0.08 -1.41 0.00 0.13 -4.03 107.32 102.62 1bj4 s GLY 136 Ca 0.00 0.77 -0.25 0.00 0.00 0.00 0.00 44.72 45.24 1bj4 s GLY 136 CO 0.00 1.13 0.77 0.50 0.00 0.00 0.00 173.10 175.50 1bj4 s ARG 137 N -3.50 4.51 -0.01 2.90 0.52 -1.26 -0.91 118.95 121.20 1bj4 s ARG 137 Ca 0.72 1.09 0.03 0.00 -0.52 0.00 0.00 55.73 57.04 1bj4 s ARG 137 Cb -0.24 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 1bj4 s ARG 137 CO 0.31 0.38 -0.10 0.42 0.02 0.00 0.00 175.30 176.33 1bj4 s ILE 138 N -0.40 0.77 -0.12 1.52 1.01 -0.02 -0.43 121.20 123.52 1bj4 s ILE 138 Ca 0.38 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1bj4 s ILE 138 Cb -0.21 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1bj4 s ILE 138 CO 0.24 0.22 -0.18 -0.04 0.00 0.00 0.00 174.94 175.18 1bj4 s MET 139 N -0.17 2.54 0.19 2.79 -1.94 -0.82 -1.50 119.30 120.40 1bj4 s MET 139 Ca 0.03 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 1bj4 s MET 139 Cb -0.04 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 1bj4 s MET 139 CO -0.00 -0.03 0.08 0.20 -0.01 0.00 0.00 175.02 175.25 1bj4 s GLY 140 N 0.89 1.34 0.28 -0.03 0.00 -1.22 -0.79 107.32 107.78 1bj4 s GLY 140 Ca -0.07 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 42.69 1bj4 s GLY 140 CO -0.01 -1.46 1.48 -2.27 0.00 0.00 0.00 173.10 170.84 1bj4 s LEU 141 N -3.17 4.37 0.44 0.66 2.96 -1.26 -1.00 118.68 121.68 1bj4 s LEU 141 Ca 0.32 2.78 -0.25 0.00 -0.22 0.00 0.00 54.13 56.76 1bj4 s LEU 141 Cb 0.07 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 1bj4 s LEU 141 CO 0.08 -0.76 1.25 -0.67 -1.32 0.00 0.00 176.35 174.93 1bj4 n ASP 142 N 2.06 2.42 0.07 3.68 -0.08 -0.28 -4.09 116.55 120.33 1bj4 n ASP 142 Ca 0.06 1.08 -0.12 0.00 -1.51 0.00 0.00 54.79 54.31 1bj4 n ASP 142 Cb 0.39 -1.49 -0.05 0.00 2.34 0.00 0.00 41.12 42.31 1bj4 n ASP 142 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1bj4 h LEU 143 N 1.93 -0.84 0.00 -2.67 5.85 -1.83 -0.22 115.31 117.54 1bj4 h LEU 143 Ca -0.48 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1bj4 h LEU 143 Cb 1.30 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1bj4 h LEU 143 CO 0.59 -0.35 0.00 -0.81 -0.34 0.00 0.00 178.44 177.53 1bj4 n PRO 144 N -5.39 0.04 -0.48 5.25 -0.04 -1.26 -1.54 135.00 131.57 1bj4 n PRO 144 Ca -0.05 0.29 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1bj4 n PRO 144 Cb 0.30 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.60 1bj4 n PRO 144 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bj4 n ASP 145 N -1.44 4.31 0.00 3.54 9.92 -0.68 -4.60 116.55 127.59 1bj4 n ASP 145 Ca 0.03 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1bj4 n ASP 145 Cb 0.11 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1bj4 n ASP 145 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bj4 n GLY 146 N 1.34 1.09 3.95 0.44 0.00 -0.59 -4.83 105.19 106.59 1bj4 n GLY 146 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1bj4 n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bj4 s GLY 147 N -2.00 1.75 0.13 -0.02 0.00 -0.18 -0.17 107.32 106.82 1bj4 s GLY 147 Ca 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 44.72 43.53 1bj4 s GLY 147 CO 0.00 -0.63 -0.08 -1.58 0.00 0.00 0.00 173.10 170.80 1bj4 s HIS 148 N -3.55 2.74 0.32 1.90 2.46 -1.26 -4.45 115.29 113.44 1bj4 s HIS 148 Ca 0.69 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 56.13 1bj4 s HIS 148 Cb -0.06 -1.40 0.79 0.00 -0.13 0.00 0.00 32.58 31.78 1bj4 s HIS 148 CO 0.49 0.46 1.78 -0.07 -2.47 0.00 0.00 174.74 174.93 1bj4 h LEU 149 N 3.36 0.74 0.00 8.88 3.38 -1.96 0.17 115.31 129.88 1bj4 h LEU 149 Ca -0.48 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1bj4 h LEU 149 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1bj4 h LEU 149 CO 0.53 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.67 1bj4 n THR 150 N -4.74 1.29 1.40 0.22 -2.24 -1.26 -1.16 114.28 107.79 1bj4 n THR 150 Ca 0.23 0.32 0.14 0.00 -2.27 0.00 0.00 64.05 62.47 1bj4 n THR 150 Cb 0.60 -1.15 0.48 0.00 -2.10 0.00 0.00 70.33 68.17 1bj4 n THR 150 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1bj4 n HIS 151 N -1.50 0.00 0.00 4.78 8.25 0.60 -4.82 115.22 122.54 1bj4 n HIS 151 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1bj4 n HIS 151 Cb 0.12 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1bj4 n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bj4 n GLY 152 N 1.25 3.16 3.59 -1.41 0.00 -0.31 -4.04 105.19 107.42 1bj4 n GLY 152 Ca 0.16 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 1bj4 n GLY 152 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bj4 s PHE 153 N -0.70 -1.03 0.12 1.61 5.36 -1.26 -4.67 117.98 117.42 1bj4 s PHE 153 Ca 0.00 1.86 -0.19 0.00 -0.96 0.00 0.00 56.93 57.64 1bj4 s PHE 153 Cb 0.00 0.62 0.05 0.00 -0.34 0.00 0.00 43.02 43.34 1bj4 s PHE 153 CO 0.00 -0.51 0.48 0.00 -1.46 0.00 0.00 175.22 173.73 1bj4 s MET 154 N 2.32 1.12 0.31 10.12 0.23 -1.26 -1.47 119.30 130.67 1bj4 s MET 154 Ca -0.06 -0.56 0.01 0.00 -1.03 0.00 0.00 55.69 54.04 1bj4 s MET 154 Cb -0.08 0.51 -0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1bj4 s MET 154 CO -0.18 -0.45 0.03 0.25 -2.03 0.00 0.00 175.02 172.63 1bj4 n THR 155 N -0.17 0.00 0.24 3.16 -2.24 0.10 -4.95 114.28 110.42 1bj4 n THR 155 Ca -0.17 -1.53 0.07 0.00 -2.27 0.00 0.00 64.05 60.16 1bj4 n THR 155 Cb 0.64 0.37 0.58 0.00 -2.10 0.00 0.00 70.33 69.82 1bj4 n THR 155 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bj4 h ASP 156 N 0.85 0.00 0.06 3.42 3.32 -2.05 -3.26 116.42 118.76 1bj4 h ASP 156 Ca -0.25 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.52 1bj4 h ASP 156 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1bj4 h ASP 156 CO 0.41 0.14 -1.49 0.11 -1.72 0.00 0.00 179.24 176.70 1bj4 h LYS 157 N 0.00 0.13 -3.13 3.56 1.57 -2.05 -3.50 116.57 113.15 1bj4 h LYS 157 Ca -0.00 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1bj4 h LYS 157 Cb 0.27 0.08 -0.15 0.00 0.08 0.00 0.00 32.23 32.51 1bj4 h LYS 157 CO 0.02 1.11 -0.08 -1.59 -0.57 0.00 0.00 179.45 178.34 1bj4 s LYS 158 N -2.44 0.98 -0.31 3.15 -2.85 -1.23 -5.11 119.74 111.92 1bj4 s LYS 158 Ca -0.25 -0.47 -0.26 0.00 -1.00 0.00 0.00 55.97 54.00 1bj4 s LYS 158 Cb 0.06 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1bj4 s LYS 158 CO 0.68 -0.35 0.90 0.15 0.10 0.00 0.00 175.35 176.83 1bj4 s LYS 159 N -2.92 4.00 -0.21 1.78 3.01 -1.26 -0.72 119.74 123.42 1bj4 s LYS 159 Ca -0.03 0.78 -0.19 0.00 -1.01 0.00 0.00 55.97 55.52 1bj4 s LYS 159 Cb 0.00 -3.73 -0.16 0.00 -1.01 0.00 0.00 37.83 32.93 1bj4 s LYS 159 CO -0.06 -0.76 0.10 -0.89 0.51 0.00 0.00 175.35 174.25 1bj4 n ILE 160 N 5.65 1.52 -2.67 2.17 5.41 -0.54 -4.72 119.36 126.18 1bj4 n ILE 160 Ca 0.07 -0.04 -0.34 0.00 1.00 0.00 0.00 62.75 63.43 1bj4 n ILE 160 Cb 0.48 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 1bj4 n ILE 160 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1bj4 s SER 161 N -6.81 6.77 0.54 4.38 0.15 -0.93 -4.92 113.70 112.88 1bj4 s SER 161 Ca -0.29 1.85 0.21 0.00 0.70 0.00 0.00 55.95 58.43 1bj4 s SER 161 Cb 0.07 -2.56 1.43 0.00 -1.71 0.00 0.00 66.02 63.25 1bj4 s SER 161 CO 0.54 -0.48 2.13 0.00 1.20 0.00 0.00 173.24 176.63 1bj4 h ALA 162 N 2.07 1.99 -0.63 5.45 0.00 -1.91 -0.42 119.26 125.81 1bj4 h ALA 162 Ca -0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1bj4 h ALA 162 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1bj4 h ALA 162 CO 0.61 -0.15 0.26 1.15 0.00 0.00 0.00 179.25 181.11 1bj4 h THR 163 N 0.00 1.23 0.00 0.00 2.02 -1.87 -1.13 112.91 113.16 1bj4 h THR 163 Ca 0.06 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.36 1bj4 h THR 163 Cb 0.24 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1bj4 h THR 163 CO -0.00 0.29 -0.72 0.28 0.37 0.00 0.00 175.52 175.73 1bj4 h SER 164 N 0.88 0.00 -0.23 4.18 0.02 -1.34 -1.36 113.55 115.70 1bj4 h SER 164 Ca 0.21 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 1bj4 h SER 164 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1bj4 h SER 164 CO -0.02 0.72 -0.17 0.40 -1.14 0.00 0.00 176.83 176.62 1bj4 h ILE 165 N 0.00 1.31 0.00 3.27 2.04 -0.84 -3.35 117.51 119.95 1bj4 h ILE 165 Ca -0.01 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1bj4 h ILE 165 Cb 1.30 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1bj4 h ILE 165 CO 0.09 0.40 -1.62 0.49 0.00 0.00 0.00 178.15 177.51 1bj4 n PHE 166 N -4.45 0.13 -4.63 1.37 3.72 -0.46 -4.97 117.46 108.16 1bj4 n PHE 166 Ca -0.05 0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 1bj4 n PHE 166 Cb 0.38 -0.46 -0.08 0.00 -0.94 0.00 0.00 39.48 38.39 1bj4 n PHE 166 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1bj4 s PHE 167 N -3.38 1.82 -0.36 1.38 0.08 -0.51 -0.37 117.98 116.63 1bj4 s PHE 167 Ca -0.03 -1.14 -0.02 0.00 0.12 0.00 0.00 56.93 55.86 1bj4 s PHE 167 Cb 0.14 -1.37 0.09 0.00 -0.57 0.00 0.00 43.02 41.31 1bj4 s PHE 167 CO 0.88 -0.06 0.12 -1.21 -0.10 0.00 0.00 175.22 174.85 1bj4 s GLU 168 N -3.78 2.11 0.05 0.44 0.41 -0.09 -4.46 118.70 113.38 1bj4 s GLU 168 Ca 0.15 -1.62 0.03 0.00 -0.41 0.00 0.00 54.97 53.12 1bj4 s GLU 168 Cb 0.02 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1bj4 s GLU 168 CO 0.09 -0.90 0.01 -1.54 -0.49 0.00 0.00 175.26 172.43 1bj4 s SER 169 N 1.53 5.12 -0.05 -0.19 1.04 -1.26 -0.84 113.70 119.04 1bj4 s SER 169 Ca 0.04 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1bj4 s SER 169 Cb -0.21 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.66 1bj4 s SER 169 CO -0.03 0.22 0.10 -0.32 0.98 0.00 0.00 173.24 174.19 1bj4 s MET 170 N -1.99 0.03 0.45 4.02 1.75 -0.56 -4.95 119.30 118.04 1bj4 s MET 170 Ca 0.23 0.33 -0.09 0.00 -1.25 0.00 0.00 55.69 54.91 1bj4 s MET 170 Cb -0.12 -0.23 -0.05 0.00 2.84 0.00 0.00 34.83 37.27 1bj4 s MET 170 CO 0.15 -0.19 0.80 -1.25 -0.65 0.00 0.00 175.02 173.88 1bj4 s PRO 171 N 1.31 3.68 0.17 4.11 0.04 -1.26 -3.44 135.00 139.60 1bj4 s PRO 171 Ca -0.07 0.40 0.06 0.00 0.04 0.00 0.00 61.00 61.43 1bj4 s PRO 171 Cb -0.12 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1bj4 s PRO 171 CO -0.05 -0.14 0.05 1.52 0.04 0.00 0.00 177.00 178.42 1bj4 s TYR 172 N -2.56 2.95 0.40 0.56 -0.85 -0.17 -4.86 117.35 112.81 1bj4 s TYR 172 Ca 0.50 -0.09 0.08 0.00 -0.52 0.00 0.00 57.07 57.04 1bj4 s TYR 172 Cb -0.10 -1.43 -0.06 0.00 0.38 0.00 0.00 41.96 40.75 1bj4 s TYR 172 CO 0.38 0.52 0.09 0.15 -1.52 0.00 0.00 175.55 175.17 1bj4 s LYS 173 N -2.97 2.11 0.02 -3.49 1.02 -1.26 -1.13 119.74 114.04 1bj4 s LYS 173 Ca 0.29 -1.91 -0.12 0.00 0.02 0.00 0.00 55.97 54.25 1bj4 s LYS 173 Cb -0.10 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1bj4 s LYS 173 CO 0.20 -0.04 0.38 0.08 -0.92 0.00 0.00 175.35 175.05 1bj4 s VAL 174 N -2.62 5.10 -0.19 3.17 1.01 -1.26 -1.32 120.40 124.29 1bj4 s VAL 174 Ca 0.38 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1bj4 s VAL 174 Cb 0.05 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1bj4 s VAL 174 CO 0.20 0.46 1.60 0.21 0.00 0.00 0.00 175.10 177.58 1bj4 s ASN 175 N -1.37 6.46 0.62 3.32 3.84 0.69 -4.76 114.94 123.75 1bj4 s ASN 175 Ca 0.27 1.74 0.34 0.00 0.21 0.00 0.00 52.86 55.42 1bj4 s ASN 175 Cb -0.15 -2.53 1.91 0.00 -0.55 0.00 0.00 41.25 39.92 1bj4 s ASN 175 CO 0.15 -1.17 2.19 1.55 -2.79 0.00 0.00 177.10 177.02 1bj4 h PRO 176 N 10.37 0.00 0.00 0.43 0.13 -1.88 0.19 132.00 141.24 1bj4 h PRO 176 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1bj4 h PRO 176 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1bj4 h PRO 176 CO 0.99 0.00 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.22 1bj4 h ASP 177 N 0.00 0.00 0.56 1.44 3.32 -1.90 -3.40 116.42 116.44 1bj4 h ASP 177 Ca 0.03 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 1bj4 h ASP 177 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1bj4 h ASP 177 CO -0.00 0.62 -0.89 0.71 -1.72 0.00 0.00 179.24 177.96 1bj4 h THR 178 N -1.00 1.49 0.00 0.35 1.35 -1.96 -3.48 112.91 109.65 1bj4 h THR 178 Ca -0.01 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1bj4 h THR 178 Cb 0.22 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1bj4 h THR 178 CO -0.01 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1bj4 n GLY 179 N 0.89 0.99 3.89 5.82 0.00 0.66 -4.06 105.19 113.39 1bj4 n GLY 179 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1bj4 n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj4 s TYR 180 N -2.42 3.46 0.20 1.61 1.51 -1.26 -4.73 117.35 115.72 1bj4 s TYR 180 Ca 0.00 0.79 -0.32 0.00 -1.01 0.00 0.00 57.07 56.54 1bj4 s TYR 180 Cb 0.00 -2.22 -0.11 0.00 -0.11 0.00 0.00 41.96 39.52 1bj4 s TYR 180 CO 0.00 0.16 1.66 0.42 -1.11 0.00 0.00 175.55 176.68 1bj4 s ILE 181 N -2.04 2.25 -0.97 2.71 1.01 -1.26 -0.22 121.20 122.68 1bj4 s ILE 181 Ca 0.46 0.18 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 1bj4 s ILE 181 Cb -0.11 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.31 1bj4 s ILE 181 CO 0.27 0.02 1.35 0.21 0.00 0.00 0.00 174.94 176.78 1bj4 s ASN 182 N 1.12 6.49 0.44 3.58 3.84 -0.44 -4.76 114.94 125.21 1bj4 s ASN 182 Ca 0.72 -1.50 0.22 0.00 0.21 0.00 0.00 52.86 52.52 1bj4 s ASN 182 Cb -0.47 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 38.67 1bj4 s ASN 182 CO 0.33 -1.43 1.86 1.88 -2.79 0.00 0.00 177.10 176.95 1bj4 h TYR 183 N 9.59 0.00 -0.22 0.43 0.05 -1.91 -2.97 116.97 121.94 1bj4 h TYR 183 Ca 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1bj4 h TYR 183 Cb 1.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 1bj4 h TYR 183 CO 1.23 0.26 0.01 -0.44 -1.05 0.00 0.00 178.16 178.18 1bj4 h ASP 184 N 0.00 0.36 0.34 3.88 3.32 -1.98 -1.35 116.42 121.00 1bj4 h ASP 184 Ca -0.00 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 1bj4 h ASP 184 Cb 0.68 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1bj4 h ASP 184 CO 0.03 0.57 -0.41 -0.61 -1.72 0.00 0.00 179.24 177.10 1bj4 h GLN 185 N 0.15 0.09 -0.04 3.56 4.15 -1.95 -2.32 115.11 118.75 1bj4 h GLN 185 Ca 0.06 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1bj4 h GLN 185 Cb 0.37 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1bj4 h GLN 185 CO 0.01 0.49 0.01 1.25 -1.93 0.00 0.00 178.83 178.65 1bj4 h LEU 186 N 0.08 0.07 -1.20 -2.39 5.85 -1.36 -1.19 115.31 115.16 1bj4 h LEU 186 Ca 0.01 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1bj4 h LEU 186 Cb 0.76 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1bj4 h LEU 186 CO 0.06 0.31 0.57 -0.08 -0.34 0.00 0.00 178.44 178.96 1bj4 h GLU 187 N -0.17 0.88 -0.03 1.25 4.81 -1.06 -0.01 114.58 120.24 1bj4 h GLU 187 Ca 0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1bj4 h GLU 187 Cb 0.27 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1bj4 h GLU 187 CO 0.00 0.58 -0.05 0.93 -0.73 0.00 0.00 179.01 179.74 1bj4 h GLU 188 N 0.90 0.08 -0.09 1.92 5.08 -1.25 -3.29 114.58 117.94 1bj4 h GLU 188 Ca 0.40 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1bj4 h GLU 188 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1bj4 h GLU 188 CO -0.16 0.62 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.29 1bj4 h ASN 189 N -0.44 0.15 -0.14 1.42 2.35 -0.85 -2.78 115.58 115.29 1bj4 h ASN 189 Ca 0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1bj4 h ASN 189 Cb 0.62 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1bj4 h ASN 189 CO 0.01 0.43 0.06 0.00 -1.65 0.00 0.00 177.43 176.28 1bj4 h ALA 190 N 1.59 1.75 0.00 -0.83 0.00 -1.08 0.95 119.26 121.64 1bj4 h ALA 190 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bj4 h ALA 190 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bj4 h ALA 190 CO 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.43 1bj4 h ARG 191 N 0.27 0.00 0.07 0.00 3.08 -1.56 0.19 114.38 116.42 1bj4 h ARG 191 Ca 0.07 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.75 1bj4 h ARG 191 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1bj4 h ARG 191 CO -0.01 0.06 -2.18 1.28 -1.07 0.00 0.00 179.97 178.06 1bj4 n LEU 192 N -3.17 2.55 0.08 3.04 4.77 -0.44 -4.58 117.00 119.27 1bj4 n LEU 192 Ca 0.01 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1bj4 n LEU 192 Cb 0.37 -0.90 -0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1bj4 n LEU 192 CO 0.30 0.85 -0.38 0.15 -1.33 0.00 0.00 177.39 176.97 1bj4 h PHE 193 N 0.04 0.63 -4.59 -1.77 3.57 -0.87 -3.50 116.94 110.45 1bj4 h PHE 193 Ca -0.48 -0.46 -0.14 0.00 3.53 0.00 0.00 57.97 60.42 1bj4 h PHE 193 Cb 1.99 -0.03 0.12 0.00 2.79 0.00 0.00 35.95 40.82 1bj4 h PHE 193 CO 0.05 1.51 -0.50 0.72 -2.23 0.00 0.00 178.31 177.87 1bj4 n HIS 194 N -3.54 -1.64 -2.06 0.41 8.25 0.05 -4.98 115.22 111.71 1bj4 n HIS 194 Ca -0.19 0.58 -0.37 0.00 -0.26 0.00 0.00 57.72 57.47 1bj4 n HIS 194 Cb 1.06 -3.52 0.01 0.00 1.12 0.00 0.00 29.99 28.67 1bj4 n HIS 194 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1bj4 s PRO 195 N -3.80 3.47 0.18 -0.41 0.04 -1.26 -4.74 135.00 128.47 1bj4 s PRO 195 Ca 0.27 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.49 1bj4 s PRO 195 Cb -0.03 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1bj4 s PRO 195 CO 0.48 -0.84 1.03 1.63 0.04 0.00 0.00 177.00 179.34 1bj4 n LYS 196 N -0.77 0.58 -3.68 4.56 4.76 0.43 -4.39 118.16 119.65 1bj4 n LYS 196 Ca 0.09 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.52 1bj4 n LYS 196 Cb 0.47 -1.80 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 1bj4 n LYS 196 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bj4 s LEU 197 N -5.20 -0.34 -0.14 -0.35 0.20 -1.11 -1.05 118.68 110.69 1bj4 s LEU 197 Ca -0.00 1.15 -0.01 0.00 0.69 0.00 0.00 54.13 55.96 1bj4 s LEU 197 Cb 0.10 1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 47.69 1bj4 s LEU 197 CO 0.79 -0.21 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.91 1bj4 s ILE 198 N 1.06 3.30 -0.19 6.68 1.01 0.19 -1.94 121.20 131.31 1bj4 s ILE 198 Ca -0.06 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1bj4 s ILE 198 Cb -0.06 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1bj4 s ILE 198 CO -0.10 0.51 0.34 -0.63 0.00 0.00 0.00 174.94 175.07 1bj4 s ILE 199 N 0.37 5.25 -0.62 2.92 1.01 0.03 -0.83 121.20 129.33 1bj4 s ILE 199 Ca -0.09 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1bj4 s ILE 199 Cb -0.15 -3.68 0.16 0.00 0.01 0.00 0.00 42.46 38.80 1bj4 s ILE 199 CO 0.05 0.30 0.43 0.00 0.00 0.00 0.00 174.94 175.72 1bj4 s ALA 200 N 1.04 3.57 -0.22 9.38 0.00 0.15 -4.52 121.76 131.16 1bj4 s ALA 200 Ca 0.17 -3.25 -0.32 0.00 0.00 0.00 0.00 51.96 48.56 1bj4 s ALA 200 Cb -0.14 -2.64 0.16 0.00 0.00 0.00 0.00 23.12 20.49 1bj4 s ALA 200 CO 0.06 -2.10 1.22 0.20 0.00 0.00 0.00 175.76 175.15 1bj4 s GLY 201 N 0.68 -0.13 0.12 0.00 0.00 -1.26 -1.30 107.32 105.42 1bj4 s GLY 201 Ca 0.17 2.19 -0.00 0.00 0.00 0.00 0.00 44.72 47.08 1bj4 s GLY 201 CO -0.03 0.88 0.02 -0.51 0.00 0.00 0.00 173.10 173.46 1bj4 s THR 202 N -1.56 0.27 -0.10 0.90 -4.23 -1.26 -4.71 115.64 104.95 1bj4 s THR 202 Ca 0.07 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 1bj4 s THR 202 Cb -0.01 -1.95 -0.12 0.00 1.34 0.00 0.00 72.50 71.76 1bj4 s THR 202 CO -0.05 -0.58 0.02 -0.24 -0.54 0.00 0.00 174.62 173.23 1bj4 n SER 203 N -0.09 2.57 -3.28 3.99 2.88 0.76 -4.54 113.62 115.91 1bj4 n SER 203 Ca -0.08 -0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.22 1bj4 n SER 203 Cb 0.63 0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 64.68 1bj4 n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bj4 s TYR 205 N -0.07 -0.44 -1.39 0.00 5.04 -1.26 -4.35 117.35 114.88 1bj4 s TYR 205 Ca 0.33 0.98 0.27 0.00 -2.44 0.00 0.00 57.07 56.21 1bj4 s TYR 205 Cb 0.06 0.09 0.95 0.00 0.35 0.00 0.00 41.96 43.42 1bj4 s TYR 205 CO -0.17 -0.30 1.70 -1.13 -1.34 0.00 0.00 175.55 174.31 1bj4 n SER 206 N 4.52 0.50 -4.61 4.32 3.41 -1.26 -4.91 113.62 115.58 1bj4 n SER 206 Ca -0.20 -0.36 -0.25 0.00 -0.26 0.00 0.00 58.87 57.79 1bj4 n SER 206 Cb 0.53 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1bj4 n SER 206 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1bj4 s ARG 207 N -2.71 2.18 0.53 4.33 1.81 -1.26 0.02 118.95 123.85 1bj4 s ARG 207 Ca 0.21 -1.34 -0.21 0.00 -1.72 0.00 0.00 55.73 52.67 1bj4 s ARG 207 Cb 0.19 -2.17 -0.05 0.00 -0.45 0.00 0.00 34.95 32.47 1bj4 s ARG 207 CO 0.55 0.40 1.25 -0.80 -0.68 0.00 0.00 175.30 176.03 1bj4 s ASN 208 N -3.23 5.56 0.12 0.23 0.01 -1.26 -4.96 114.94 111.40 1bj4 s ASN 208 Ca 0.28 2.51 -0.17 0.00 -0.71 0.00 0.00 52.86 54.78 1bj4 s ASN 208 Cb -0.08 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.90 1bj4 s ASN 208 CO 0.18 -1.35 0.57 -0.76 -1.51 0.00 0.00 177.10 174.22 1bj4 s LEU 209 N -3.48 4.42 -1.32 0.60 1.43 -1.26 -4.98 118.68 114.09 1bj4 s LEU 209 Ca 0.70 1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 1bj4 s LEU 209 Cb -0.34 -3.12 0.09 0.00 0.03 0.00 0.00 46.19 42.86 1bj4 s LEU 209 CO 0.40 0.18 1.82 -0.62 0.23 0.00 0.00 176.35 178.35 1bj4 n GLU 210 N 1.22 3.19 -0.12 1.70 1.02 -1.26 -4.80 120.64 121.58 1bj4 n GLU 210 Ca -0.07 -3.24 -0.06 0.00 -0.02 0.00 0.00 57.16 53.77 1bj4 n GLU 210 Cb 0.51 -3.31 0.03 0.00 -0.02 0.00 0.00 31.44 28.65 1bj4 n GLU 210 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1bj4 h TYR 211 N 6.94 0.28 -0.98 -0.32 0.05 -1.97 -0.65 116.97 120.31 1bj4 h TYR 211 Ca 0.45 0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.31 1bj4 h TYR 211 Cb 0.79 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.40 1bj4 h TYR 211 CO 1.36 0.12 0.64 0.00 -1.05 0.00 0.00 178.16 179.23 1bj4 h ALA 212 N 1.25 1.35 -0.33 3.88 0.00 -1.93 0.35 119.26 123.82 1bj4 h ALA 212 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1bj4 h ALA 212 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bj4 h ALA 212 CO -0.17 0.45 -0.18 -0.09 0.00 0.00 0.00 179.25 179.26 1bj4 h ARG 213 N 1.17 0.71 -0.68 0.00 9.65 -1.86 -2.02 114.38 121.37 1bj4 h ARG 213 Ca 0.42 -0.32 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1bj4 h ARG 213 Cb 0.12 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1bj4 h ARG 213 CO -0.16 0.93 0.30 -0.07 2.80 0.00 0.00 179.97 183.77 1bj4 h LEU 214 N 0.49 0.90 -0.96 3.80 3.38 -0.36 -1.59 115.31 120.96 1bj4 h LEU 214 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1bj4 h LEU 214 Cb 0.72 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1bj4 h LEU 214 CO 0.05 0.80 0.40 -0.09 0.09 0.00 0.00 178.44 179.69 1bj4 h ARG 215 N 0.95 1.14 -0.17 1.13 9.65 -0.24 0.08 114.38 126.91 1bj4 h ARG 215 Ca 0.23 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1bj4 h ARG 215 Cb 0.15 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1bj4 h ARG 215 CO -0.03 0.86 0.06 -0.22 2.80 0.00 0.00 179.97 183.45 1bj4 h LYS 216 N 1.13 0.26 -0.73 0.20 3.64 -0.94 -0.86 116.57 119.27 1bj4 h LYS 216 Ca 0.28 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1bj4 h LYS 216 Cb 0.09 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1bj4 h LYS 216 CO -0.04 0.35 0.39 0.82 -2.27 0.00 0.00 179.45 178.70 1bj4 h ILE 217 N 0.12 1.22 0.02 2.00 2.04 -0.93 -1.78 117.51 120.21 1bj4 h ILE 217 Ca 0.06 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1bj4 h ILE 217 Cb 0.19 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1bj4 h ILE 217 CO -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 1bj4 h ALA 218 N 1.40 -0.03 -0.47 1.87 0.00 -0.71 -2.96 119.26 118.36 1bj4 h ALA 218 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bj4 h ALA 218 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bj4 h ALA 218 CO -0.04 -0.41 0.31 -0.44 0.00 0.00 0.00 179.25 178.67 1bj4 h ASP 219 N -0.24 0.53 -0.30 0.00 3.32 -0.89 0.33 116.42 119.17 1bj4 h ASP 219 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1bj4 h ASP 219 Cb 0.23 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1bj4 h ASP 219 CO 0.01 0.38 0.11 -0.08 -1.72 0.00 0.00 179.24 177.93 1bj4 h GLU 220 N 0.62 0.53 -0.60 3.56 4.81 -1.18 -2.49 114.58 119.82 1bj4 h GLU 220 Ca 0.18 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1bj4 h GLU 220 Cb -0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1bj4 h GLU 220 CO -0.04 0.47 0.00 0.09 -0.73 0.00 0.00 179.01 178.81 1bj4 n ASN 221 N -4.36 3.81 -3.42 1.04 3.02 -0.63 -4.96 115.26 109.76 1bj4 n ASN 221 Ca 0.02 -2.11 -0.25 0.00 -0.03 0.00 0.00 54.58 52.22 1bj4 n ASN 221 Cb 0.17 -0.44 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1bj4 n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bj4 n GLY 222 N 1.18 -0.52 3.78 7.41 0.00 -0.40 -4.84 105.19 111.80 1bj4 n GLY 222 Ca 0.21 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 1bj4 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj4 s ALA 223 N -3.19 3.49 0.27 4.61 0.00 -0.03 -4.91 121.76 122.00 1bj4 s ALA 223 Ca 0.47 -1.42 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 1bj4 s ALA 223 Cb -0.22 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 1bj4 s ALA 223 CO 0.58 0.31 0.78 0.71 0.00 0.00 0.00 175.76 178.14 1bj4 s TYR 224 N -2.08 3.58 -0.37 0.00 2.02 -0.21 -4.35 117.35 115.95 1bj4 s TYR 224 Ca 0.32 1.45 -0.07 0.00 -0.37 0.00 0.00 57.07 58.39 1bj4 s TYR 224 Cb -0.08 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.85 1bj4 s TYR 224 CO 0.23 0.24 0.16 -1.17 -1.57 0.00 0.00 175.55 173.44 1bj4 s LEU 225 N -2.25 4.62 -0.20 -1.29 2.96 -1.26 -0.64 118.68 120.61 1bj4 s LEU 225 Ca 0.48 -1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.08 1bj4 s LEU 225 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1bj4 s LEU 225 CO 0.20 -0.40 -0.00 -0.32 -1.32 0.00 0.00 176.35 174.51 1bj4 s MET 226 N 1.41 3.61 -0.05 1.98 -2.45 -0.01 -1.14 119.30 122.64 1bj4 s MET 226 Ca 0.00 -0.53 -0.09 0.00 -1.25 0.00 0.00 55.69 53.83 1bj4 s MET 226 Cb -0.20 -3.07 -0.05 0.00 1.25 0.00 0.00 34.83 32.76 1bj4 s MET 226 CO 0.03 0.01 0.25 0.00 1.05 0.00 0.00 175.02 176.36 1bj4 s ALA 227 N 1.00 3.82 -0.65 4.11 0.00 0.33 0.33 121.76 130.71 1bj4 s ALA 227 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1bj4 s ALA 227 Cb -0.14 -2.11 0.16 0.00 0.00 0.00 0.00 23.12 21.02 1bj4 s ALA 227 CO 0.02 0.59 0.42 0.34 0.00 0.00 0.00 175.76 177.13 1bj4 s ASP 228 N -1.22 4.74 -0.01 0.00 -1.08 -0.42 -0.13 116.67 118.55 1bj4 s ASP 228 Ca 0.21 -3.49 0.01 0.00 -0.52 0.00 0.00 52.55 48.77 1bj4 s ASP 228 Cb -0.14 -1.67 0.06 0.00 -1.46 0.00 0.00 42.92 39.71 1bj4 s ASP 228 CO 0.10 -0.16 0.79 1.15 0.52 0.00 0.00 175.17 177.57 1bj4 n MET 229 N 2.49 1.22 -0.34 4.34 0.00 -0.63 -4.07 117.12 120.13 1bj4 n MET 229 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 57.70 57.59 1bj4 n MET 229 Cb 0.34 -1.34 0.01 0.00 0.00 0.00 0.00 33.22 32.24 1bj4 n MET 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1bj4 n ALA 230 N -0.12 -0.20 -0.04 3.17 0.00 -1.26 -0.34 120.51 121.73 1bj4 n ALA 230 Ca 0.02 0.84 -0.04 0.00 0.00 0.00 0.00 53.44 54.26 1bj4 n ALA 230 Cb 0.20 -0.33 0.17 0.00 0.00 0.00 0.00 19.45 19.49 1bj4 n ALA 230 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bj4 h HIS 231 N 0.00 0.69 -0.50 0.00 3.86 -1.81 -3.25 115.15 114.14 1bj4 h HIS 231 Ca 0.27 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1bj4 h HIS 231 Cb 0.49 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1bj4 h HIS 231 CO -0.79 0.76 0.00 0.44 0.86 0.00 0.00 177.93 179.20 1bj4 n ILE 232 N -4.15 1.15 -0.28 2.45 -5.35 -0.42 -4.20 119.36 108.56 1bj4 n ILE 232 Ca 0.01 -1.07 0.09 0.00 -0.27 0.00 0.00 62.75 61.51 1bj4 n ILE 232 Cb 0.37 0.42 0.24 0.00 -1.74 0.00 0.00 39.64 38.94 1bj4 n ILE 232 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1bj4 h SER 233 N 2.96 0.20 -0.42 7.28 4.64 -0.72 0.68 113.55 128.17 1bj4 h SER 233 Ca 0.00 0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1bj4 h SER 233 Cb 0.93 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1bj4 h SER 233 CO 0.03 0.00 -0.31 1.23 -0.87 0.00 0.00 176.83 176.92 1bj4 h GLY 234 N 0.36 1.04 0.89 -0.77 0.00 -1.84 -1.91 103.07 100.85 1bj4 h GLY 234 Ca 0.49 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1bj4 h GLY 234 CO -0.51 0.90 0.07 1.41 0.00 0.00 0.00 176.54 178.41 1bj4 h LEU 235 N 0.80 0.46 -0.95 3.11 3.38 -1.42 -2.30 115.31 118.40 1bj4 h LEU 235 Ca 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1bj4 h LEU 235 Cb 0.90 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1bj4 h LEU 235 CO 0.08 0.58 0.49 0.58 0.09 0.00 0.00 178.44 180.26 1bj4 h VAL 236 N 0.33 1.25 -0.67 1.22 2.07 -0.90 -1.31 116.25 118.24 1bj4 h VAL 236 Ca 0.09 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1bj4 h VAL 236 Cb 0.30 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1bj4 h VAL 236 CO 0.00 0.28 0.43 0.00 0.02 0.00 0.00 177.57 178.31 1bj4 h ALA 237 N 1.30 0.85 -0.10 1.67 0.00 -1.12 -1.78 119.26 120.09 1bj4 h ALA 237 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bj4 h ALA 237 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1bj4 h ALA 237 CO -0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1bj4 n ALA 238 N -2.29 2.54 -1.03 0.00 0.00 -0.88 -4.86 120.51 113.99 1bj4 n ALA 238 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1bj4 n ALA 238 Cb 0.03 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1bj4 n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bj4 n GLY 239 N 0.90 0.31 0.12 0.00 0.00 -0.67 -4.86 105.19 100.99 1bj4 n GLY 239 Ca 0.13 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1bj4 n GLY 239 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bj4 n VAL 240 N -2.45 0.81 -3.94 1.61 0.31 -0.57 -4.70 118.33 109.40 1bj4 n VAL 240 Ca -0.01 0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1bj4 n VAL 240 Cb 0.30 -1.09 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 1bj4 n VAL 240 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bj4 s VAL 241 N -3.28 0.08 0.33 2.52 1.01 -1.24 -5.00 120.40 114.82 1bj4 s VAL 241 Ca 0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1bj4 s VAL 241 Cb 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 36.38 36.11 1bj4 s VAL 241 CO 0.41 -0.37 1.30 -2.65 0.00 0.00 0.00 175.10 173.79 1bj4 n PRO 242 N 1.91 2.11 -2.66 2.72 -0.02 -1.26 -4.55 135.00 133.25 1bj4 n PRO 242 Ca -0.21 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1bj4 n PRO 242 Cb 0.56 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1bj4 n PRO 242 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bj4 s SER 243 N -0.22 7.42 0.15 2.55 0.15 -1.26 -4.93 113.70 117.56 1bj4 s SER 243 Ca 0.57 1.89 0.27 0.00 0.70 0.00 0.00 55.95 59.38 1bj4 s SER 243 Cb -0.58 -2.59 0.94 0.00 -1.71 0.00 0.00 66.02 62.07 1bj4 s SER 243 CO 0.60 -0.12 1.81 -0.81 1.20 0.00 0.00 173.24 175.92 1bj4 n PRO 244 N 2.67 0.18 0.29 5.44 -0.04 -1.26 -3.81 135.00 138.46 1bj4 n PRO 244 Ca 0.03 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.81 1bj4 n PRO 244 Cb 0.48 -1.72 0.86 0.00 -0.04 0.00 0.00 33.50 33.08 1bj4 n PRO 244 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bj4 h PHE 245 N 0.00 0.00 -0.00 0.54 0.04 -1.92 -2.00 116.94 113.60 1bj4 h PHE 245 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1bj4 h PHE 245 Cb 0.64 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 1bj4 h PHE 245 CO 0.00 0.06 -0.57 0.93 -0.60 0.00 0.00 178.31 178.13 1bj4 h GLU 246 N 0.00 0.01 0.00 1.51 5.08 -2.00 -3.35 114.58 115.82 1bj4 h GLU 246 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bj4 h GLU 246 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1bj4 h GLU 246 CO 0.01 0.57 -0.85 0.72 -1.00 0.00 0.00 179.01 178.46 1bj4 n HIS 247 N -3.86 0.00 -3.41 4.33 8.25 -1.09 -5.05 115.22 114.38 1bj4 n HIS 247 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1bj4 n HIS 247 Cb 0.57 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 1bj4 n HIS 247 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bj4 h HIS 249 N 1.75 0.29 -3.83 0.00 3.86 -1.47 -3.47 115.15 112.28 1bj4 h HIS 249 Ca -0.48 -0.21 -0.23 0.00 -1.16 0.00 0.00 60.37 58.29 1bj4 h HIS 249 Cb 1.19 -0.01 -0.26 0.00 1.06 0.00 0.00 27.41 29.39 1bj4 h HIS 249 CO 0.57 1.35 -0.72 0.08 0.86 0.00 0.00 177.93 180.07 1bj4 s VAL 250 N -2.60 0.12 -0.12 2.45 1.01 -1.14 -1.93 120.40 118.19 1bj4 s VAL 250 Ca -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1bj4 s VAL 250 Cb 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.34 1bj4 s VAL 250 CO 0.82 -0.11 -0.02 -0.69 0.00 0.00 0.00 175.10 175.10 1bj4 s VAL 251 N -0.42 0.67 0.26 2.92 1.01 -0.26 -0.51 120.40 124.06 1bj4 s VAL 251 Ca -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1bj4 s VAL 251 Cb -0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1bj4 s VAL 251 CO -0.00 0.16 0.21 0.42 0.00 0.00 0.00 175.10 175.89 1bj4 s THR 252 N 1.84 4.41 0.06 3.92 -4.23 0.82 -0.25 115.64 122.21 1bj4 s THR 252 Ca 0.03 -1.39 -0.27 0.00 -1.18 0.00 0.00 61.69 58.88 1bj4 s THR 252 Cb -0.14 -3.40 0.09 0.00 1.34 0.00 0.00 72.50 70.39 1bj4 s THR 252 CO -0.07 -0.34 0.84 0.28 -0.54 0.00 0.00 174.62 174.80 1bj4 s THR 253 N -2.14 0.00 0.36 3.99 -1.32 -0.76 -1.61 115.64 114.16 1bj4 s THR 253 Ca 0.33 -0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.67 1bj4 s THR 253 Cb -0.08 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.69 1bj4 s THR 253 CO 0.25 0.00 0.58 0.28 -2.21 0.00 0.00 174.62 173.53 1bj4 s THR 254 N -3.28 5.07 -0.75 5.08 -1.32 -1.26 -1.05 115.64 118.13 1bj4 s THR 254 Ca 0.06 -0.31 0.19 0.00 -1.21 0.00 0.00 61.69 60.42 1bj4 s THR 254 Cb -0.01 -3.85 -0.23 0.00 -1.51 0.00 0.00 72.50 66.90 1bj4 s THR 254 CO -0.08 -0.58 0.75 0.35 -2.21 0.00 0.00 174.62 172.86 1bj4 n THR 255 N -1.77 0.00 0.00 5.08 -2.24 0.05 -4.78 114.28 110.62 1bj4 n THR 255 Ca -0.04 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1bj4 n THR 255 Cb 0.56 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1bj4 n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj4 n HIS 256 N -1.60 0.00 -1.16 4.78 -0.00 -1.21 -1.46 115.22 114.57 1bj4 n HIS 256 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1bj4 n HIS 256 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 1bj4 n HIS 256 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1bj4 n LYS 257 N 0.00 0.00 0.00 -1.40 5.02 -1.26 -1.48 118.16 119.04 1bj4 n LYS 257 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1bj4 n LYS 257 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.18 1bj4 n LYS 257 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bj4 n THR 258 N 0.00 1.05 0.88 -0.18 -2.24 -1.26 -1.71 114.28 110.82 1bj4 n THR 258 Ca 0.00 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 1bj4 n THR 258 Cb 0.00 -1.15 0.15 0.00 -2.10 0.00 0.00 70.33 67.23 1bj4 n THR 258 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bj4 n LEU 259 N -1.34 0.61 -1.68 3.22 7.94 -0.55 -3.69 117.00 121.51 1bj4 n LEU 259 Ca 0.03 -0.05 -0.21 0.00 -1.11 0.00 0.00 56.01 54.67 1bj4 n LEU 259 Cb 0.06 -0.18 -0.08 0.00 0.53 0.00 0.00 43.42 43.75 1bj4 n LEU 259 CO 0.06 0.11 -0.21 0.54 -1.11 0.00 0.00 177.39 176.78 1bj4 n ARG 260 N -1.64 -1.46 -0.41 1.96 1.74 -0.69 -4.90 116.66 111.25 1bj4 n ARG 260 Ca 0.04 1.20 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 1bj4 n ARG 260 Cb 0.36 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 1bj4 n ARG 260 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bj4 n GLY 261 N -0.50 1.30 3.93 -0.13 0.00 -0.53 -4.04 105.19 105.22 1bj4 n GLY 261 Ca -0.21 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 1bj4 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj4 s ARG 263 N -5.32 4.24 0.00 0.00 1.81 -1.26 -3.33 118.95 115.09 1bj4 s ARG 263 Ca 0.61 2.09 0.00 0.00 -1.72 0.00 0.00 55.73 56.72 1bj4 s ARG 263 Cb -0.10 -3.64 0.00 0.00 -0.45 0.00 0.00 34.95 30.76 1bj4 s ARG 263 CO 0.46 -0.66 0.00 0.00 -0.68 0.00 0.00 175.30 174.41 1bj4 n ALA 264 N 5.70 0.00 -3.05 2.13 0.00 -1.24 -4.79 120.51 119.26 1bj4 n ALA 264 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1bj4 n ALA 264 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1bj4 n ALA 264 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bj4 s GLY 265 N 0.00 0.39 0.04 0.00 0.00 -0.65 -0.77 107.32 106.33 1bj4 s GLY 265 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1bj4 s GLY 265 CO 0.00 -0.62 -0.01 1.06 0.00 0.00 0.00 173.10 173.53 1bj4 s MET 266 N -3.97 0.52 -0.16 2.90 -1.94 -0.21 -3.73 119.30 112.70 1bj4 s MET 266 Ca 0.18 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1bj4 s MET 266 Cb 0.01 0.18 0.04 0.00 2.01 0.00 0.00 34.83 37.07 1bj4 s MET 266 CO 0.04 -0.10 -0.04 0.42 -0.01 0.00 0.00 175.02 175.33 1bj4 s ILE 267 N -2.98 0.97 -0.07 2.53 1.01 -0.41 -1.84 121.20 120.41 1bj4 s ILE 267 Ca -0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 1bj4 s ILE 267 Cb 0.01 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1bj4 s ILE 267 CO -0.07 0.10 0.22 -0.36 0.00 0.00 0.00 174.94 174.84 1bj4 s PHE 268 N 1.69 3.62 -0.00 3.97 0.40 0.66 -0.33 117.98 127.99 1bj4 s PHE 268 Ca 0.01 0.63 -0.07 0.00 -0.60 0.00 0.00 56.93 56.91 1bj4 s PHE 268 Cb -0.15 -2.02 0.00 0.00 0.51 0.00 0.00 43.02 41.36 1bj4 s PHE 268 CO -0.07 0.69 0.13 1.52 0.70 0.00 0.00 175.22 178.19 1bj4 s TYR 269 N -1.10 0.03 0.40 0.36 -0.85 -0.27 -1.11 117.35 114.81 1bj4 s TYR 269 Ca 0.20 -0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.40 1bj4 s TYR 269 Cb -0.13 -0.04 -0.08 0.00 0.38 0.00 0.00 41.96 42.08 1bj4 s TYR 269 CO 0.09 -0.26 1.18 1.03 -1.52 0.00 0.00 175.55 176.07 1bj4 s ARG 270 N -1.21 4.05 0.30 -3.49 1.81 -0.81 -0.73 118.95 118.86 1bj4 s ARG 270 Ca -0.13 1.86 0.04 0.00 -1.72 0.00 0.00 55.73 55.78 1bj4 s ARG 270 Cb -0.07 -2.68 -0.06 0.00 -0.45 0.00 0.00 34.95 31.69 1bj4 s ARG 270 CO 0.01 -0.33 0.05 0.15 -0.68 0.00 0.00 175.30 174.49 1bj4 s LYS 271 N -2.30 1.57 1.60 3.54 1.02 0.17 -4.51 119.74 120.83 1bj4 s LYS 271 Ca 0.57 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1bj4 s LYS 271 Cb -0.31 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1bj4 s LYS 271 CO 0.39 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1bj4 n GLY 272 N -0.61 -1.10 3.69 -3.33 0.00 -1.25 -4.49 105.19 98.10 1bj4 n GLY 272 Ca -0.03 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1bj4 n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bj4 s VAL 273 N 0.00 3.56 -0.20 1.61 1.01 -1.26 -0.64 120.40 124.48 1bj4 s VAL 273 Ca 0.00 0.95 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 1bj4 s VAL 273 Cb 0.00 -3.61 -0.20 0.00 0.00 0.00 0.00 36.38 32.57 1bj4 s VAL 273 CO 0.00 -0.01 0.29 0.50 0.00 0.00 0.00 175.10 175.88 1bj4 h LYS 274 N 8.00 0.00 -3.04 2.72 3.64 -1.11 -3.45 116.57 123.34 1bj4 h LYS 274 Ca -0.39 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1bj4 h LYS 274 Cb 1.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1bj4 h LYS 274 CO 0.91 1.00 0.21 -1.54 -2.27 0.00 0.00 179.45 177.77 1bj4 s SER 275 N -6.78 -0.22 0.09 4.20 1.04 -1.02 -5.03 113.70 105.98 1bj4 s SER 275 Ca -0.27 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1bj4 s SER 275 Cb 0.05 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1bj4 s SER 275 CO 0.61 -1.37 -0.03 0.68 0.98 0.00 0.00 173.24 174.10 1bj4 s VAL 276 N -3.76 0.41 -0.24 5.02 -7.23 -1.26 -0.35 120.40 112.98 1bj4 s VAL 276 Ca 0.12 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 1bj4 s VAL 276 Cb -0.06 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1bj4 s VAL 276 CO 0.08 -0.86 0.28 -0.62 -0.31 0.00 0.00 175.10 173.67 1bj4 s ASP 277 N -3.00 6.21 0.27 4.85 -1.08 -0.93 -4.98 116.67 118.01 1bj4 s ASP 277 Ca 0.12 0.23 -0.00 0.00 -0.52 0.00 0.00 52.55 52.38 1bj4 s ASP 277 Cb 0.07 -2.16 0.58 0.00 -1.46 0.00 0.00 42.92 39.95 1bj4 s ASP 277 CO -0.06 -0.05 1.72 -0.65 0.52 0.00 0.00 175.17 176.65 1bj4 h PRO 278 N 7.79 0.45 0.00 4.34 0.11 -1.97 0.72 132.00 143.44 1bj4 h PRO 278 Ca -0.35 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.54 1bj4 h PRO 278 Cb 1.17 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1bj4 h PRO 278 CO 0.65 0.30 -1.02 0.00 -0.21 0.00 0.00 178.00 177.72 1bj4 h ALA 279 N 1.62 0.21 0.00 -0.75 0.00 -1.99 -3.39 119.26 114.95 1bj4 h ALA 279 Ca 0.48 -1.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1bj4 h ALA 279 Cb 0.81 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1bj4 h ALA 279 CO -0.45 0.57 -0.22 1.79 0.00 0.00 0.00 179.25 180.94 1bj4 h THR 280 N -1.00 0.45 0.00 0.00 1.35 -1.99 -3.46 112.91 108.26 1bj4 h THR 280 Ca -0.28 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1bj4 h THR 280 Cb 1.24 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1bj4 h THR 280 CO -0.17 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1bj4 n GLY 281 N 0.57 0.49 3.66 5.82 0.00 0.24 -4.95 105.19 111.02 1bj4 n GLY 281 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1bj4 n GLY 281 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bj4 s LYS 282 N -0.54 4.21 -0.15 1.61 2.47 -1.26 -4.73 119.74 121.36 1bj4 s LYS 282 Ca 0.00 1.87 -0.14 0.00 -1.56 0.00 0.00 55.97 56.15 1bj4 s LYS 282 Cb 0.00 -3.85 -0.05 0.00 -1.46 0.00 0.00 37.83 32.48 1bj4 s LYS 282 CO 0.00 -0.76 0.30 -1.83 0.16 0.00 0.00 175.35 173.22 1bj4 s GLU 283 N 3.68 4.20 -0.13 4.03 -1.05 -1.26 -2.19 118.70 125.98 1bj4 s GLU 283 Ca 0.62 0.12 -0.16 0.00 -0.15 0.00 0.00 54.97 55.40 1bj4 s GLU 283 Cb -0.26 -3.40 -0.04 0.00 -0.44 0.00 0.00 34.13 29.98 1bj4 s GLU 283 CO 0.21 0.29 0.41 0.42 0.95 0.00 0.00 175.26 177.54 1bj4 s ILE 284 N 0.31 5.22 0.22 1.83 1.09 0.52 -5.00 121.20 125.39 1bj4 s ILE 284 Ca 0.17 0.81 0.06 0.00 -1.10 0.00 0.00 60.65 60.59 1bj4 s ILE 284 Cb -0.13 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1bj4 s ILE 284 CO 0.05 0.36 0.25 -0.76 -0.10 0.00 0.00 174.94 174.74 1bj4 s LEU 285 N 0.47 4.05 0.44 2.97 1.43 -1.26 -0.57 118.68 126.21 1bj4 s LEU 285 Ca 0.23 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1bj4 s LEU 285 Cb -0.14 -2.60 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 1bj4 s LEU 285 CO 0.08 -0.02 1.15 -0.31 0.23 0.00 0.00 176.35 177.48 1bj4 s TYR 286 N -1.98 2.96 -0.08 0.29 2.02 0.19 -4.69 117.35 116.06 1bj4 s TYR 286 Ca 0.33 1.55 0.12 0.00 -0.37 0.00 0.00 57.07 58.70 1bj4 s TYR 286 Cb -0.09 -3.35 0.19 0.00 -0.40 0.00 0.00 41.96 38.31 1bj4 s TYR 286 CO 0.26 -1.36 1.08 -1.71 -1.57 0.00 0.00 175.55 172.26 1bj4 n ASN 287 N -0.34 1.64 -0.19 2.29 5.15 -1.26 -4.73 115.26 117.82 1bj4 n ASN 287 Ca 0.06 -2.67 -0.02 0.00 -0.60 0.00 0.00 54.58 51.36 1bj4 n ASN 287 Cb 0.48 -0.33 0.19 0.00 -0.53 0.00 0.00 39.78 39.59 1bj4 n ASN 287 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bj4 h LEU 288 N 0.00 0.86 0.03 1.20 3.38 -1.93 -2.68 115.31 116.17 1bj4 h LEU 288 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1bj4 h LEU 288 Cb 1.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1bj4 h LEU 288 CO 0.00 0.74 -0.13 -0.08 0.09 0.00 0.00 178.44 179.06 1bj4 h GLU 289 N 0.93 -0.23 0.11 1.13 4.81 -1.87 0.40 114.58 119.87 1bj4 h GLU 289 Ca 0.23 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1bj4 h GLU 289 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1bj4 h GLU 289 CO -0.03 -0.15 -0.05 1.03 -0.73 0.00 0.00 179.01 179.08 1bj4 h SER 290 N -0.24 -0.12 -0.02 1.04 0.87 -1.91 -1.17 113.55 112.00 1bj4 h SER 290 Ca 0.04 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1bj4 h SER 290 Cb 0.28 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1bj4 h SER 290 CO -0.11 0.06 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.16 1bj4 h LEU 291 N -0.30 -0.06 -0.48 2.23 3.38 -1.41 -0.51 115.31 118.16 1bj4 h LEU 291 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1bj4 h LEU 291 Cb 0.25 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1bj4 h LEU 291 CO 0.02 -0.03 0.12 0.40 0.09 0.00 0.00 178.44 179.04 1bj4 h ILE 292 N -0.03 1.24 -0.52 1.22 2.04 -0.93 -1.55 117.51 118.98 1bj4 h ILE 292 Ca 0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1bj4 h ILE 292 Cb 0.05 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1bj4 h ILE 292 CO -0.03 0.30 0.23 0.78 0.00 0.00 0.00 178.15 179.42 1bj4 h ASN 293 N 0.64 0.69 -0.68 1.72 2.35 -1.10 -1.98 115.58 117.23 1bj4 h ASN 293 Ca 0.15 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1bj4 h ASN 293 Cb 0.32 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1bj4 h ASN 293 CO 0.00 0.65 0.40 0.28 -1.65 0.00 0.00 177.43 177.11 1bj4 h SER 294 N 0.69 0.84 -0.38 5.81 0.02 -0.92 -0.93 113.55 118.68 1bj4 h SER 294 Ca 0.17 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1bj4 h SER 294 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1bj4 h SER 294 CO -0.02 0.66 -0.03 0.00 -1.14 0.00 0.00 176.83 176.30 1bj4 h ALA 295 N 1.48 0.52 -0.08 3.77 0.00 -0.89 -1.17 119.26 122.89 1bj4 h ALA 295 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bj4 h ALA 295 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bj4 h ALA 295 CO -0.04 0.33 0.04 0.28 0.00 0.00 0.00 179.25 179.85 1bj4 h VAL 296 N 0.52 1.12 -2.61 0.00 2.07 -0.95 0.35 116.25 116.74 1bj4 h VAL 296 Ca 0.10 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1bj4 h VAL 296 Cb 0.52 1.20 -0.25 0.00 -1.52 0.00 0.00 31.29 31.25 1bj4 h VAL 296 CO 0.03 0.10 -0.22 0.12 0.02 0.00 0.00 177.57 177.62 1bj4 s PHE 297 N -5.68 -0.56 -1.98 1.57 5.36 -0.39 -0.28 117.98 116.02 1bj4 s PHE 297 Ca -0.14 1.29 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1bj4 s PHE 297 Cb 0.06 0.23 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 1bj4 s PHE 297 CO 0.68 -0.29 1.02 -0.35 -1.46 0.00 0.00 175.22 174.82 1bj4 n PRO 298 N 3.44 1.10 0.00 10.12 -0.04 -1.09 -3.81 135.00 144.73 1bj4 n PRO 298 Ca -0.17 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1bj4 n PRO 298 Cb 0.56 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1bj4 n PRO 298 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bj4 n GLY 299 N 0.56 -2.11 0.13 0.55 0.00 -0.46 -4.74 105.19 99.11 1bj4 n GLY 299 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1bj4 n GLY 299 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bj4 n LEU 300 N -1.90 2.11 -4.98 0.99 4.77 0.12 -5.00 117.00 113.11 1bj4 n LEU 300 Ca 0.00 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 1bj4 n LEU 300 Cb 0.00 -0.86 0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1bj4 n LEU 300 CO 0.00 0.60 0.27 -1.10 -1.33 0.00 0.00 177.39 175.83 1bj4 s GLN 301 N -2.49 2.72 0.00 3.23 -0.21 0.62 -5.03 119.66 118.50 1bj4 s GLN 301 Ca -0.37 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.10 1bj4 s GLN 301 Cb 0.13 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.53 1bj4 s GLN 301 CO 0.53 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 1bj4 n GLY 302 N -2.11 1.02 3.74 3.09 0.00 -1.26 -4.74 105.19 104.93 1bj4 n GLY 302 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1bj4 n GLY 302 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bj4 s GLY 303 N 0.00 2.56 0.58 -0.02 0.00 -1.26 -4.75 107.32 104.43 1bj4 s GLY 303 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 44.72 45.60 1bj4 s GLY 303 CO 0.00 1.99 1.19 -4.14 0.00 0.00 0.00 173.10 172.15 1bj4 s PRO 304 N -0.28 3.07 -1.06 2.90 0.02 -1.26 -4.94 135.00 133.44 1bj4 s PRO 304 Ca 0.55 1.79 -0.14 0.00 0.02 0.00 0.00 61.00 63.22 1bj4 s PRO 304 Cb -0.36 -1.95 0.20 0.00 0.02 0.00 0.00 34.50 32.41 1bj4 s PRO 304 CO 0.39 -1.12 1.16 -1.01 -0.33 0.00 0.00 177.00 176.09 1bj4 s HIS 305 N -1.63 3.69 0.52 6.54 3.76 -1.26 -4.71 115.29 122.20 1bj4 s HIS 305 Ca 0.76 -2.11 0.20 0.00 -0.15 0.00 0.00 55.06 53.76 1bj4 s HIS 305 Cb -0.29 -4.09 1.32 0.00 1.11 0.00 0.00 32.58 30.63 1bj4 s HIS 305 CO 0.32 -1.22 2.08 -0.91 -0.85 0.00 0.00 174.74 174.16 1bj4 h ASN 306 N 7.47 0.00 -0.70 1.40 2.35 -1.86 -1.18 115.58 123.07 1bj4 h ASN 306 Ca 0.21 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1bj4 h ASN 306 Cb 0.93 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 1bj4 h ASN 306 CO 1.07 0.00 0.15 1.12 -1.65 0.00 0.00 177.43 178.12 1bj4 h HIS 307 N 0.01 1.20 -0.30 1.19 2.07 -1.87 -1.67 115.15 115.77 1bj4 h HIS 307 Ca 0.11 -0.15 -0.15 0.00 -2.85 0.00 0.00 60.37 57.33 1bj4 h HIS 307 Cb 0.44 -0.33 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 1bj4 h HIS 307 CO -0.00 0.98 -0.42 0.00 -3.07 0.00 0.00 177.93 175.42 1bj4 h ALA 308 N 1.07 0.69 0.00 6.11 0.00 -1.57 -2.12 119.26 123.44 1bj4 h ALA 308 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1bj4 h ALA 308 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bj4 h ALA 308 CO 0.01 0.67 -0.09 0.82 0.00 0.00 0.00 179.25 180.65 1bj4 h ILE 309 N 0.61 0.74 -0.01 0.00 2.04 -1.00 0.07 117.51 119.95 1bj4 h ILE 309 Ca 0.04 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1bj4 h ILE 309 Cb 0.98 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1bj4 h ILE 309 CO 0.09 0.09 -0.09 0.00 0.00 0.00 0.00 178.15 178.24 1bj4 h ALA 310 N 1.91 0.02 -0.96 1.87 0.00 -0.89 -1.76 119.26 119.46 1bj4 h ALA 310 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1bj4 h ALA 310 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1bj4 h ALA 310 CO 0.01 -0.05 0.62 0.78 0.00 0.00 0.00 179.25 180.61 1bj4 h GLY 311 N -0.60 1.46 0.86 0.00 0.00 -0.72 0.03 103.07 104.09 1bj4 h GLY 311 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1bj4 h GLY 311 CO 0.02 0.27 0.02 -2.08 0.00 0.00 0.00 176.54 174.76 1bj4 h VAL 312 N 1.05 1.25 -0.73 4.60 2.07 -1.02 -0.66 116.25 122.81 1bj4 h VAL 312 Ca 0.43 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1bj4 h VAL 312 Cb 0.29 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1bj4 h VAL 312 CO -0.19 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.12 1bj4 h ALA 313 N 0.83 0.97 -0.34 1.67 0.00 -0.35 -0.54 119.26 121.50 1bj4 h ALA 313 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bj4 h ALA 313 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bj4 h ALA 313 CO 0.01 0.21 0.04 0.28 0.00 0.00 0.00 179.25 179.80 1bj4 h VAL 314 N 0.86 1.24 -0.13 0.00 2.07 -0.89 -2.62 116.25 116.79 1bj4 h VAL 314 Ca 0.30 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1bj4 h VAL 314 Cb 0.07 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bj4 h VAL 314 CO -0.13 0.29 -0.04 0.00 0.02 0.00 0.00 177.57 177.70 1bj4 h ALA 315 N 0.89 1.69 0.00 1.67 0.00 -0.56 -2.06 119.26 120.89 1bj4 h ALA 315 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1bj4 h ALA 315 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bj4 h ALA 315 CO 0.01 0.23 -0.66 -0.07 0.00 0.00 0.00 179.25 178.76 1bj4 h LEU 316 N 0.19 0.00 -0.22 0.00 3.38 -0.88 -0.17 115.31 117.61 1bj4 h LEU 316 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1bj4 h LEU 316 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bj4 h LEU 316 CO 0.01 0.66 -0.36 0.50 0.09 0.00 0.00 178.44 179.34 1bj4 h LYS 317 N 0.00 0.63 -0.41 1.13 3.64 -1.02 -2.99 116.57 117.55 1bj4 h LYS 317 Ca -0.01 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1bj4 h LYS 317 Cb 1.22 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1bj4 h LYS 317 CO 0.09 1.00 -0.01 1.96 -2.27 0.00 0.00 179.45 180.22 1bj4 h GLN 318 N 0.33 0.67 0.00 1.90 4.20 -1.34 -2.35 115.11 118.51 1bj4 h GLN 318 Ca 0.02 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1bj4 h GLN 318 Cb 0.95 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1bj4 h GLN 318 CO 0.08 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.93 1bj4 h ALA 319 N 1.37 1.00 -0.03 3.87 0.00 -0.88 -2.24 119.26 122.35 1bj4 h ALA 319 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bj4 h ALA 319 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bj4 h ALA 319 CO 0.02 0.00 -0.06 -1.33 0.00 0.00 0.00 179.25 177.88 1bj4 n MET 320 N -2.53 2.17 -2.09 0.00 2.81 -0.88 -4.69 117.12 111.89 1bj4 n MET 320 Ca -0.00 -1.78 -0.29 0.00 -1.81 0.00 0.00 57.70 53.82 1bj4 n MET 320 Cb 0.14 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1bj4 n MET 320 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1bj4 s THR 321 N -2.06 3.76 0.18 2.03 -4.23 -0.84 -4.99 115.64 109.49 1bj4 s THR 321 Ca 0.27 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 1bj4 s THR 321 Cb 0.20 -3.54 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 1bj4 s THR 321 CO 0.33 -0.65 1.48 0.25 -0.54 0.00 0.00 174.62 175.50 1bj4 h LEU 322 N -0.41 0.66 -1.12 4.79 5.85 -1.93 -2.78 115.31 120.37 1bj4 h LEU 322 Ca -0.45 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.00 1bj4 h LEU 322 Cb 1.24 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1bj4 h LEU 322 CO 0.62 1.09 0.60 -0.33 -0.34 0.00 0.00 178.44 180.08 1bj4 h GLU 323 N 0.45 0.97 -0.30 1.25 3.07 -1.94 -0.40 114.58 117.68 1bj4 h GLU 323 Ca 0.01 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1bj4 h GLU 323 Cb 1.12 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1bj4 h GLU 323 CO 0.11 0.64 -0.16 0.35 -1.40 0.00 0.00 179.01 178.55 1bj4 h PHE 324 N 1.00 0.75 -0.70 4.33 3.57 -1.74 -1.47 116.94 122.67 1bj4 h PHE 324 Ca 0.42 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1bj4 h PHE 324 Cb 0.32 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1bj4 h PHE 324 CO -0.00 0.88 0.45 -0.22 -2.23 0.00 0.00 178.31 177.19 1bj4 h LYS 325 N 0.40 0.88 -0.67 1.11 3.64 -1.07 0.00 116.57 120.86 1bj4 h LYS 325 Ca 0.07 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1bj4 h LYS 325 Cb 0.69 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1bj4 h LYS 325 CO 0.05 0.58 0.12 0.28 -2.27 0.00 0.00 179.45 178.21 1bj4 h VAL 326 N 0.91 1.26 -0.14 2.00 2.07 -1.02 -2.23 116.25 119.10 1bj4 h VAL 326 Ca 0.27 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1bj4 h VAL 326 Cb -0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1bj4 h VAL 326 CO -0.08 0.39 0.03 0.22 0.02 0.00 0.00 177.57 178.15 1bj4 h TYR 327 N 1.04 0.06 -0.44 1.57 3.20 -0.36 -1.01 116.97 121.03 1bj4 h TYR 327 Ca 0.21 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1bj4 h TYR 327 Cb 0.43 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1bj4 h TYR 327 CO 0.03 0.03 0.05 1.96 -1.64 0.00 0.00 178.16 178.59 1bj4 h GLN 328 N 0.09 0.68 -0.37 1.82 1.08 -0.84 0.07 115.11 117.64 1bj4 h GLN 328 Ca 0.06 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 1bj4 h GLN 328 Cb 0.05 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1bj4 h GLN 328 CO -0.07 0.66 -0.29 0.45 -0.95 0.00 0.00 178.83 178.62 1bj4 h HIS 329 N 0.65 0.92 -0.28 2.96 3.86 -1.11 -2.58 115.15 119.57 1bj4 h HIS 329 Ca 0.14 -0.24 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 1bj4 h HIS 329 Cb 0.33 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1bj4 h HIS 329 CO 0.01 0.99 -0.19 0.37 0.86 0.00 0.00 177.93 179.97 1bj4 h GLN 330 N 0.67 0.50 -0.30 2.45 5.75 -0.68 -0.63 115.11 122.87 1bj4 h GLN 330 Ca 0.08 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1bj4 h GLN 330 Cb 0.83 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1bj4 h GLN 330 CO 0.07 0.67 0.18 0.28 -2.65 0.00 0.00 178.83 177.38 1bj4 h VAL 331 N 0.45 1.04 -0.30 2.39 2.07 -0.62 0.10 116.25 121.38 1bj4 h VAL 331 Ca 0.07 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1bj4 h VAL 331 Cb 0.59 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bj4 h VAL 331 CO 0.04 0.07 -0.39 0.58 0.02 0.00 0.00 177.57 177.89 1bj4 h VAL 332 N 0.37 1.29 -0.79 2.57 2.07 -1.24 -2.16 116.25 118.36 1bj4 h VAL 332 Ca 0.12 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1bj4 h VAL 332 Cb -0.01 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1bj4 h VAL 332 CO -0.05 0.51 0.50 0.00 0.02 0.00 0.00 177.57 178.55 1bj4 h ALA 333 N 0.70 1.01 -0.13 1.67 0.00 -0.90 -0.04 119.26 121.58 1bj4 h ALA 333 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1bj4 h ALA 333 Cb 0.98 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bj4 h ALA 333 CO 0.09 0.45 -0.29 -0.91 0.00 0.00 0.00 179.25 178.59 1bj4 h ASN 334 N 1.08 0.23 -0.31 0.00 2.35 -0.74 -0.69 115.58 117.51 1bj4 h ASN 334 Ca 0.29 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1bj4 h ASN 334 Cb -0.08 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1bj4 h ASN 334 CO -0.06 0.53 -0.33 0.00 -1.65 0.00 0.00 177.43 175.91 1bj4 h ARG 336 N 0.53 0.59 -0.26 0.00 3.08 -0.70 0.19 114.38 117.80 1bj4 h ARG 336 Ca 0.04 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1bj4 h ARG 336 Cb 0.92 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1bj4 h ARG 336 CO 0.08 0.51 0.09 0.00 -1.07 0.00 0.00 179.97 179.58 1bj4 h ALA 337 N 1.05 0.30 -0.41 0.04 0.00 -1.03 0.51 119.26 119.73 1bj4 h ALA 337 Ca 0.14 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bj4 h ALA 337 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bj4 h ALA 337 CO -0.02 -0.31 0.06 1.25 0.00 0.00 0.00 179.25 180.22 1bj4 h LEU 338 N 0.22 0.65 0.26 0.00 5.85 -0.84 -1.47 115.31 119.98 1bj4 h LEU 338 Ca 0.12 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1bj4 h LEU 338 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1bj4 h LEU 338 CO -0.12 0.76 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.34 1bj4 h SER 339 N 0.53 -0.30 -0.11 1.25 0.87 -0.25 -2.28 113.55 113.26 1bj4 h SER 339 Ca 0.12 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1bj4 h SER 339 Cb 0.39 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1bj4 h SER 339 CO 0.01 -0.15 -0.15 1.05 -0.53 0.00 0.00 176.83 177.06 1bj4 h GLU 340 N -0.43 0.47 -0.22 2.24 4.11 -0.92 0.02 114.58 119.86 1bj4 h GLU 340 Ca -0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1bj4 h GLU 340 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1bj4 h GLU 340 CO 0.06 0.62 0.14 0.00 0.07 0.00 0.00 179.01 179.90 1bj4 h ALA 341 N 1.41 0.28 -0.26 1.06 0.00 -1.17 0.11 119.26 120.68 1bj4 h ALA 341 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1bj4 h ALA 341 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1bj4 h ALA 341 CO 0.03 -0.25 -0.34 -0.07 0.00 0.00 0.00 179.25 178.62 1bj4 h LEU 342 N 0.29 0.60 -0.31 0.00 3.38 -1.15 -2.09 115.31 116.04 1bj4 h LEU 342 Ca 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1bj4 h LEU 342 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1bj4 h LEU 342 CO -0.02 0.90 0.13 0.74 0.09 0.00 0.00 178.44 180.28 1bj4 h THR 343 N 0.49 1.17 -0.05 0.22 2.02 -0.53 -0.32 112.91 115.91 1bj4 h THR 343 Ca 0.05 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1bj4 h THR 343 Cb 0.83 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1bj4 h THR 343 CO 0.07 0.18 0.03 -0.33 0.37 0.00 0.00 175.52 175.84 1bj4 h GLU 344 N 0.35 0.07 -0.05 6.66 5.08 -0.65 0.19 114.58 126.23 1bj4 h GLU 344 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1bj4 h GLU 344 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1bj4 h GLU 344 CO -0.01 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1bj4 n LEU 345 N -4.52 0.36 0.00 1.33 4.77 -0.75 -4.88 117.00 113.31 1bj4 n LEU 345 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1bj4 n LEU 345 Cb 0.09 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1bj4 n LEU 345 CO 0.34 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1bj4 n GLY 346 N 0.76 0.74 3.79 -0.72 0.00 0.06 -5.05 105.19 104.77 1bj4 n GLY 346 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bj4 n GLY 346 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj4 s TYR 347 N -2.15 3.85 -0.25 1.61 1.51 -0.21 -4.80 117.35 116.92 1bj4 s TYR 347 Ca 0.00 1.57 -0.19 0.00 -1.01 0.00 0.00 57.07 57.44 1bj4 s TYR 347 Cb 0.00 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1bj4 s TYR 347 CO 0.00 0.48 0.56 0.21 -1.11 0.00 0.00 175.55 175.68 1bj4 s LYS 348 N -1.33 4.11 -0.24 -0.62 2.20 -1.26 -4.17 119.74 118.42 1bj4 s LYS 348 Ca 0.37 0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 56.30 1bj4 s LYS 348 Cb -0.21 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 1bj4 s LYS 348 CO 0.25 -0.34 0.14 0.42 -0.36 0.00 0.00 175.35 175.46 1bj4 s ILE 349 N 2.26 5.15 0.18 5.43 -1.09 -1.26 -0.49 121.20 131.37 1bj4 s ILE 349 Ca 0.23 0.11 -0.32 0.00 -2.23 0.00 0.00 60.65 58.44 1bj4 s ILE 349 Cb -0.16 -3.40 -0.12 0.00 -1.58 0.00 0.00 42.46 37.20 1bj4 s ILE 349 CO 0.09 0.34 1.74 0.52 -1.23 0.00 0.00 174.94 176.40 1bj4 n VAL 350 N 4.44 0.10 -0.95 2.92 0.31 -0.24 0.15 118.33 125.06 1bj4 n VAL 350 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1bj4 n VAL 350 Cb 0.52 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1bj4 n VAL 350 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1bj4 n THR 351 N 4.12 0.00 0.00 2.52 5.66 -1.26 -4.03 114.28 121.30 1bj4 n THR 351 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 1bj4 n THR 351 Cb 0.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1bj4 n THR 351 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bj4 n GLY 352 N -2.00 2.83 0.00 1.09 0.00 0.12 -4.83 105.19 102.41 1bj4 n GLY 352 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bj4 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj4 n GLY 353 N -1.33 2.72 3.54 -0.02 0.00 -1.26 -4.80 105.19 104.05 1bj4 n GLY 353 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1bj4 n GLY 353 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bj4 s SER 354 N 2.00 -0.57 0.00 1.61 0.15 -1.26 -4.85 113.70 110.77 1bj4 s SER 354 Ca 0.00 0.66 0.18 0.00 0.70 0.00 0.00 55.95 57.49 1bj4 s SER 354 Cb 0.00 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1bj4 s SER 354 CO 0.00 -0.50 0.95 0.47 1.20 0.00 0.00 173.24 175.36 1bj4 n ASP 355 N 0.97 1.88 0.00 5.45 8.00 0.10 -4.92 116.55 128.02 1bj4 n ASP 355 Ca -0.16 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1bj4 n ASP 355 Cb 0.57 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 1bj4 n ASP 355 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bj4 n ASN 356 N 0.09 0.15 0.00 -2.24 0.23 -1.19 -4.92 115.26 107.38 1bj4 n ASN 356 Ca 0.08 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.27 1bj4 n ASN 356 Cb 0.39 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.75 1bj4 n ASN 356 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bj4 n HIS 357 N 0.00 0.00 -4.29 -2.53 1.44 -1.26 -4.62 115.22 103.97 1bj4 n HIS 357 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1bj4 n HIS 357 Cb 0.00 -0.37 -0.10 0.00 0.12 0.00 0.00 29.99 29.64 1bj4 n HIS 357 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1bj4 s LEU 358 N -2.74 1.59 0.04 2.39 0.05 -1.26 -0.79 118.68 117.96 1bj4 s LEU 358 Ca 0.21 -1.36 -0.09 0.00 0.05 0.00 0.00 54.13 52.94 1bj4 s LEU 358 Cb 0.19 0.09 0.00 0.00 -2.05 0.00 0.00 46.19 44.41 1bj4 s LEU 358 CO 0.46 -0.74 0.18 0.27 -0.55 0.00 0.00 176.35 175.98 1bj4 s ILE 359 N -3.82 0.11 -0.26 1.48 -4.36 -0.27 -4.61 121.20 109.47 1bj4 s ILE 359 Ca 0.37 -0.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.85 1bj4 s ILE 359 Cb 0.08 -0.92 0.05 0.00 1.25 0.00 0.00 42.46 42.92 1bj4 s ILE 359 CO 0.12 -0.51 -0.10 -0.22 0.24 0.00 0.00 174.94 174.48 1bj4 s LEU 360 N -2.11 3.37 -0.30 0.37 2.96 -1.26 -1.50 118.68 120.22 1bj4 s LEU 360 Ca -0.05 -1.27 -0.19 0.00 -0.22 0.00 0.00 54.13 52.40 1bj4 s LEU 360 Cb -0.01 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1bj4 s LEU 360 CO -0.04 -0.18 0.58 -0.69 -1.32 0.00 0.00 176.35 174.70 1bj4 s VAL 361 N 1.16 4.99 -0.72 1.68 1.01 -0.43 -1.08 120.40 127.00 1bj4 s VAL 361 Ca -0.06 0.80 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1bj4 s VAL 361 Cb -0.19 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1bj4 s VAL 361 CO -0.05 -0.08 1.16 -0.62 0.00 0.00 0.00 175.10 175.51 1bj4 s ASP 362 N 1.62 6.19 0.00 3.32 -1.08 0.35 -1.53 116.67 125.55 1bj4 s ASP 362 Ca 0.23 -0.73 0.12 0.00 -0.52 0.00 0.00 52.55 51.65 1bj4 s ASP 362 Cb -0.15 -2.50 0.60 0.00 -1.46 0.00 0.00 42.92 39.41 1bj4 s ASP 362 CO 0.11 -1.66 1.25 0.18 0.52 0.00 0.00 175.17 175.58 1bj4 n LEU 363 N 8.66 0.00 0.29 -1.34 4.77 -0.43 -2.51 117.00 126.44 1bj4 n LEU 363 Ca 0.02 0.25 0.17 0.00 -0.03 0.00 0.00 56.01 56.41 1bj4 n LEU 363 Cb 0.48 -0.25 0.88 0.00 -2.33 0.00 0.00 43.42 42.20 1bj4 n LEU 363 CO 0.68 -0.15 1.06 0.03 -1.33 0.00 0.00 177.39 177.67 1bj4 h ARG 364 N 0.00 0.00 0.00 3.23 3.08 -1.71 -0.86 114.38 118.12 1bj4 h ARG 364 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bj4 h ARG 364 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1bj4 h ARG 364 CO 0.00 0.05 -0.00 0.66 -1.07 0.00 0.00 179.97 179.61 1bj4 h SER 365 N 0.00 0.00 -0.15 7.04 4.64 -1.81 -2.18 113.55 121.09 1bj4 h SER 365 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bj4 h SER 365 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1bj4 h SER 365 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1bj4 n LYS 366 N -3.10 1.85 -2.71 4.77 4.76 -0.38 -4.94 118.16 118.41 1bj4 n LYS 366 Ca -0.01 -1.51 -0.06 0.00 -2.87 0.00 0.00 58.31 53.85 1bj4 n LYS 366 Cb 0.22 -1.16 0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1bj4 n LYS 366 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bj4 n GLY 367 N 0.25 0.45 1.24 0.72 0.00 -0.82 -5.02 105.19 101.99 1bj4 n GLY 367 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1bj4 n GLY 367 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bj4 n THR 368 N -2.89 0.00 -4.33 2.61 5.66 -0.92 -5.01 114.28 109.40 1bj4 n THR 368 Ca -0.02 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.40 1bj4 n THR 368 Cb 0.53 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.55 1bj4 n THR 368 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1bj4 s ASP 369 N -1.71 1.95 0.41 1.09 1.47 -1.26 -3.29 116.67 115.33 1bj4 s ASP 369 Ca 0.07 -1.19 0.20 0.00 1.18 0.00 0.00 52.55 52.80 1bj4 s ASP 369 Cb -0.01 -0.02 0.86 0.00 -0.34 0.00 0.00 42.92 43.41 1bj4 s ASP 369 CO 0.05 -0.47 1.83 1.23 0.68 0.00 0.00 175.17 178.49 1bj4 h GLY 370 N 2.48 0.00 0.89 2.12 0.00 -0.68 -2.47 103.07 105.42 1bj4 h GLY 370 Ca -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1bj4 h GLY 370 CO 0.65 0.00 0.04 -1.33 0.00 0.00 0.00 176.54 175.90 1bj4 h GLY 371 N 1.64 0.14 0.99 4.60 0.00 -1.82 0.13 103.07 108.74 1bj4 h GLY 371 Ca -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1bj4 h GLY 371 CO 0.04 0.06 -0.45 3.21 0.00 0.00 0.00 176.54 179.41 1bj4 h ARG 372 N 0.01 0.68 -0.36 4.80 3.08 -1.91 -3.19 114.38 117.50 1bj4 h ARG 372 Ca 0.03 -0.44 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 1bj4 h ARG 372 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1bj4 h ARG 372 CO -0.00 1.06 0.03 0.00 -1.07 0.00 0.00 179.97 179.99 1bj4 h ALA 373 N 0.61 1.40 -0.30 0.04 0.00 -1.41 -2.77 119.26 116.83 1bj4 h ALA 373 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bj4 h ALA 373 Cb 1.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bj4 h ALA 373 CO 0.10 0.43 0.18 1.49 0.00 0.00 0.00 179.25 181.45 1bj4 h GLU 374 N 0.52 0.40 -0.41 0.00 4.81 -0.95 -1.54 114.58 117.40 1bj4 h GLU 374 Ca 0.12 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1bj4 h GLU 374 Cb 0.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1bj4 h GLU 374 CO 0.01 0.30 0.06 0.87 -0.73 0.00 0.00 179.01 179.51 1bj4 h LYS 375 N 0.38 0.69 0.02 1.92 6.56 -1.50 -1.84 116.57 122.80 1bj4 h LYS 375 Ca 0.11 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1bj4 h LYS 375 Cb -0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1bj4 h LYS 375 CO -0.02 0.74 -0.01 0.28 -2.06 0.00 0.00 179.45 178.38 1bj4 h VAL 376 N 0.54 1.07 -0.76 0.50 2.07 -1.41 -1.49 116.25 116.77 1bj4 h VAL 376 Ca 0.12 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1bj4 h VAL 376 Cb 0.39 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1bj4 h VAL 376 CO 0.01 0.07 0.50 -0.07 0.02 0.00 0.00 177.57 178.10 1bj4 h LEU 377 N -0.14 0.72 -0.54 2.57 3.38 -1.26 -1.45 115.31 118.59 1bj4 h LEU 377 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1bj4 h LEU 377 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1bj4 h LEU 377 CO 0.00 0.47 0.06 -0.08 0.09 0.00 0.00 178.44 178.98 1bj4 h GLU 378 N 0.82 0.91 0.00 1.13 4.81 -0.96 0.46 114.58 121.75 1bj4 h GLU 378 Ca 0.33 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1bj4 h GLU 378 Cb 0.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bj4 h GLU 378 CO -0.11 0.89 0.00 0.00 -0.73 0.00 0.00 179.01 179.06 1bj4 h ALA 379 N 0.98 1.00 -0.41 2.92 0.00 -0.22 -0.75 119.26 122.78 1bj4 h ALA 379 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bj4 h ALA 379 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bj4 h ALA 379 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1bj4 n SER 381 N 0.32 -4.26 -4.39 0.00 7.64 -0.29 -4.40 113.62 108.24 1bj4 n SER 381 Ca 0.20 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.89 1bj4 n SER 381 Cb 0.76 -2.91 -0.10 0.00 -1.01 0.00 0.00 64.21 60.95 1bj4 n SER 381 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bj4 s ILE 382 N -2.46 4.90 -0.20 0.44 -1.09 0.16 -0.98 121.20 121.96 1bj4 s ILE 382 Ca 0.00 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.34 1bj4 s ILE 382 Cb 0.00 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1bj4 s ILE 382 CO 0.00 -0.37 0.43 0.00 -1.23 0.00 0.00 174.94 173.77 1bj4 s ALA 383 N 1.60 3.55 0.35 9.38 0.00 0.03 -2.84 121.76 133.83 1bj4 s ALA 383 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1bj4 s ALA 383 Cb -0.21 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1bj4 s ALA 383 CO 0.07 -0.35 0.81 0.00 0.00 0.00 0.00 175.76 176.29 1bj4 s ASN 385 N -3.08 0.49 0.83 0.00 4.22 -1.24 -4.91 114.94 111.25 1bj4 s ASN 385 Ca 0.17 -0.41 -0.11 0.00 -2.14 0.00 0.00 52.86 50.37 1bj4 s ASN 385 Cb -0.04 0.04 0.09 0.00 1.28 0.00 0.00 41.25 42.62 1bj4 s ASN 385 CO 0.10 -0.18 1.10 -1.59 -2.04 0.00 0.00 177.10 174.49 1bj4 s LYS 386 N -1.17 1.80 -0.29 3.55 -2.85 -1.26 -0.68 119.74 118.84 1bj4 s LYS 386 Ca -0.10 1.14 -0.17 0.00 -1.00 0.00 0.00 55.97 55.84 1bj4 s LYS 386 Cb -0.08 -1.85 0.16 0.00 -2.06 0.00 0.00 37.83 34.01 1bj4 s LYS 386 CO -0.00 -1.96 1.07 1.21 0.10 0.00 0.00 175.35 175.77 1bj4 s ASN 387 N -3.28 -0.38 0.53 0.03 2.47 -0.80 -4.65 114.94 108.86 1bj4 s ASN 387 Ca 0.63 0.62 -0.22 0.00 0.42 0.00 0.00 52.86 54.30 1bj4 s ASN 387 Cb -0.18 1.07 -0.05 0.00 -1.45 0.00 0.00 41.25 40.64 1bj4 s ASN 387 CO 0.57 -0.10 1.34 0.42 -3.72 0.00 0.00 177.10 175.61 1bj4 s THR 388 N 1.09 2.18 0.19 -5.21 -4.23 -1.26 -1.69 115.64 106.71 1bj4 s THR 388 Ca -0.07 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1bj4 s THR 388 Cb -0.04 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1bj4 s THR 388 CO -0.13 -0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.11 1bj4 s PRO 390 N -3.33 3.91 0.00 0.00 0.02 -1.26 -1.62 135.00 132.72 1bj4 s PRO 390 Ca 0.32 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1bj4 s PRO 390 Cb -0.09 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.24 1bj4 s PRO 390 CO 0.24 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 1bj4 n GLY 391 N 4.76 1.04 3.68 0.52 0.00 -1.26 -4.80 105.19 109.13 1bj4 n GLY 391 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1bj4 n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bj4 s ASP 392 N -1.69 7.15 0.00 1.61 1.11 -0.64 -4.92 116.67 119.28 1bj4 s ASP 392 Ca 0.00 1.53 0.22 0.00 0.18 0.00 0.00 52.55 54.49 1bj4 s ASP 392 Cb 0.00 -2.55 1.26 0.00 1.07 0.00 0.00 42.92 42.70 1bj4 s ASP 392 CO 0.00 -0.57 1.82 -2.11 1.18 0.00 0.00 175.17 175.49 1bj4 n ARG 393 N 5.61 1.11 -3.61 8.23 0.00 -1.26 -4.76 116.66 121.97 1bj4 n ARG 393 Ca 0.11 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.85 57.77 1bj4 n ARG 393 Cb 0.47 -1.36 -0.05 0.00 -0.00 0.00 0.00 32.46 31.52 1bj4 n ARG 393 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bj4 s SER 394 N -1.70 -0.98 0.00 2.89 0.15 -1.26 -5.01 113.70 107.79 1bj4 s SER 394 Ca 0.34 1.40 0.22 0.00 0.70 0.00 0.00 55.95 58.60 1bj4 s SER 394 Cb 0.16 1.92 1.13 0.00 -1.71 0.00 0.00 66.02 67.52 1bj4 s SER 394 CO 0.26 -0.20 1.71 0.00 1.20 0.00 0.00 173.24 176.21 1bj4 n ALA 395 N 5.00 2.15 0.07 5.45 0.00 -1.26 -2.71 120.51 129.22 1bj4 n ALA 395 Ca -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 1bj4 n ALA 395 Cb 0.52 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 1bj4 n ALA 395 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bj4 h LEU 396 N 0.00 0.00 -6.14 0.00 5.85 -2.00 -3.37 115.31 109.65 1bj4 h LEU 396 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 1bj4 h LEU 396 Cb 0.19 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 40.81 1bj4 h LEU 396 CO 0.00 0.84 -0.75 -1.14 -0.34 0.00 0.00 178.44 177.05 1bj4 n ARG 397 N -3.27 1.97 -1.89 1.25 0.63 -1.10 -5.00 116.66 109.26 1bj4 n ARG 397 Ca -0.01 -4.23 -0.42 0.00 -0.92 0.00 0.00 57.85 52.27 1bj4 n ARG 397 Cb 0.89 -1.94 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 1bj4 n ARG 397 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1bj4 s PRO 398 N -2.08 4.19 0.32 -0.14 0.04 -1.25 -4.84 135.00 131.23 1bj4 s PRO 398 Ca 0.38 2.43 0.17 0.00 0.04 0.00 0.00 61.00 64.02 1bj4 s PRO 398 Cb 0.15 -3.12 0.28 0.00 0.04 0.00 0.00 34.50 31.86 1bj4 s PRO 398 CO -0.04 -0.61 1.54 0.77 0.04 0.00 0.00 177.00 178.70 1bj4 h SER 399 N 6.34 0.00 -5.99 6.66 0.02 -1.90 0.11 113.55 118.79 1bj4 h SER 399 Ca -0.44 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.04 1bj4 h SER 399 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1bj4 h SER 399 CO 0.89 0.45 -0.14 0.61 -1.14 0.00 0.00 176.83 177.49 1bj4 n GLY 400 N 0.91 2.33 2.80 -3.77 0.00 -0.68 -1.32 105.19 105.46 1bj4 n GLY 400 Ca 0.01 -2.25 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 1bj4 n GLY 400 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj4 s LEU 401 N 0.00 1.14 -0.25 0.99 1.43 -0.58 -1.91 118.68 119.50 1bj4 s LEU 401 Ca 0.42 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 1bj4 s LEU 401 Cb -0.03 -0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1bj4 s LEU 401 CO 0.27 -0.11 0.42 -0.60 0.23 0.00 0.00 176.35 176.56 1bj4 s ARG 402 N 1.03 4.07 -0.12 1.70 3.52 0.14 -1.31 118.95 127.97 1bj4 s ARG 402 Ca -0.09 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 1bj4 s ARG 402 Cb -0.13 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 1bj4 s ARG 402 CO -0.02 -0.24 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.49 1bj4 s LEU 403 N 1.95 2.13 0.15 -0.88 1.43 -0.56 -3.63 118.68 119.28 1bj4 s LEU 403 Ca 0.18 -0.57 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1bj4 s LEU 403 Cb -0.15 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1bj4 s LEU 403 CO 0.09 0.12 -0.20 -0.83 0.23 0.00 0.00 176.35 175.76 1bj4 s GLY 404 N 0.56 1.42 -0.00 -3.19 0.00 0.09 -1.11 107.32 105.08 1bj4 s GLY 404 Ca -0.13 -1.45 0.17 0.00 0.00 0.00 0.00 44.72 43.31 1bj4 s GLY 404 CO 0.04 -1.48 0.70 -1.30 0.00 0.00 0.00 173.10 171.06 1bj4 n THR 405 N 0.52 0.00 -0.37 0.90 -2.24 0.03 -4.48 114.28 108.65 1bj4 n THR 405 Ca -0.15 -0.13 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1bj4 n THR 405 Cb 0.56 0.89 0.22 0.00 -2.10 0.00 0.00 70.33 69.90 1bj4 n THR 405 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1bj4 h PRO 406 N 0.00 1.02 0.68 -0.78 0.13 -1.86 -1.61 132.00 129.58 1bj4 h PRO 406 Ca 0.00 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1bj4 h PRO 406 Cb 0.46 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 31.37 1bj4 h PRO 406 CO 0.00 0.67 -0.33 0.00 -0.23 0.00 0.00 178.00 178.11 1bj4 h ALA 407 N 1.52 -0.92 -0.34 -0.56 0.00 -1.80 -2.41 119.26 114.75 1bj4 h ALA 407 Ca 0.48 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1bj4 h ALA 407 Cb 0.40 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1bj4 h ALA 407 CO -0.24 -1.00 -0.12 -0.07 0.00 0.00 0.00 179.25 177.82 1bj4 h LEU 408 N -0.95 0.57 -1.27 0.00 3.38 -1.64 -2.70 115.31 112.71 1bj4 h LEU 408 Ca -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1bj4 h LEU 408 Cb 0.71 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1bj4 h LEU 408 CO 0.15 0.73 0.33 0.74 0.09 0.00 0.00 178.44 180.48 1bj4 h THR 409 N 0.54 1.18 0.00 0.22 2.02 -1.25 -0.73 112.91 114.90 1bj4 h THR 409 Ca 0.10 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1bj4 h THR 409 Cb 0.53 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1bj4 h THR 409 CO 0.03 0.20 -0.08 0.28 0.37 0.00 0.00 175.52 176.32 1bj4 h SER 410 N 0.84 0.00 0.60 4.18 0.02 -1.09 -1.60 113.55 116.50 1bj4 h SER 410 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1bj4 h SER 410 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1bj4 h SER 410 CO -0.04 0.08 -0.22 0.54 -1.14 0.00 0.00 176.83 176.06 1bj4 n ARG 411 N -3.50 0.24 0.00 3.45 1.74 -0.29 -4.89 116.66 113.41 1bj4 n ARG 411 Ca -0.02 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1bj4 n ARG 411 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1bj4 n ARG 411 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bj4 n GLY 412 N 1.43 1.07 3.66 -0.13 0.00 -0.60 -3.98 105.19 106.63 1bj4 n GLY 412 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1bj4 n GLY 412 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bj4 n LEU 413 N 0.00 3.34 0.00 0.99 7.99 -1.13 -5.01 117.00 123.18 1bj4 n LEU 413 Ca 0.00 1.07 -0.28 0.00 -0.01 0.00 0.00 56.01 56.79 1bj4 n LEU 413 Cb 0.00 -1.43 -0.06 0.00 -0.11 0.00 0.00 43.42 41.82 1bj4 n LEU 413 CO 0.00 -1.08 -0.20 0.18 -1.51 0.00 0.00 177.39 174.79 1bj4 n LEU 414 N 0.32 0.00 -0.16 2.23 4.77 -1.26 -4.66 117.00 118.24 1bj4 n LEU 414 Ca 0.08 -2.96 -0.03 0.00 -0.03 0.00 0.00 56.01 53.07 1bj4 n LEU 414 Cb 0.39 0.58 0.03 0.00 -2.33 0.00 0.00 43.42 42.09 1bj4 n LEU 414 CO 0.58 -0.43 0.73 -0.33 -1.33 0.00 0.00 177.39 176.61 1bj4 h GLU 415 N 0.00 -0.06 -0.83 3.23 3.07 -1.93 0.17 114.58 118.24 1bj4 h GLU 415 Ca -0.36 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.56 1bj4 h GLU 415 Cb 1.17 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 1bj4 h GLU 415 CO 0.58 -0.04 0.51 1.57 -1.40 0.00 0.00 179.01 180.24 1bj4 h LYS 416 N -0.06 0.92 -0.49 2.33 -0.00 -2.00 -1.49 116.57 115.79 1bj4 h LYS 416 Ca 0.24 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.65 60.79 1bj4 h LYS 416 Cb 0.42 -0.21 -0.02 0.00 -0.00 0.00 0.00 32.23 32.42 1bj4 h LYS 416 CO -0.54 0.61 0.12 -0.44 -0.00 0.00 0.00 179.45 179.20 1bj4 h ASP 417 N 0.95 0.74 0.45 7.07 3.32 -1.56 -2.35 116.42 125.04 1bj4 h ASP 417 Ca 0.35 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1bj4 h ASP 417 Cb 0.13 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1bj4 h ASP 417 CO -0.16 0.77 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.78 1bj4 h PHE 418 N 0.67 0.00 -0.08 4.55 0.04 -0.33 0.94 116.94 122.73 1bj4 h PHE 418 Ca 0.15 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.69 1bj4 h PHE 418 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1bj4 h PHE 418 CO 0.02 0.09 -0.87 1.96 -0.60 0.00 0.00 178.31 178.91 1bj4 h GLN 419 N 0.00 0.68 -0.61 1.51 4.20 -0.83 0.21 115.11 120.27 1bj4 h GLN 419 Ca -0.00 -0.62 -0.08 0.00 0.06 0.00 0.00 58.65 58.00 1bj4 h GLN 419 Cb 0.34 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1bj4 h GLN 419 CO 0.01 1.23 0.05 -0.22 -0.67 0.00 0.00 178.83 179.23 1bj4 h LYS 420 N 0.43 1.03 -0.71 1.46 3.64 -0.73 -1.45 116.57 120.24 1bj4 h LYS 420 Ca -0.08 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1bj4 h LYS 420 Cb 1.50 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1bj4 h LYS 420 CO 0.17 0.98 0.32 0.28 -2.27 0.00 0.00 179.45 178.93 1bj4 h VAL 421 N 0.96 1.24 -0.76 2.00 2.07 -0.71 -1.05 116.25 120.00 1bj4 h VAL 421 Ca 0.18 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1bj4 h VAL 421 Cb 0.49 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1bj4 h VAL 421 CO 0.02 0.29 0.48 0.00 0.02 0.00 0.00 177.57 178.38 1bj4 h ALA 422 N 1.15 1.01 -0.31 1.67 0.00 -0.23 -0.22 119.26 122.32 1bj4 h ALA 422 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1bj4 h ALA 422 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1bj4 h ALA 422 CO -0.03 0.27 0.14 0.45 0.00 0.00 0.00 179.25 180.09 1bj4 h HIS 423 N 0.93 0.45 -0.84 0.00 -0.00 -0.59 -1.07 115.15 114.03 1bj4 h HIS 423 Ca 0.31 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.69 1bj4 h HIS 423 Cb 0.03 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.25 1bj4 h HIS 423 CO -0.04 0.40 0.54 0.74 -0.00 0.00 0.00 177.93 179.58 1bj4 h PHE 424 N 0.36 1.01 -0.37 2.45 0.04 -0.67 -1.42 116.94 118.34 1bj4 h PHE 424 Ca 0.11 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1bj4 h PHE 424 Cb 0.13 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1bj4 h PHE 424 CO -0.02 0.56 0.18 0.82 -0.60 0.00 0.00 178.31 179.25 1bj4 h ILE 425 N 1.03 1.17 -0.82 -0.55 2.04 -0.67 -2.31 117.51 117.40 1bj4 h ILE 425 Ca 0.34 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1bj4 h ILE 425 Cb 0.04 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1bj4 h ILE 425 CO -0.13 0.18 0.53 -0.74 0.00 0.00 0.00 178.15 177.99 1bj4 h HIS 426 N 0.46 0.99 -0.60 1.37 2.76 -0.60 -0.76 115.15 118.77 1bj4 h HIS 426 Ca 0.13 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1bj4 h HIS 426 Cb 0.13 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1bj4 h HIS 426 CO -0.01 0.58 0.40 0.00 -1.30 0.00 0.00 177.93 177.60 1bj4 h ARG 427 N 1.04 0.70 -0.41 5.26 3.08 -0.96 0.58 114.38 123.66 1bj4 h ARG 427 Ca 0.32 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1bj4 h ARG 427 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1bj4 h ARG 427 CO -0.10 0.46 -0.08 0.78 -1.07 0.00 0.00 179.97 179.96 1bj4 h GLY 428 N 0.72 0.77 1.41 0.04 0.00 -0.62 -2.13 103.07 103.26 1bj4 h GLY 428 Ca 0.24 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1bj4 h GLY 428 CO -0.06 0.51 -0.39 -2.22 0.00 0.00 0.00 176.54 174.38 1bj4 h ILE 429 N 0.65 1.29 -0.22 2.60 1.08 -0.05 -0.96 117.51 121.90 1bj4 h ILE 429 Ca 0.12 -1.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1bj4 h ILE 429 Cb 0.53 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1bj4 h ILE 429 CO 0.03 0.50 0.12 -0.33 -0.69 0.00 0.00 178.15 177.78 1bj4 h GLU 430 N 0.54 0.30 -0.80 2.37 5.08 -0.80 0.11 114.58 121.39 1bj4 h GLU 430 Ca 0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1bj4 h GLU 430 Cb 0.91 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1bj4 h GLU 430 CO 0.08 0.28 0.53 1.25 -1.00 0.00 0.00 179.01 180.14 1bj4 h LEU 431 N 0.25 0.87 -0.06 1.33 6.46 -1.22 0.29 115.31 123.23 1bj4 h LEU 431 Ca 0.08 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1bj4 h LEU 431 Cb 0.06 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1bj4 h LEU 431 CO -0.01 0.60 0.01 0.74 -0.62 0.00 0.00 178.44 179.17 1bj4 h THR 432 N 1.01 1.19 -1.01 1.05 2.02 -0.48 -2.16 112.91 114.54 1bj4 h THR 432 Ca 0.31 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1bj4 h THR 432 Cb 0.00 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1bj4 h THR 432 CO -0.09 0.16 0.66 -0.07 0.37 0.00 0.00 175.52 176.56 1bj4 h LEU 433 N -0.12 1.12 0.11 2.58 3.38 -0.00 0.04 115.31 122.41 1bj4 h LEU 433 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bj4 h LEU 433 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1bj4 h LEU 433 CO 0.00 0.79 -0.06 1.56 0.09 0.00 0.00 178.44 180.82 1bj4 h GLN 434 N 1.31 -0.15 -0.69 1.13 4.20 -0.80 -1.62 115.11 118.48 1bj4 h GLN 434 Ca 0.39 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 59.04 1bj4 h GLN 434 Cb -0.07 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1bj4 h GLN 434 CO -0.11 -0.10 0.18 0.82 -0.67 0.00 0.00 178.83 178.95 1bj4 h ILE 435 N -0.16 1.26 -0.56 2.54 2.04 -1.09 -0.95 117.51 120.59 1bj4 h ILE 435 Ca -0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1bj4 h ILE 435 Cb 0.13 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1bj4 h ILE 435 CO 0.01 0.36 0.35 -0.61 0.00 0.00 0.00 178.15 178.27 1bj4 h GLN 436 N 1.04 0.75 0.00 2.37 4.15 -0.75 -2.08 115.11 120.59 1bj4 h GLN 436 Ca 0.22 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 1bj4 h GLN 436 Cb 0.35 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1bj4 h GLN 436 CO -0.00 0.52 -0.78 0.66 -1.93 0.00 0.00 178.83 177.31 1bj4 h SER 437 N 0.75 0.00 0.65 -0.69 4.64 -1.21 -3.18 113.55 114.51 1bj4 h SER 437 Ca 0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1bj4 h SER 437 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1bj4 h SER 437 CO -0.04 0.78 -0.30 -0.78 -0.87 0.00 0.00 176.83 175.62 1bj4 h ASP 438 N 0.00 0.00 -0.25 4.97 3.58 -0.84 -2.98 116.42 120.90 1bj4 h ASP 438 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1bj4 h ASP 438 Cb 1.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1bj4 h ASP 438 CO 0.10 0.30 0.00 1.07 -2.88 0.00 0.00 179.24 177.83 1bj4 n THR 439 N -3.64 0.31 0.00 2.25 5.66 -0.81 -5.08 114.28 112.97 1bj4 n THR 439 Ca -0.01 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1bj4 n THR 439 Cb 0.42 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 1bj4 n THR 439 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bj4 n GLY 440 N 1.40 1.17 0.12 1.09 0.00 -1.13 -4.45 105.19 103.39 1bj4 n GLY 440 Ca 0.17 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1bj4 n GLY 440 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bj4 h VAL 441 N 0.00 0.00 -0.61 1.61 -1.51 -1.86 -3.32 116.25 110.55 1bj4 h VAL 441 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1bj4 h VAL 441 Cb 0.00 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1bj4 h VAL 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1bj4 n ALA 442 N -2.04 2.97 -1.71 5.19 0.00 -1.26 -5.01 120.51 118.65 1bj4 n ALA 442 Ca 0.02 -1.60 -0.32 0.00 0.00 0.00 0.00 53.44 51.54 1bj4 n ALA 442 Cb 0.51 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 19.03 1bj4 n ALA 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bj4 s ALA 443 N -1.80 2.86 0.33 0.00 0.00 -1.25 -5.08 121.76 116.83 1bj4 s ALA 443 Ca 0.48 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.69 1bj4 s ALA 443 Cb 0.31 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1bj4 s ALA 443 CO 0.24 -0.76 0.46 0.95 0.00 0.00 0.00 175.76 176.64 1bj4 s THR 444 N -2.77 4.04 0.46 0.00 -4.23 -1.26 -5.00 115.64 106.87 1bj4 s THR 444 Ca 0.60 -1.02 0.14 0.00 -1.18 0.00 0.00 61.69 60.23 1bj4 s THR 444 Cb -0.13 -3.39 0.20 0.00 1.34 0.00 0.00 72.50 70.52 1bj4 s THR 444 CO 0.43 -0.16 2.02 0.25 -0.54 0.00 0.00 174.62 176.62 1bj4 h LEU 445 N 0.91 0.04 -0.12 4.79 5.85 -1.99 -2.13 115.31 122.67 1bj4 h LEU 445 Ca -0.46 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1bj4 h LEU 445 Cb 1.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1bj4 h LEU 445 CO 0.53 0.17 0.07 0.50 -0.34 0.00 0.00 178.44 179.37 1bj4 h LYS 446 N 0.05 0.16 -0.41 1.25 3.64 -2.00 -2.07 116.57 117.18 1bj4 h LYS 446 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1bj4 h LYS 446 Cb 0.24 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1bj4 h LYS 446 CO 0.02 0.14 -0.14 0.93 -2.27 0.00 0.00 179.45 178.12 1bj4 h GLU 447 N 0.13 0.76 -0.45 1.90 5.08 -1.84 -2.92 114.58 117.24 1bj4 h GLU 447 Ca 0.04 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1bj4 h GLU 447 Cb 0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1bj4 h GLU 447 CO -0.01 0.86 0.29 0.35 -1.00 0.00 0.00 179.01 179.50 1bj4 h PHE 448 N 0.68 0.54 -0.56 4.33 3.04 -1.18 -1.62 116.94 122.17 1bj4 h PHE 448 Ca 0.11 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1bj4 h PHE 448 Cb 0.62 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 1bj4 h PHE 448 CO 0.03 0.33 0.31 0.87 -2.02 0.00 0.00 178.31 177.84 1bj4 h LYS 449 N 0.58 0.76 -0.22 1.11 1.57 -1.23 -1.20 116.57 117.94 1bj4 h LYS 449 Ca 0.17 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1bj4 h LYS 449 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1bj4 h LYS 449 CO -0.05 0.55 -0.11 0.93 -0.57 0.00 0.00 179.45 180.20 1bj4 h GLU 450 N 0.77 0.47 -0.38 3.15 5.08 -1.24 -2.24 114.58 120.18 1bj4 h GLU 450 Ca 0.20 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1bj4 h GLU 450 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1bj4 h GLU 450 CO -0.03 0.75 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.59 1bj4 h ARG 451 N 0.18 0.63 -0.17 2.33 9.65 -1.02 0.18 114.38 126.16 1bj4 h ARG 451 Ca 0.05 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1bj4 h ARG 451 Cb 0.61 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1bj4 h ARG 451 CO 0.03 0.68 0.07 1.25 2.80 0.00 0.00 179.97 184.81 1bj4 h LEU 452 N 0.59 0.23 -0.10 3.80 5.85 -1.16 -2.10 115.31 122.43 1bj4 h LEU 452 Ca 0.12 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1bj4 h LEU 452 Cb 0.44 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1bj4 h LEU 452 CO 0.02 0.33 -0.00 0.00 -0.34 0.00 0.00 178.44 178.45 1bj4 n ALA 453 N -2.23 2.66 -1.01 1.25 0.00 -0.85 -4.61 120.51 115.72 1bj4 n ALA 453 Ca -0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1bj4 n ALA 453 Cb 0.12 -1.48 0.23 0.00 0.00 0.00 0.00 19.45 18.32 1bj4 n ALA 453 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bj4 s GLY 454 N -2.07 1.56 0.18 0.00 0.00 0.03 -4.92 107.32 102.10 1bj4 s GLY 454 Ca 0.45 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.43 1bj4 s GLY 454 CO 0.38 0.07 1.41 -0.55 0.00 0.00 0.00 173.10 174.41 1bj4 h ASP 455 N -2.50 0.33 -0.44 1.64 3.32 -1.89 -3.05 116.42 113.83 1bj4 h ASP 455 Ca -0.48 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.35 1bj4 h ASP 455 Cb 1.31 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1bj4 h ASP 455 CO 0.41 1.01 0.25 0.50 -1.72 0.00 0.00 179.24 179.68 1bj4 h LYS 456 N 0.16 0.48 -0.70 3.56 3.64 -1.94 -2.91 116.57 118.87 1bj4 h LYS 456 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1bj4 h LYS 456 Cb 1.41 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1bj4 h LYS 456 CO 0.13 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.29 1bj4 n TYR 457 N -4.86 0.95 -0.07 1.91 4.01 -1.25 -4.51 117.16 113.33 1bj4 n TYR 457 Ca 0.02 -0.47 -0.09 0.00 -0.16 0.00 0.00 57.90 57.20 1bj4 n TYR 457 Cb 0.08 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1bj4 n TYR 457 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1bj4 h GLN 458 N 4.08 0.32 -0.40 -0.72 4.15 -1.39 -2.15 115.11 118.99 1bj4 h GLN 458 Ca 0.00 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1bj4 h GLN 458 Cb 0.95 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1bj4 h GLN 458 CO 0.01 0.21 -0.27 0.00 -1.93 0.00 0.00 178.83 176.85 1bj4 h ALA 459 N 1.12 0.57 -0.43 3.38 0.00 -1.79 -2.54 119.26 119.58 1bj4 h ALA 459 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1bj4 h ALA 459 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1bj4 h ALA 459 CO -0.05 0.59 0.24 0.00 0.00 0.00 0.00 179.25 180.03 1bj4 h ALA 460 N 0.80 0.54 0.00 0.00 0.00 -1.82 -0.50 119.26 118.27 1bj4 h ALA 460 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bj4 h ALA 460 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bj4 h ALA 460 CO 0.07 0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.66 1bj4 h VAL 461 N 0.56 1.04 -0.95 0.00 2.07 -1.40 -2.24 116.25 115.33 1bj4 h VAL 461 Ca 0.15 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1bj4 h VAL 461 Cb 0.04 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1bj4 h VAL 461 CO -0.03 0.03 0.63 -0.61 0.02 0.00 0.00 177.57 177.61 1bj4 h GLN 462 N -0.05 1.23 0.44 1.57 4.15 -1.31 0.21 115.11 121.35 1bj4 h GLN 462 Ca -0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1bj4 h GLN 462 Cb 0.05 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 1bj4 h GLN 462 CO 0.00 0.82 -0.25 0.00 -1.93 0.00 0.00 178.83 177.47 1bj4 h ALA 463 N 1.35 -0.64 -0.62 3.38 0.00 -0.88 -0.07 119.26 121.79 1bj4 h ALA 463 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1bj4 h ALA 463 Cb -0.12 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1bj4 h ALA 463 CO -0.08 -0.87 0.17 1.25 0.00 0.00 0.00 179.25 179.72 1bj4 h LEU 464 N -0.64 0.93 -0.31 0.00 5.85 -1.21 -2.44 115.31 117.48 1bj4 h LEU 464 Ca -0.05 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1bj4 h LEU 464 Cb 0.52 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1bj4 h LEU 464 CO 0.07 0.91 0.14 -0.09 -0.34 0.00 0.00 178.44 179.13 1bj4 h ARG 465 N 0.90 0.29 -0.78 1.25 2.43 -0.44 -1.13 114.38 116.90 1bj4 h ARG 465 Ca 0.20 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1bj4 h ARG 465 Cb 0.33 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1bj4 h ARG 465 CO -0.00 0.19 0.40 0.93 -1.51 0.00 0.00 179.97 179.99 1bj4 h GLU 466 N 0.30 1.10 -0.25 0.20 5.08 -0.88 1.00 114.58 121.14 1bj4 h GLU 466 Ca 0.13 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1bj4 h GLU 466 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1bj4 h GLU 466 CO -0.11 0.84 -0.19 1.49 -1.00 0.00 0.00 179.01 180.04 1bj4 h GLU 467 N 1.09 0.45 0.07 2.33 4.81 -1.11 -1.15 114.58 121.07 1bj4 h GLU 467 Ca 0.27 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1bj4 h GLU 467 Cb 0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1bj4 h GLU 467 CO -0.04 0.62 -0.04 0.28 -0.73 0.00 0.00 179.01 179.11 1bj4 h VAL 468 N 0.40 1.20 -0.78 0.32 2.07 -0.64 -2.93 116.25 115.89 1bj4 h VAL 468 Ca 0.07 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1bj4 h VAL 468 Cb 0.57 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1bj4 h VAL 468 CO 0.04 0.26 0.52 -0.33 0.02 0.00 0.00 177.57 178.08 1bj4 h GLU 469 N -0.60 1.03 0.00 1.57 5.08 -0.69 -1.20 114.58 119.77 1bj4 h GLU 469 Ca -0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1bj4 h GLU 469 Cb 0.50 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1bj4 h GLU 469 CO 0.02 0.68 -0.45 0.66 -1.00 0.00 0.00 179.01 178.92 1bj4 h SER 470 N 1.06 0.00 -0.01 1.42 4.64 -1.27 -1.17 113.55 118.22 1bj4 h SER 470 Ca 0.29 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 1bj4 h SER 470 Cb -0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1bj4 h SER 470 CO -0.06 0.45 -0.58 0.15 -0.87 0.00 0.00 176.83 175.92 1bj4 h PHE 471 N 0.00 0.62 -0.44 4.77 3.57 -1.18 -3.27 116.94 121.01 1bj4 h PHE 471 Ca -0.00 -0.32 -0.09 0.00 3.53 0.00 0.00 57.97 61.08 1bj4 h PHE 471 Cb 0.89 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1bj4 h PHE 471 CO 0.00 1.14 -0.10 0.00 -2.23 0.00 0.00 178.31 177.12 1bj4 h ALA 472 N 0.34 1.01 0.00 2.41 0.00 -1.19 -2.67 119.26 119.16 1bj4 h ALA 472 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bj4 h ALA 472 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bj4 h ALA 472 CO 0.12 0.59 0.04 0.77 0.00 0.00 0.00 179.25 180.77 1bj4 h SER 473 N 0.70 0.00 0.93 0.00 0.02 -1.26 -1.14 113.55 112.81 1bj4 h SER 473 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1bj4 h SER 473 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1bj4 h SER 473 CO 0.04 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 1bj4 n LEU 474 N -2.46 0.34 -4.64 5.07 4.77 -1.01 -4.83 117.00 114.24 1bj4 n LEU 474 Ca -0.02 0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 56.23 1bj4 n LEU 474 Cb 0.08 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1bj4 n LEU 474 CO 0.12 -0.23 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.23 1bj4 s PHE 475 N -3.09 2.85 0.62 -1.77 0.40 -0.43 -5.12 117.98 111.43 1bj4 s PHE 475 Ca 0.09 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 1bj4 s PHE 475 Cb 0.13 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 1bj4 s PHE 475 CO 0.45 0.48 1.12 -1.25 0.70 0.00 0.00 175.22 176.72 1bj4 s PRO 476 N -2.58 3.01 -0.39 0.24 0.04 -1.26 -5.03 135.00 129.03 1bj4 s PRO 476 Ca 0.25 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1bj4 s PRO 476 Cb -0.10 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.57 1bj4 s PRO 476 CO 0.17 -1.10 0.11 -1.17 0.04 0.00 0.00 177.00 175.06 1bj4 s LEU 477 N -4.49 4.73 0.25 -3.56 2.96 -1.26 -4.68 118.68 112.64 1bj4 s LEU 477 Ca 0.69 -2.34 -0.31 0.00 -0.22 0.00 0.00 54.13 51.96 1bj4 s LEU 477 Cb -0.22 -1.66 -0.14 0.00 0.50 0.00 0.00 46.19 44.68 1bj4 s LEU 477 CO 0.36 -0.36 1.32 -2.65 -1.32 0.00 0.00 176.35 173.69 1bj4 n PRO 478 N 4.03 1.86 0.00 0.98 -0.02 -1.26 -4.55 135.00 136.04 1bj4 n PRO 478 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1bj4 n PRO 478 Cb 0.40 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1bj4 n PRO 478 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj4 n GLY 479 N 1.82 0.50 2.74 -1.23 0.00 -1.26 -4.74 105.19 103.03 1bj4 n GLY 479 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1bj4 n GLY 479 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36