#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx4 s ARG 5 N 0.00 2.03 0.44 5.55 3.03 -1.26 -4.61 118.95 124.12 1bx4 s ARG 5 Ca 0.00 -2.26 -0.26 0.00 2.03 0.00 0.00 55.73 55.25 1bx4 s ARG 5 Cb 0.00 -0.90 -0.09 0.00 -1.03 0.00 0.00 34.95 32.93 1bx4 s ARG 5 CO 0.00 -0.45 1.45 -1.21 -1.13 0.00 0.00 175.30 173.96 1bx4 s GLU 6 N -3.76 3.72 -2.00 3.89 2.02 -1.26 -2.99 118.70 118.32 1bx4 s GLU 6 Ca 0.18 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.63 1bx4 s GLU 6 Cb 0.02 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1bx4 s GLU 6 CO 0.11 -0.81 0.00 0.09 0.02 0.00 0.00 175.26 174.67 1bx4 n ASN 7 N -0.13 -5.63 0.20 -0.19 3.02 0.18 -4.87 115.26 107.84 1bx4 n ASN 7 Ca 0.05 0.27 0.08 0.00 -0.03 0.00 0.00 54.58 54.95 1bx4 n ASN 7 Cb 0.41 -4.84 0.37 0.00 -0.61 0.00 0.00 39.78 35.11 1bx4 n ASN 7 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1bx4 h ILE 8 N 0.00 0.67 -3.30 2.41 6.09 -1.03 -3.08 117.51 119.27 1bx4 h ILE 8 Ca -0.45 -1.36 -0.68 0.00 -1.37 0.00 0.00 64.86 61.00 1bx4 h ILE 8 Cb 1.35 1.89 -0.33 0.00 0.47 0.00 0.00 36.82 40.20 1bx4 h ILE 8 CO 0.60 0.29 -0.88 -0.22 -3.07 0.00 0.00 178.15 174.87 1bx4 s LEU 9 N -6.82 2.09 -0.07 2.19 2.96 -0.81 -1.06 118.68 117.17 1bx4 s LEU 9 Ca 0.01 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1bx4 s LEU 9 Cb 0.10 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 1bx4 s LEU 9 CO 0.66 0.14 -0.22 0.12 -1.32 0.00 0.00 176.35 175.73 1bx4 s PHE 10 N 0.47 2.53 0.05 5.38 5.36 -0.65 -0.52 117.98 130.60 1bx4 s PHE 10 Ca -0.16 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 1bx4 s PHE 10 Cb -0.17 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1bx4 s PHE 10 CO 0.06 -0.21 -0.05 0.20 -1.46 0.00 0.00 175.22 173.76 1bx4 s GLY 11 N -0.07 0.47 -0.02 13.12 0.00 -0.35 -0.89 107.32 119.58 1bx4 s GLY 11 Ca -0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 1bx4 s GLY 11 CO 0.05 -0.97 0.28 -3.16 0.00 0.00 0.00 173.10 169.30 1bx4 s MET 12 N -2.35 0.61 0.00 2.90 0.23 -1.22 -2.01 119.30 117.46 1bx4 s MET 12 Ca -0.05 -0.18 0.00 0.00 -1.03 0.00 0.00 55.69 54.43 1bx4 s MET 12 Cb -0.04 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 1bx4 s MET 12 CO -0.03 -0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.21 1bx4 n GLY 13 N 1.43 -0.78 3.46 3.16 0.00 -0.76 -4.36 105.19 107.34 1bx4 n GLY 13 Ca -0.21 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1bx4 n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bx4 s ASN 14 N -4.00 6.16 -0.19 1.61 0.01 -1.26 -4.40 114.94 112.86 1bx4 s ASN 14 Ca 0.00 -0.88 -0.29 0.00 -0.71 0.00 0.00 52.86 50.98 1bx4 s ASN 14 Cb 0.00 -2.20 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 1bx4 s ASN 14 CO 0.00 -0.57 1.10 -2.84 -1.51 0.00 0.00 177.10 173.28 1bx4 s PRO 15 N 1.94 4.27 0.02 -0.60 0.02 -1.26 -4.38 135.00 135.01 1bx4 s PRO 15 Ca 0.09 1.46 0.03 0.00 0.02 0.00 0.00 61.00 62.60 1bx4 s PRO 15 Cb -0.19 -3.66 -0.02 0.00 0.02 0.00 0.00 34.50 30.65 1bx4 s PRO 15 CO 0.11 -0.61 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.56 1bx4 s LEU 16 N 3.11 2.13 -0.32 -5.54 1.43 -1.15 -4.30 118.68 114.05 1bx4 s LEU 16 Ca 0.48 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1bx4 s LEU 16 Cb -0.18 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1bx4 s LEU 16 CO 0.10 0.01 0.37 -0.22 0.23 0.00 0.00 176.35 176.84 1bx4 s LEU 17 N -0.88 4.29 0.12 1.79 2.96 -0.83 0.11 118.68 126.23 1bx4 s LEU 17 Ca -0.00 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 1bx4 s LEU 17 Cb -0.07 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 1bx4 s LEU 17 CO 0.01 -0.29 1.03 -1.81 -1.32 0.00 0.00 176.35 173.96 1bx4 s ASP 18 N 1.71 7.38 -0.28 3.68 1.01 0.05 -1.74 116.67 128.49 1bx4 s ASP 18 Ca 0.13 1.89 0.02 0.00 0.71 0.00 0.00 52.55 55.31 1bx4 s ASP 18 Cb -0.16 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.25 1bx4 s ASP 18 CO 0.11 -0.17 -0.04 -0.63 0.21 0.00 0.00 175.17 174.66 1bx4 s ILE 19 N 0.11 1.91 0.18 0.77 1.01 -0.28 -1.93 121.20 122.98 1bx4 s ILE 19 Ca 0.49 -1.69 0.10 0.00 0.00 0.00 0.00 60.65 59.56 1bx4 s ILE 19 Cb -0.25 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1bx4 s ILE 19 CO 0.31 -0.25 -0.17 -0.94 0.00 0.00 0.00 174.94 173.89 1bx4 s SER 20 N 1.17 3.85 -0.10 3.58 1.04 -0.87 -1.07 113.70 121.31 1bx4 s SER 20 Ca -0.01 -0.71 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 1bx4 s SER 20 Cb -0.19 -0.49 0.11 0.00 0.10 0.00 0.00 66.02 65.54 1bx4 s SER 20 CO -0.08 0.12 0.89 0.00 0.98 0.00 0.00 173.24 175.15 1bx4 s ALA 21 N -1.64 -1.86 -0.19 5.32 0.00 -0.87 -1.81 121.76 120.70 1bx4 s ALA 21 Ca 0.22 1.39 -0.24 0.00 0.00 0.00 0.00 51.96 53.33 1bx4 s ALA 21 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1bx4 s ALA 21 CO 0.12 -0.40 0.80 0.08 0.00 0.00 0.00 175.76 176.37 1bx4 s VAL 22 N -1.53 4.89 0.43 0.00 1.01 -1.26 -1.03 120.40 122.90 1bx4 s VAL 22 Ca -0.03 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1bx4 s VAL 22 Cb -0.00 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1bx4 s VAL 22 CO 0.02 0.01 0.19 1.33 0.00 0.00 0.00 175.10 176.65 1bx4 n VAL 23 N 4.88 0.00 -4.16 2.92 0.24 -0.32 -4.86 118.33 117.03 1bx4 n VAL 23 Ca 0.04 -1.81 -0.25 0.00 -2.04 0.00 0.00 64.34 60.27 1bx4 n VAL 23 Cb 0.49 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 1bx4 n VAL 23 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1bx4 s ASP 24 N -3.44 4.41 0.28 -1.34 3.84 -1.26 -4.72 116.67 114.44 1bx4 s ASP 24 Ca 0.15 -1.14 -0.00 0.00 -0.00 0.00 0.00 52.55 51.56 1bx4 s ASP 24 Cb -0.01 -0.35 0.49 0.00 -1.38 0.00 0.00 42.92 41.67 1bx4 s ASP 24 CO 0.09 -0.61 1.86 0.50 -0.00 0.00 0.00 175.17 177.02 1bx4 h LYS 25 N 1.38 1.05 -0.91 2.11 3.64 -2.00 -1.84 116.57 120.00 1bx4 h LYS 25 Ca -0.42 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1bx4 h LYS 25 Cb 1.26 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 1bx4 h LYS 25 CO 0.70 0.70 0.58 -0.44 -2.27 0.00 0.00 179.45 178.71 1bx4 h ASP 26 N 1.08 0.94 -0.34 4.20 3.32 -1.99 -1.31 116.42 122.32 1bx4 h ASP 26 Ca 0.46 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.44 1bx4 h ASP 26 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1bx4 h ASP 26 CO -0.21 0.62 -0.07 0.15 -1.72 0.00 0.00 179.24 178.00 1bx4 h PHE 27 N 1.08 0.73 -0.58 4.55 3.57 -1.75 -0.44 116.94 124.10 1bx4 h PHE 27 Ca 0.38 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1bx4 h PHE 27 Cb 0.11 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1bx4 h PHE 27 CO -0.02 0.81 0.26 -0.07 -2.23 0.00 0.00 178.31 177.06 1bx4 h LEU 28 N 0.44 0.77 -0.82 0.59 3.38 -1.16 -2.91 115.31 115.61 1bx4 h LEU 28 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1bx4 h LEU 28 Cb 0.57 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1bx4 h LEU 28 CO 0.03 0.71 0.22 0.44 0.09 0.00 0.00 178.44 179.93 1bx4 h ASP 29 N 0.79 1.03 -0.58 -0.43 3.32 -1.13 0.26 116.42 119.69 1bx4 h ASP 29 Ca 0.20 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1bx4 h ASP 29 Cb 0.16 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1bx4 h ASP 29 CO -0.02 0.96 0.38 0.50 -1.72 0.00 0.00 179.24 179.34 1bx4 h LYS 30 N 1.06 0.63 -0.35 3.56 3.64 -0.89 -2.65 116.57 121.58 1bx4 h LYS 30 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1bx4 h LYS 30 Cb 0.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1bx4 h LYS 30 CO -0.01 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 1bx4 n TYR 31 N -4.47 0.71 -3.86 1.91 4.02 -1.10 -4.98 117.16 109.38 1bx4 n TYR 31 Ca 0.07 -0.62 -0.27 0.00 -0.01 0.00 0.00 57.90 57.07 1bx4 n TYR 31 Cb 0.15 -0.13 0.02 0.00 -0.02 0.00 0.00 39.34 39.36 1bx4 n TYR 31 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1bx4 n SER 32 N 0.28 -2.63 -4.80 7.72 7.64 -0.56 -4.96 113.62 116.30 1bx4 n SER 32 Ca 0.16 -0.85 -0.38 0.00 1.01 0.00 0.00 58.87 58.81 1bx4 n SER 32 Cb 0.61 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 60.01 1bx4 n SER 32 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1bx4 s LEU 33 N -7.01 4.44 0.20 -3.43 1.43 -0.03 -5.03 118.68 109.26 1bx4 s LEU 33 Ca 0.32 1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 54.18 1bx4 s LEU 33 Cb -0.16 -2.71 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 1bx4 s LEU 33 CO 0.84 0.23 0.83 -0.75 0.23 0.00 0.00 176.35 177.73 1bx4 s LYS 34 N -0.66 4.64 0.28 1.70 2.20 -1.26 -4.72 119.74 121.91 1bx4 s LYS 34 Ca 0.26 1.25 0.01 0.00 -0.36 0.00 0.00 55.97 57.13 1bx4 s LYS 34 Cb -0.17 -3.22 0.61 0.00 -1.51 0.00 0.00 37.83 33.54 1bx4 s LYS 34 CO 0.14 0.53 1.75 -1.35 -0.36 0.00 0.00 175.35 176.07 1bx4 h PRO 35 N 4.15 0.59 -4.62 4.03 0.11 -1.97 -3.35 132.00 130.93 1bx4 h PRO 35 Ca -0.46 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 1bx4 h PRO 35 Cb 1.20 -0.13 -0.37 0.00 0.11 0.00 0.00 31.00 31.81 1bx4 h PRO 35 CO 0.66 0.39 -0.80 -0.80 -0.21 0.00 0.00 178.00 177.25 1bx4 s ASN 36 N -5.37 4.04 0.06 -2.05 -0.87 -1.26 -2.60 114.94 106.89 1bx4 s ASN 36 Ca -0.12 -1.23 -0.27 0.00 -1.57 0.00 0.00 52.86 49.68 1bx4 s ASN 36 Cb 0.23 -1.35 0.09 0.00 -0.02 0.00 0.00 41.25 40.19 1bx4 s ASN 36 CO 0.78 -0.20 0.87 -0.62 -2.57 0.00 0.00 177.10 175.37 1bx4 s ASP 37 N 1.26 -0.33 -0.04 -1.22 2.15 -1.15 -4.98 116.67 112.36 1bx4 s ASP 37 Ca -0.06 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 52.77 1bx4 s ASP 37 Cb -0.19 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1bx4 s ASP 37 CO -0.06 -0.75 0.05 -1.10 -0.17 0.00 0.00 175.17 173.14 1bx4 s GLN 38 N -3.25 0.01 0.18 4.34 -0.21 -1.26 -1.05 119.66 118.41 1bx4 s GLN 38 Ca 0.07 0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.78 1bx4 s GLN 38 Cb -0.01 -0.57 -0.04 0.00 1.00 0.00 0.00 33.01 33.39 1bx4 s GLN 38 CO -0.06 -0.33 0.11 0.96 -2.12 0.00 0.00 175.29 173.86 1bx4 s ILE 39 N 2.15 0.03 0.08 1.08 -4.36 -0.79 -4.79 121.20 114.60 1bx4 s ILE 39 Ca 0.05 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.37 1bx4 s ILE 39 Cb -0.12 -2.35 -0.06 0.00 1.25 0.00 0.00 42.46 41.18 1bx4 s ILE 39 CO -0.03 -0.15 0.44 -0.76 0.24 0.00 0.00 174.94 174.68 1bx4 s LEU 40 N -3.12 4.37 -0.06 0.37 1.43 -1.26 -1.09 118.68 119.31 1bx4 s LEU 40 Ca 0.34 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 1bx4 s LEU 40 Cb 0.07 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1bx4 s LEU 40 CO 0.09 0.18 1.07 0.00 0.23 0.00 0.00 176.35 177.92 1bx4 s ALA 41 N -1.36 3.39 0.62 4.21 0.00 0.76 -4.77 121.76 124.61 1bx4 s ALA 41 Ca 0.33 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1bx4 s ALA 41 Cb -0.15 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.64 1bx4 s ALA 41 CO 0.18 -0.58 0.80 0.39 0.00 0.00 0.00 175.76 176.55 1bx4 n GLU 42 N 4.80 0.26 0.02 0.00 1.02 -1.26 -4.86 120.64 120.61 1bx4 n GLU 42 Ca 0.09 -2.49 -0.02 0.00 -0.02 0.00 0.00 57.16 54.72 1bx4 n GLU 42 Cb 0.48 -0.43 0.25 0.00 -0.02 0.00 0.00 31.44 31.73 1bx4 n GLU 42 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1bx4 h ASP 43 N -0.27 0.45 0.14 1.62 1.82 -2.04 -2.68 116.42 115.46 1bx4 h ASP 43 Ca -0.26 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1bx4 h ASP 43 Cb 1.07 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1bx4 h ASP 43 CO 0.32 0.64 0.00 2.29 -1.61 0.00 0.00 179.24 180.88 1bx4 n LYS 44 N -4.18 0.08 -0.30 0.28 2.85 -1.26 -2.42 118.16 113.21 1bx4 n LYS 44 Ca 0.00 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.90 1bx4 n LYS 44 Cb 0.34 -1.74 0.29 0.00 -0.65 0.00 0.00 35.03 33.27 1bx4 n LYS 44 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1bx4 n HIS 45 N -1.91 0.80 0.18 5.58 8.25 -1.01 -4.39 115.22 122.72 1bx4 n HIS 45 Ca 0.00 -0.40 0.03 0.00 -0.26 0.00 0.00 57.72 57.09 1bx4 n HIS 45 Cb 0.06 0.00 0.41 0.00 1.12 0.00 0.00 29.99 31.58 1bx4 n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1bx4 h LYS 46 N 4.14 0.08 -0.19 -0.41 6.56 -1.64 -2.36 116.57 122.76 1bx4 h LYS 46 Ca 0.00 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.45 1bx4 h LYS 46 Cb 0.94 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.58 1bx4 h LYS 46 CO 0.00 0.32 -0.38 0.93 -2.06 0.00 0.00 179.45 178.26 1bx4 h GLU 47 N 0.07 0.42 0.06 3.15 4.39 -1.84 -3.30 114.58 117.53 1bx4 h GLU 47 Ca 0.01 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1bx4 h GLU 47 Cb 0.46 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1bx4 h GLU 47 CO 0.03 0.73 -0.30 1.25 -1.16 0.00 0.00 179.01 179.56 1bx4 h LEU 48 N 0.35 -0.89 -1.19 1.33 6.46 -1.71 -1.41 115.31 118.26 1bx4 h LEU 48 Ca 0.04 0.11 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1bx4 h LEU 48 Cb 0.82 0.35 -0.05 0.00 -0.73 0.00 0.00 40.66 41.05 1bx4 h LEU 48 CO 0.07 -0.38 0.56 -0.26 -0.62 0.00 0.00 178.44 177.81 1bx4 h PHE 49 N -0.49 1.02 -0.15 1.25 -1.00 -1.63 -1.40 116.94 114.53 1bx4 h PHE 49 Ca 0.05 0.03 -0.22 0.00 2.81 0.00 0.00 57.97 60.63 1bx4 h PHE 49 Cb 0.55 -0.34 0.01 0.00 3.61 0.00 0.00 35.95 39.78 1bx4 h PHE 49 CO -0.30 0.59 -0.77 -0.44 -1.61 0.00 0.00 178.31 175.78 1bx4 h ASP 50 N 1.05 0.88 -0.37 2.17 3.45 -1.58 -3.10 116.42 118.93 1bx4 h ASP 50 Ca 0.34 -0.57 -0.12 0.00 0.43 0.00 0.00 57.03 57.11 1bx4 h ASP 50 Cb 0.05 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1bx4 h ASP 50 CO -0.10 1.37 -0.20 -0.08 -1.57 0.00 0.00 179.24 178.65 1bx4 h GLU 51 N 0.51 0.86 -0.06 3.56 4.81 -1.04 -2.40 114.58 120.82 1bx4 h GLU 51 Ca -0.05 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1bx4 h GLU 51 Cb 1.39 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1bx4 h GLU 51 CO 0.15 0.98 -0.05 1.25 -0.73 0.00 0.00 179.01 180.62 1bx4 h LEU 52 N 0.75 -0.15 -1.43 1.64 5.85 -1.29 0.12 115.31 120.80 1bx4 h LEU 52 Ca 0.10 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1bx4 h LEU 52 Cb 0.74 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1bx4 h LEU 52 CO 0.06 -0.07 -0.06 0.58 -0.34 0.00 0.00 178.44 178.61 1bx4 h VAL 53 N -0.06 0.15 0.02 1.05 2.07 -1.52 -2.56 116.25 115.40 1bx4 h VAL 53 Ca 0.04 -0.64 -0.35 0.00 0.82 0.00 0.00 66.70 66.57 1bx4 h VAL 53 Cb 0.12 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1bx4 h VAL 53 CO -0.09 0.05 -2.14 1.17 0.02 0.00 0.00 177.57 176.59 1bx4 n LYS 54 N -3.18 0.68 0.01 1.57 4.81 -0.91 -4.58 118.16 116.56 1bx4 n LYS 54 Ca 0.00 0.16 0.11 0.00 -0.87 0.00 0.00 58.31 57.71 1bx4 n LYS 54 Cb 0.33 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.67 1bx4 n LYS 54 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1bx4 n LYS 55 N -3.05 0.31 -4.25 1.64 4.76 0.39 -5.01 118.16 112.95 1bx4 n LYS 55 Ca -0.30 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 54.94 1bx4 n LYS 55 Cb 1.08 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.62 1bx4 n LYS 55 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1bx4 s PHE 56 N -3.23 1.26 -0.35 2.13 0.40 -0.97 -5.08 117.98 112.15 1bx4 s PHE 56 Ca 0.02 -0.96 -0.28 0.00 -0.60 0.00 0.00 56.93 55.11 1bx4 s PHE 56 Cb 0.15 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.98 1bx4 s PHE 56 CO 0.85 -0.14 1.04 0.21 0.70 0.00 0.00 175.22 177.88 1bx4 s LYS 57 N -3.88 3.96 0.21 0.44 2.20 -1.26 -4.69 119.74 116.72 1bx4 s LYS 57 Ca 0.23 0.87 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 1bx4 s LYS 57 Cb 0.05 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1bx4 s LYS 57 CO 0.04 -0.97 0.10 0.14 -0.36 0.00 0.00 175.35 174.29 1bx4 s VAL 58 N 3.71 4.12 0.13 4.02 -7.23 -1.26 -4.53 120.40 119.35 1bx4 s VAL 58 Ca 0.44 -1.39 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1bx4 s VAL 58 Cb -0.11 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1bx4 s VAL 58 CO 0.18 -0.22 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.94 1bx4 s GLU 59 N -3.36 1.19 -0.09 4.82 2.02 -0.75 -4.98 118.70 117.55 1bx4 s GLU 59 Ca 0.31 -1.26 0.04 0.00 0.02 0.00 0.00 54.97 54.07 1bx4 s GLU 59 Cb -0.09 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.75 1bx4 s GLU 59 CO 0.22 0.31 -0.22 0.71 0.02 0.00 0.00 175.26 176.30 1bx4 s TYR 60 N -1.47 2.36 -0.03 1.61 1.51 -1.26 -2.04 117.35 118.04 1bx4 s TYR 60 Ca 0.10 -0.95 -0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1bx4 s TYR 60 Cb -0.08 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1bx4 s TYR 60 CO 0.05 -0.39 0.06 -1.01 -1.11 0.00 0.00 175.55 173.15 1bx4 s HIS 61 N 0.39 -0.05 0.26 2.71 3.76 -0.81 -5.00 115.29 116.54 1bx4 s HIS 61 Ca -0.18 0.18 -0.31 0.00 -0.15 0.00 0.00 55.06 54.60 1bx4 s HIS 61 Cb -0.18 -0.05 -0.12 0.00 1.11 0.00 0.00 32.58 33.35 1bx4 s HIS 61 CO 0.08 -0.06 1.64 0.00 -0.85 0.00 0.00 174.74 175.55 1bx4 s ALA 62 N 0.42 3.81 0.00 -1.40 0.00 -1.26 -0.77 121.76 122.56 1bx4 s ALA 62 Ca -0.03 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1bx4 s ALA 62 Cb -0.05 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1bx4 s ALA 62 CO -0.01 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1bx4 n GLY 63 N 2.79 5.14 0.00 0.00 0.00 0.12 -4.81 105.19 108.43 1bx4 n GLY 63 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1bx4 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bx4 n GLY 64 N 0.00 1.95 0.38 -0.02 0.00 -1.24 -2.93 105.19 103.33 1bx4 n GLY 64 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 1bx4 n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1bx4 h SER 65 N 0.00 -1.02 -0.81 1.61 0.87 -1.97 -0.67 113.55 111.56 1bx4 h SER 65 Ca 0.00 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1bx4 h SER 65 Cb 0.00 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1bx4 h SER 65 CO 0.00 -0.47 0.44 0.74 -0.53 0.00 0.00 176.83 177.01 1bx4 h THR 66 N -0.66 1.24 -0.77 2.23 2.02 -1.90 -2.20 112.91 112.87 1bx4 h THR 66 Ca 0.00 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1bx4 h THR 66 Cb 0.64 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1bx4 h THR 66 CO -0.14 0.27 0.51 -0.61 0.37 0.00 0.00 175.52 175.92 1bx4 h GLN 67 N 1.13 1.01 0.10 6.66 4.15 -1.79 -0.89 115.11 125.48 1bx4 h GLN 67 Ca 0.28 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1bx4 h GLN 67 Cb 0.04 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1bx4 h GLN 67 CO -0.04 0.67 -0.05 -0.91 -1.93 0.00 0.00 178.83 176.56 1bx4 h ASN 68 N 1.04 -0.12 -1.01 -0.69 2.35 -0.82 -1.66 115.58 114.68 1bx4 h ASN 68 Ca 0.29 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1bx4 h ASN 68 Cb -0.11 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1bx4 h ASN 68 CO -0.07 -0.08 0.66 0.28 -1.65 0.00 0.00 177.43 176.58 1bx4 h SER 69 N -0.14 1.13 -0.40 5.81 0.02 -1.02 -1.70 113.55 117.25 1bx4 h SER 69 Ca -0.01 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1bx4 h SER 69 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1bx4 h SER 69 CO 0.02 0.80 -0.21 0.40 -1.14 0.00 0.00 176.83 176.70 1bx4 h ILE 70 N 1.32 1.27 -0.62 3.27 1.08 -0.97 -0.92 117.51 121.95 1bx4 h ILE 70 Ca 0.38 -1.35 -0.06 0.00 -0.39 0.00 0.00 64.86 63.44 1bx4 h ILE 70 Cb -0.08 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1bx4 h ILE 70 CO -0.10 0.46 0.13 0.11 -0.69 0.00 0.00 178.15 178.06 1bx4 h LYS 71 N 0.78 1.00 -0.50 2.37 1.57 -0.98 -1.37 116.57 119.45 1bx4 h LYS 71 Ca 0.11 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1bx4 h LYS 71 Cb 0.76 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1bx4 h LYS 71 CO 0.06 0.92 -0.19 0.28 -0.57 0.00 0.00 179.45 179.95 1bx4 h VAL 72 N 0.92 1.27 -0.22 0.50 2.07 -1.19 -1.32 116.25 118.27 1bx4 h VAL 72 Ca 0.19 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1bx4 h VAL 72 Cb 0.38 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1bx4 h VAL 72 CO 0.01 0.47 0.11 0.00 0.02 0.00 0.00 177.57 178.17 1bx4 h ALA 73 N 0.90 0.29 -0.85 1.67 0.00 -0.97 -1.96 119.26 118.33 1bx4 h ALA 73 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1bx4 h ALA 73 Cb 0.76 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1bx4 h ALA 73 CO 0.06 -0.15 0.54 0.37 0.00 0.00 0.00 179.25 180.08 1bx4 h GLN 74 N 0.23 1.00 -0.47 0.00 5.75 -1.16 -1.04 115.11 119.42 1bx4 h GLN 74 Ca 0.08 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1bx4 h GLN 74 Cb 0.13 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1bx4 h GLN 74 CO -0.01 0.66 0.29 2.35 -2.65 0.00 0.00 178.83 179.48 1bx4 h TRP 75 N 1.03 0.55 -0.05 3.99 7.01 -0.85 -1.40 115.95 126.23 1bx4 h TRP 75 Ca 0.35 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 61.24 1bx4 h TRP 75 Cb 0.06 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1bx4 h TRP 75 CO -0.03 0.33 -0.55 0.52 -2.79 0.00 0.00 178.44 175.93 1bx4 h MET 76 N 0.59 0.15 -0.30 2.65 2.86 -0.92 -3.04 114.93 116.91 1bx4 h MET 76 Ca 0.18 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 1bx4 h MET 76 Cb -0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1bx4 h MET 76 CO -0.06 0.66 -0.43 0.82 1.06 0.00 0.00 176.91 178.97 1bx4 h ILE 77 N 0.11 1.29 0.00 -1.22 2.04 -0.88 -3.47 117.51 115.38 1bx4 h ILE 77 Ca -0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1bx4 h ILE 77 Cb 1.01 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1bx4 h ILE 77 CO 0.08 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1bx4 n GLN 78 N -4.03 0.00 -4.32 2.37 1.13 -0.56 -4.73 117.38 107.24 1bx4 n GLN 78 Ca -0.02 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.85 1bx4 n GLN 78 Cb 0.55 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.75 1bx4 n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1bx4 s GLN 79 N 0.00 0.80 0.73 -1.09 -1.52 -1.26 -4.39 119.66 112.92 1bx4 s GLN 79 Ca 0.00 -0.27 -0.08 0.00 -1.95 0.00 0.00 55.36 53.07 1bx4 s GLN 79 Cb 0.00 -0.76 0.07 0.00 -0.22 0.00 0.00 33.01 32.10 1bx4 s GLN 79 CO 0.00 0.11 1.05 -1.25 -0.25 0.00 0.00 175.29 174.95 1bx4 s PRO 80 N 0.12 2.12 0.60 2.91 0.04 -1.26 -4.74 135.00 134.78 1bx4 s PRO 80 Ca -0.02 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 60.65 1bx4 s PRO 80 Cb -0.07 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1bx4 s PRO 80 CO 0.00 -1.32 1.10 -1.01 0.04 0.00 0.00 177.00 175.81 1bx4 s HIS 81 N -3.31 2.72 -1.32 0.56 3.76 -1.26 -3.46 115.29 112.97 1bx4 s HIS 81 Ca 0.61 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 57.06 1bx4 s HIS 81 Cb -0.11 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1bx4 s HIS 81 CO 0.46 -1.51 0.00 1.63 -0.85 0.00 0.00 174.74 174.47 1bx4 n LYS 82 N -1.88 -1.20 0.13 1.40 5.02 -0.05 -4.79 118.16 116.81 1bx4 n LYS 82 Ca 0.10 0.76 -0.02 0.00 -2.02 0.00 0.00 58.31 57.14 1bx4 n LYS 82 Cb 0.52 -5.08 0.17 0.00 -0.02 0.00 0.00 35.03 30.61 1bx4 n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bx4 h ALA 83 N 0.66 0.97 -3.49 7.82 0.00 -1.79 0.54 119.26 123.97 1bx4 h ALA 83 Ca -0.36 -0.55 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 1bx4 h ALA 83 Cb 1.24 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 1bx4 h ALA 83 CO 0.43 0.75 -0.70 0.00 0.00 0.00 0.00 179.25 179.73 1bx4 s ALA 84 N -3.66 2.90 0.02 0.00 0.00 -1.26 -1.15 121.76 118.62 1bx4 s ALA 84 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1bx4 s ALA 84 Cb 0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1bx4 s ALA 84 CO 0.77 0.39 0.06 0.99 0.00 0.00 0.00 175.76 177.96 1bx4 s THR 85 N -0.18 4.50 -0.05 0.00 2.01 0.32 -1.11 115.64 121.13 1bx4 s THR 85 Ca 0.02 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1bx4 s THR 85 Cb -0.13 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1bx4 s THR 85 CO 0.03 0.29 0.11 0.12 -0.69 0.00 0.00 174.62 174.47 1bx4 s PHE 86 N -1.22 -0.10 0.02 4.92 5.36 -0.76 -1.21 117.98 124.97 1bx4 s PHE 86 Ca 0.24 0.34 0.09 0.00 -0.96 0.00 0.00 56.93 56.64 1bx4 s PHE 86 Cb -0.12 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 1bx4 s PHE 86 CO 0.15 -0.12 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.47 1bx4 s PHE 87 N 0.91 2.32 0.03 10.12 0.40 -0.85 -1.31 117.98 129.60 1bx4 s PHE 87 Ca -0.07 -0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 55.56 1bx4 s PHE 87 Cb -0.10 -1.44 0.10 0.00 0.51 0.00 0.00 43.02 42.10 1bx4 s PHE 87 CO -0.04 0.05 1.22 0.20 0.70 0.00 0.00 175.22 177.35 1bx4 s GLY 88 N -0.96 -0.19 -0.05 4.36 0.00 -1.24 -1.82 107.32 107.43 1bx4 s GLY 88 Ca 0.11 0.19 0.04 0.00 0.00 0.00 0.00 44.72 45.06 1bx4 s GLY 88 CO 0.01 2.74 -0.14 0.00 0.00 0.00 0.00 173.10 175.70 1bx4 s ILE 90 N -0.70 0.19 0.60 0.00 -4.36 -0.23 -3.55 121.20 113.14 1bx4 s ILE 90 Ca 0.11 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 1bx4 s ILE 90 Cb -0.11 -2.53 0.07 0.00 1.25 0.00 0.00 42.46 41.14 1bx4 s ILE 90 CO 0.01 0.00 0.83 -0.83 0.24 0.00 0.00 174.94 175.18 1bx4 s GLY 91 N -3.26 1.81 -1.06 6.27 0.00 -1.26 -2.32 107.32 107.49 1bx4 s GLY 91 Ca 0.38 -1.62 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 1bx4 s GLY 91 CO 0.15 -1.23 1.07 1.39 0.00 0.00 0.00 173.10 174.48 1bx4 n ILE 92 N -2.43 4.25 -3.73 0.90 5.41 -1.14 -4.57 119.36 118.05 1bx4 n ILE 92 Ca 0.11 -5.37 -0.07 0.00 1.00 0.00 0.00 62.75 58.42 1bx4 n ILE 92 Cb 0.60 -2.49 -0.01 0.00 -0.71 0.00 0.00 39.64 37.03 1bx4 n ILE 92 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1bx4 n ASP 93 N 2.45 -0.89 -0.22 4.38 3.85 -1.26 -5.03 116.55 119.83 1bx4 n ASP 93 Ca 0.24 -2.00 -0.07 0.00 -0.71 0.00 0.00 54.79 52.24 1bx4 n ASP 93 Cb 0.38 1.60 0.03 0.00 -1.35 0.00 0.00 41.12 41.78 1bx4 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1bx4 h LYS 94 N 0.00 0.92 -0.90 0.11 1.57 -2.00 -2.18 116.57 114.09 1bx4 h LYS 94 Ca -0.16 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1bx4 h LYS 94 Cb 0.67 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1bx4 h LYS 94 CO 0.21 0.79 0.59 0.74 -0.57 0.00 0.00 179.45 181.22 1bx4 h PHE 95 N 0.85 1.12 -0.41 -1.35 0.04 -1.97 -2.20 116.94 113.02 1bx4 h PHE 95 Ca 0.20 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 1bx4 h PHE 95 Cb 0.23 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1bx4 h PHE 95 CO 0.01 0.69 0.03 0.78 -0.60 0.00 0.00 178.31 179.23 1bx4 h GLY 96 N 1.20 0.69 1.59 -1.45 0.00 -1.73 -2.51 103.07 100.87 1bx4 h GLY 96 Ca 0.34 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1bx4 h GLY 96 CO -0.08 0.39 -0.32 0.83 0.00 0.00 0.00 176.54 177.36 1bx4 h GLU 97 N 0.62 0.46 -0.26 4.80 4.39 -0.82 -2.53 114.58 121.24 1bx4 h GLU 97 Ca 0.13 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1bx4 h GLU 97 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1bx4 h GLU 97 CO 0.01 0.73 0.15 0.82 -1.16 0.00 0.00 179.01 179.56 1bx4 h ILE 98 N 0.40 1.11 -0.77 3.13 2.04 -1.00 -1.05 117.51 121.36 1bx4 h ILE 98 Ca 0.05 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1bx4 h ILE 98 Cb 0.76 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1bx4 h ILE 98 CO 0.06 0.11 0.36 -0.07 0.00 0.00 0.00 178.15 178.61 1bx4 h LEU 99 N 0.31 1.02 -0.28 1.44 3.38 -1.32 -1.28 115.31 118.59 1bx4 h LEU 99 Ca 0.09 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1bx4 h LEU 99 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1bx4 h LEU 99 CO -0.02 0.88 -0.15 0.11 0.09 0.00 0.00 178.44 179.36 1bx4 h LYS 100 N 1.10 0.59 -0.42 1.13 1.57 -1.34 -1.85 116.57 117.34 1bx4 h LYS 100 Ca 0.26 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1bx4 h LYS 100 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1bx4 h LYS 100 CO -0.03 0.84 0.27 -0.09 -0.57 0.00 0.00 179.45 179.86 1bx4 h ARG 101 N 0.34 0.53 0.00 3.15 2.43 -1.03 -2.17 114.38 117.62 1bx4 h ARG 101 Ca 0.06 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1bx4 h ARG 101 Cb 0.67 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1bx4 h ARG 101 CO 0.04 0.35 -0.47 0.87 -1.51 0.00 0.00 179.97 179.26 1bx4 h LYS 102 N 0.55 0.00 -0.27 0.20 1.79 -1.18 -2.04 116.57 115.61 1bx4 h LYS 102 Ca 0.16 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 1bx4 h LYS 102 Cb -0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1bx4 h LYS 102 CO -0.05 0.47 -0.44 0.00 -1.08 0.00 0.00 179.45 178.35 1bx4 h ALA 103 N 1.53 0.72 -0.25 3.86 0.00 -1.12 -2.47 119.26 121.54 1bx4 h ALA 103 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1bx4 h ALA 103 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1bx4 h ALA 103 CO 0.06 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 1bx4 h ALA 104 N 0.96 0.35 0.00 0.00 0.00 -1.21 -2.58 119.26 116.77 1bx4 h ALA 104 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1bx4 h ALA 104 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bx4 h ALA 104 CO 0.09 0.18 -0.06 0.93 0.00 0.00 0.00 179.25 180.40 1bx4 h GLU 105 N 0.23 0.00 -0.01 0.00 5.08 -1.35 -0.56 114.58 117.98 1bx4 h GLU 105 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1bx4 h GLU 105 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1bx4 h GLU 105 CO 0.03 0.06 -0.05 0.00 -1.00 0.00 0.00 179.01 178.05 1bx4 n ALA 106 N -2.25 2.69 -2.02 3.43 0.00 -0.93 -4.92 120.51 116.49 1bx4 n ALA 106 Ca -0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1bx4 n ALA 106 Cb 0.17 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1bx4 n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bx4 n HIS 107 N -0.71 -0.48 -3.63 0.00 8.25 -0.22 -4.75 115.22 113.68 1bx4 n HIS 107 Ca 0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.28 1bx4 n HIS 107 Cb 0.24 -2.86 -0.06 0.00 1.12 0.00 0.00 29.99 28.44 1bx4 n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bx4 s VAL 108 N -2.65 5.17 -1.10 1.59 1.01 -1.00 -0.87 120.40 122.56 1bx4 s VAL 108 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 1bx4 s VAL 108 Cb 0.00 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1bx4 s VAL 108 CO 0.00 0.45 1.41 -0.62 0.00 0.00 0.00 175.10 176.34 1bx4 s ASP 109 N -1.41 6.76 -0.18 3.32 2.15 -0.26 -4.54 116.67 122.51 1bx4 s ASP 109 Ca 0.26 -2.25 -0.13 0.00 0.43 0.00 0.00 52.55 50.86 1bx4 s ASP 109 Cb -0.14 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 1bx4 s ASP 109 CO 0.14 -1.10 0.26 0.00 -0.17 0.00 0.00 175.17 174.30 1bx4 s ALA 110 N 3.21 3.61 -0.22 3.66 0.00 -1.26 -1.83 121.76 128.93 1bx4 s ALA 110 Ca 0.43 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1bx4 s ALA 110 Cb -0.01 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.80 1bx4 s ALA 110 CO -0.04 0.05 -0.05 -1.01 0.00 0.00 0.00 175.76 174.72 1bx4 s HIS 111 N 0.57 2.13 0.04 0.00 3.76 -0.43 -4.97 115.29 116.38 1bx4 s HIS 111 Ca 0.14 -1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 53.50 1bx4 s HIS 111 Cb -0.13 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1bx4 s HIS 111 CO 0.03 -0.73 0.20 0.71 -0.85 0.00 0.00 174.74 174.09 1bx4 s TYR 112 N 1.49 3.52 -0.43 1.40 1.51 -1.26 -3.64 117.35 119.93 1bx4 s TYR 112 Ca -0.04 0.28 -0.19 0.00 -1.01 0.00 0.00 57.07 56.11 1bx4 s TYR 112 Cb -0.18 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1bx4 s TYR 112 CO -0.07 0.61 0.54 -0.47 -1.11 0.00 0.00 175.55 175.05 1bx4 s TYR 113 N -1.44 3.12 -0.19 2.71 5.04 0.46 -4.97 117.35 122.07 1bx4 s TYR 113 Ca 0.32 -0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.66 1bx4 s TYR 113 Cb -0.13 -3.13 -0.05 0.00 0.35 0.00 0.00 41.96 39.01 1bx4 s TYR 113 CO 0.25 -0.79 0.13 -1.21 -1.34 0.00 0.00 175.55 172.59 1bx4 s GLU 114 N 2.49 4.08 0.19 4.97 2.02 -1.26 -1.07 118.70 130.12 1bx4 s GLU 114 Ca 0.18 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 1bx4 s GLU 114 Cb -0.15 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1bx4 s GLU 114 CO 0.16 0.36 0.17 1.14 0.02 0.00 0.00 175.26 177.11 1bx4 s GLN 115 N 0.19 1.18 -0.10 1.61 1.03 -0.98 -5.00 119.66 117.59 1bx4 s GLN 115 Ca 0.09 -1.49 0.14 0.00 0.04 0.00 0.00 55.36 54.13 1bx4 s GLN 115 Cb -0.11 0.30 0.21 0.00 0.03 0.00 0.00 33.01 33.44 1bx4 s GLN 115 CO -0.01 -0.40 1.11 0.27 -2.54 0.00 0.00 175.29 173.72 1bx4 n ASN 116 N -0.24 1.77 0.01 12.60 0.23 -1.26 -2.90 115.26 125.48 1bx4 n ASN 116 Ca -0.01 -2.79 -0.09 0.00 -0.53 0.00 0.00 54.58 51.16 1bx4 n ASN 116 Cb 0.65 -0.36 -0.13 0.00 -2.08 0.00 0.00 39.78 37.85 1bx4 n ASN 116 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bx4 h GLU 117 N 0.00 0.03 -5.72 -3.83 3.07 -1.99 -3.47 114.58 102.68 1bx4 h GLU 117 Ca 0.00 -0.06 -0.52 0.00 -0.50 0.00 0.00 59.36 58.28 1bx4 h GLU 117 Cb 1.08 0.02 -0.26 0.00 -0.84 0.00 0.00 28.75 28.75 1bx4 h GLU 117 CO 0.00 0.73 -0.82 -0.65 -1.40 0.00 0.00 179.01 176.87 1bx4 s GLN 118 N -2.63 1.20 0.71 2.33 -1.52 -1.26 -5.08 119.66 113.41 1bx4 s GLN 118 Ca -0.04 -0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 52.44 1bx4 s GLN 118 Cb 0.08 -1.25 0.02 0.00 -0.22 0.00 0.00 33.01 31.64 1bx4 s GLN 118 CO 0.82 0.32 1.07 -1.25 -0.25 0.00 0.00 175.29 176.00 1bx4 s PRO 119 N -1.07 2.77 0.28 2.91 0.04 -1.26 -4.30 135.00 134.37 1bx4 s PRO 119 Ca 0.05 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1bx4 s PRO 119 Cb -0.08 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 1bx4 s PRO 119 CO 0.01 -1.23 1.44 2.41 0.04 0.00 0.00 177.00 179.68 1bx4 n THR 120 N -3.22 1.22 -1.75 1.26 -1.04 -1.26 -0.66 114.28 108.82 1bx4 n THR 120 Ca 0.08 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.05 61.43 1bx4 n THR 120 Cb 0.53 -1.66 0.06 0.00 -1.82 0.00 0.00 70.33 67.45 1bx4 n THR 120 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1bx4 s GLY 121 N 0.21 2.52 0.16 3.41 0.00 -1.22 -4.70 107.32 107.70 1bx4 s GLY 121 Ca 0.64 0.90 0.02 0.00 0.00 0.00 0.00 44.72 46.28 1bx4 s GLY 121 CO 0.52 1.30 -0.02 -0.51 0.00 0.00 0.00 173.10 174.39 1bx4 s THR 122 N -1.84 0.73 -0.07 0.90 -4.23 -0.71 -1.96 115.64 108.46 1bx4 s THR 122 Ca 0.75 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.26 1bx4 s THR 122 Cb -0.29 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.58 1bx4 s THR 122 CO 0.39 -0.58 0.05 0.00 -0.54 0.00 0.00 174.62 173.95 1bx4 s ALA 124 N 2.12 3.28 -0.32 0.00 0.00 -0.19 -1.13 121.76 125.52 1bx4 s ALA 124 Ca 0.04 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1bx4 s ALA 124 Cb -0.13 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.93 1bx4 s ALA 124 CO -0.04 -0.08 0.03 0.00 0.00 0.00 0.00 175.76 175.67 1bx4 s ALA 125 N 0.49 2.86 -0.51 0.00 0.00 -0.23 -1.29 121.76 123.07 1bx4 s ALA 125 Ca 0.44 -2.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1bx4 s ALA 125 Cb -0.20 -1.99 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1bx4 s ALA 125 CO 0.24 -1.43 0.49 0.00 0.00 0.00 0.00 175.76 175.06 1bx4 s ILE 127 N 1.82 5.05 -0.26 0.00 1.01 -0.20 -1.46 121.20 127.16 1bx4 s ILE 127 Ca 0.05 0.94 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 1bx4 s ILE 127 Cb -0.26 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.52 1bx4 s ILE 127 CO 0.06 0.47 0.10 0.42 0.00 0.00 0.00 174.94 175.99 1bx4 s THR 128 N -0.38 0.27 0.00 2.92 -4.23 -0.66 -1.18 115.64 112.38 1bx4 s THR 128 Ca 0.25 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1bx4 s THR 128 Cb -0.16 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1bx4 s THR 128 CO 0.13 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1bx4 n GLY 129 N 5.12 3.84 0.66 3.99 0.00 -1.26 -0.95 105.19 116.58 1bx4 n GLY 129 Ca -0.06 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1bx4 n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bx4 n ASP 130 N 7.56 1.93 -4.92 1.61 5.68 -1.26 -4.92 116.55 122.24 1bx4 n ASP 130 Ca 0.00 -1.89 -0.30 0.00 -0.50 0.00 0.00 54.79 52.10 1bx4 n ASP 130 Cb 0.00 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 1bx4 n ASP 130 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1bx4 s ASN 131 N -1.23 6.32 -0.05 -1.12 0.01 -0.13 -4.99 114.94 113.75 1bx4 s ASN 131 Ca 0.28 0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 52.65 1bx4 s ASN 131 Cb 0.15 -1.93 0.03 0.00 0.41 0.00 0.00 41.25 39.92 1bx4 s ASN 131 CO 0.21 0.15 0.08 -0.13 -1.51 0.00 0.00 177.10 175.90 1bx4 s ARG 132 N -2.64 -0.05 -0.30 -0.60 0.52 -1.11 -1.66 118.95 113.12 1bx4 s ARG 132 Ca 0.35 0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 55.90 1bx4 s ARG 132 Cb -0.13 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.90 1bx4 s ARG 132 CO 0.28 -0.32 0.09 0.45 0.02 0.00 0.00 175.30 175.82 1bx4 s SER 133 N 2.16 5.21 -0.12 0.23 0.15 -0.54 -2.93 113.70 117.87 1bx4 s SER 133 Ca 0.04 -0.64 -0.05 0.00 0.70 0.00 0.00 55.95 56.00 1bx4 s SER 133 Cb -0.12 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1bx4 s SER 133 CO -0.04 -0.18 0.06 -0.76 1.20 0.00 0.00 173.24 173.52 1bx4 s LEU 134 N 1.53 3.88 -0.20 3.45 1.02 -0.21 -1.16 118.68 126.99 1bx4 s LEU 134 Ca 0.03 0.23 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 1bx4 s LEU 134 Cb -0.17 -1.93 0.06 0.00 0.02 0.00 0.00 46.19 44.17 1bx4 s LEU 134 CO 0.03 0.34 0.01 -0.63 0.02 0.00 0.00 176.35 176.12 1bx4 s ILE 135 N -0.60 0.79 -0.35 -0.59 1.09 -0.42 -1.88 121.20 119.24 1bx4 s ILE 135 Ca 0.11 -0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 58.78 1bx4 s ILE 135 Cb -0.12 -1.21 -0.00 0.00 -1.06 0.00 0.00 42.46 40.07 1bx4 s ILE 135 CO 0.02 -0.15 0.53 0.00 -0.10 0.00 0.00 174.94 175.24 1bx4 s ALA 136 N 1.74 3.48 -0.87 9.38 0.00 -0.25 -1.02 121.76 134.21 1bx4 s ALA 136 Ca -0.02 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1bx4 s ALA 136 Cb -0.17 -3.03 0.21 0.00 0.00 0.00 0.00 23.12 20.13 1bx4 s ALA 136 CO -0.07 -1.23 0.85 1.21 0.00 0.00 0.00 175.76 176.52 1bx4 s ASN 137 N 1.76 6.80 0.23 0.00 3.84 -0.03 -0.17 114.94 127.37 1bx4 s ASN 137 Ca 0.19 -2.70 -0.07 0.00 0.21 0.00 0.00 52.86 50.50 1bx4 s ASN 137 Cb -0.15 -2.24 0.31 0.00 -0.55 0.00 0.00 41.25 38.62 1bx4 s ASN 137 CO 0.13 -0.61 1.81 -0.07 -2.79 0.00 0.00 177.10 175.58 1bx4 h LEU 138 N 8.02 0.64 0.00 3.21 3.38 -1.90 -1.90 115.31 126.76 1bx4 h LEU 138 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bx4 h LEU 138 Cb 1.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1bx4 h LEU 138 CO 0.82 0.39 0.00 0.00 0.09 0.00 0.00 178.44 179.74 1bx4 n ALA 139 N -2.36 0.00 -0.22 1.53 0.00 -1.26 -1.06 120.51 117.13 1bx4 n ALA 139 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1bx4 n ALA 139 Cb 0.21 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.11 1bx4 n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bx4 h ALA 140 N -0.28 1.99 -0.59 0.00 0.00 -1.11 -1.38 119.26 117.89 1bx4 h ALA 140 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1bx4 h ALA 140 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bx4 h ALA 140 CO 0.00 -0.21 0.39 0.00 0.00 0.00 0.00 179.25 179.43 1bx4 h ALA 141 N 1.62 2.03 -0.01 0.00 0.00 -1.15 0.16 119.26 121.92 1bx4 h ALA 141 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1bx4 h ALA 141 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1bx4 h ALA 141 CO -0.16 -0.16 0.00 -1.71 0.00 0.00 0.00 179.25 177.22 1bx4 n ASN 142 N -4.47 0.07 -1.22 0.00 5.15 -0.52 -3.47 115.26 110.81 1bx4 n ASN 142 Ca 0.09 -1.35 0.12 0.00 -0.60 0.00 0.00 54.58 52.84 1bx4 n ASN 142 Cb 0.37 -0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.86 1bx4 n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bx4 s TYR 144 N -1.38 2.70 -0.12 0.00 5.04 -1.23 -4.99 117.35 117.37 1bx4 s TYR 144 Ca 0.42 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.44 1bx4 s TYR 144 Cb 0.24 -4.01 0.02 0.00 0.35 0.00 0.00 41.96 38.55 1bx4 s TYR 144 CO 0.32 -3.93 -0.14 0.15 -1.34 0.00 0.00 175.55 170.61 1bx4 s LYS 145 N 1.86 2.17 0.31 4.97 1.02 -1.26 -4.77 119.74 124.03 1bx4 s LYS 145 Ca 0.74 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 1bx4 s LYS 145 Cb -0.44 -1.93 0.49 0.00 -0.52 0.00 0.00 37.83 35.43 1bx4 s LYS 145 CO 0.32 -0.15 1.97 1.57 -0.92 0.00 0.00 175.35 178.14 1bx4 h LYS 146 N 7.74 1.03 0.00 1.68 2.10 -1.96 -1.78 116.57 125.37 1bx4 h LYS 146 Ca -0.34 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.22 1bx4 h LYS 146 Cb 1.16 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1bx4 h LYS 146 CO 0.50 0.68 -0.16 0.93 -2.00 0.00 0.00 179.45 179.39 1bx4 h GLU 147 N 1.06 0.00 0.00 0.07 3.07 -1.96 0.07 114.58 116.88 1bx4 h GLU 147 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1bx4 h GLU 147 Cb -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1bx4 h GLU 147 CO -0.08 0.16 -0.74 1.63 -1.40 0.00 0.00 179.01 178.59 1bx4 n LYS 148 N -4.11 0.27 0.00 2.33 4.76 -0.72 -4.68 118.16 116.01 1bx4 n LYS 148 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1bx4 n LYS 148 Cb 0.24 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1bx4 n LYS 148 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1bx4 n HIS 149 N -2.01 -0.15 -0.34 2.13 -0.00 -0.92 -4.84 115.22 109.09 1bx4 n HIS 149 Ca 0.03 0.00 0.21 0.00 0.46 0.00 0.00 57.72 58.42 1bx4 n HIS 149 Cb 0.43 0.49 0.46 0.00 -0.12 0.00 0.00 29.99 31.24 1bx4 n HIS 149 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1bx4 h LEU 150 N 0.00 0.55 0.00 0.27 5.85 -1.68 -1.43 115.31 118.87 1bx4 h LEU 150 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1bx4 h LEU 150 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1bx4 h LEU 150 CO 0.00 0.08 -0.09 0.47 -0.34 0.00 0.00 178.44 178.55 1bx4 n ASP 151 N -4.76 0.29 -4.77 1.25 8.00 -0.02 -3.57 116.55 112.97 1bx4 n ASP 151 Ca 0.27 0.41 -0.40 0.00 0.71 0.00 0.00 54.79 55.77 1bx4 n ASP 151 Cb 0.84 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1bx4 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bx4 s LEU 152 N -3.43 4.29 0.18 0.64 1.43 -0.54 -4.82 118.68 116.43 1bx4 s LEU 152 Ca 0.12 2.74 -0.21 0.00 -1.03 0.00 0.00 54.13 55.75 1bx4 s LEU 152 Cb 0.17 -3.79 0.10 0.00 0.03 0.00 0.00 46.19 42.69 1bx4 s LEU 152 CO 0.58 -0.78 1.60 -0.08 0.23 0.00 0.00 176.35 177.90 1bx4 h GLU 153 N 2.92 -0.18 -0.81 1.70 4.57 -1.89 -1.28 114.58 119.60 1bx4 h GLU 153 Ca -0.50 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 57.76 1bx4 h GLU 153 Cb 1.24 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.82 1bx4 h GLU 153 CO 0.64 -0.12 0.53 -0.22 -1.18 0.00 0.00 179.01 178.65 1bx4 h LYS 154 N -0.19 0.86 0.09 1.92 3.64 -1.95 -1.89 116.57 119.05 1bx4 h LYS 154 Ca 0.20 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.32 1bx4 h LYS 154 Cb 0.52 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1bx4 h LYS 154 CO -0.57 0.57 -0.88 -0.91 -2.27 0.00 0.00 179.45 175.39 1bx4 h ASN 155 N 0.89 0.62 -0.43 4.20 -0.26 -1.73 -3.32 115.58 115.54 1bx4 h ASN 155 Ca 0.34 -0.85 -0.02 0.00 -0.56 0.00 0.00 56.30 55.22 1bx4 h ASN 155 Cb 0.21 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1bx4 h ASN 155 CO -0.12 1.41 0.21 -0.25 -1.06 0.00 0.00 177.43 177.61 1bx4 h TRP 156 N -0.08 0.66 -0.77 1.19 2.91 -1.08 -2.10 115.95 116.68 1bx4 h TRP 156 Ca -0.14 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 59.95 1bx4 h TRP 156 Cb 1.62 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 30.01 1bx4 h TRP 156 CO 0.15 0.51 0.51 0.52 -1.03 0.00 0.00 178.44 179.10 1bx4 h MET 157 N 0.67 0.73 -0.61 2.65 2.86 -1.45 -1.00 114.93 118.78 1bx4 h MET 157 Ca 0.17 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1bx4 h MET 157 Cb 0.11 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1bx4 h MET 157 CO -0.02 0.48 0.09 -0.07 1.06 0.00 0.00 176.91 178.45 1bx4 h LEU 158 N 0.75 0.95 -0.94 1.22 3.38 -1.48 -2.42 115.31 116.76 1bx4 h LEU 158 Ca 0.35 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1bx4 h LEU 158 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1bx4 h LEU 158 CO -0.13 0.95 -0.13 0.58 0.09 0.00 0.00 178.44 179.81 1bx4 h VAL 159 N 0.93 1.25 0.00 1.22 2.07 -1.15 -2.84 116.25 117.73 1bx4 h VAL 159 Ca 0.19 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1bx4 h VAL 159 Cb 0.42 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1bx4 h VAL 159 CO 0.01 0.37 -0.00 -0.33 0.02 0.00 0.00 177.57 177.64 1bx4 h GLU 160 N 0.57 0.00 0.00 1.57 5.08 -0.89 -2.41 114.58 118.50 1bx4 h GLU 160 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1bx4 h GLU 160 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1bx4 h GLU 160 CO 0.03 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 1bx4 h LYS 161 N 0.00 0.00 -7.02 2.33 1.57 -1.23 -3.46 116.57 108.76 1bx4 h LYS 161 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1bx4 h LYS 161 Cb 0.38 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.72 1bx4 h LYS 161 CO 0.00 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.29 1bx4 s ALA 162 N -3.32 2.96 -0.03 3.86 0.00 -0.91 -4.47 121.76 119.85 1bx4 s ALA 162 Ca 0.06 0.71 0.11 0.00 0.00 0.00 0.00 51.96 52.84 1bx4 s ALA 162 Cb 0.07 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 1bx4 s ALA 162 CO 0.61 -0.35 0.21 0.54 0.00 0.00 0.00 175.76 176.76 1bx4 n ARG 163 N -0.56 0.71 -4.27 0.00 3.00 -0.22 -4.96 116.66 110.36 1bx4 n ARG 163 Ca 0.07 -0.09 -0.20 0.00 -0.01 0.00 0.00 57.85 57.63 1bx4 n ARG 163 Cb 0.51 -1.27 -0.16 0.00 0.00 0.00 0.00 32.46 31.54 1bx4 n ARG 163 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1bx4 s VAL 164 N -2.69 0.64 0.03 1.55 1.01 -1.11 -2.49 120.40 117.34 1bx4 s VAL 164 Ca -0.04 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1bx4 s VAL 164 Cb 0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1bx4 s VAL 164 CO 0.47 0.23 -0.26 0.00 0.00 0.00 0.00 175.10 175.54 1bx4 s TYR 166 N -0.75 0.00 -0.03 0.00 5.04 -0.07 -0.99 117.35 120.56 1bx4 s TYR 166 Ca 0.11 0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1bx4 s TYR 166 Cb -0.10 -0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.00 1bx4 s TYR 166 CO 0.01 -0.11 0.02 0.42 -1.34 0.00 0.00 175.55 174.55 1bx4 s ILE 167 N 1.21 0.08 0.37 3.14 1.01 -0.97 -3.43 121.20 122.60 1bx4 s ILE 167 Ca -0.08 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 1bx4 s ILE 167 Cb -0.13 -0.21 -0.09 0.00 0.01 0.00 0.00 42.46 42.05 1bx4 s ILE 167 CO -0.03 0.14 1.16 0.00 0.00 0.00 0.00 174.94 176.21 1bx4 s ALA 168 N 1.20 3.25 0.59 9.38 0.00 -1.26 -2.90 121.76 132.02 1bx4 s ALA 168 Ca -0.07 0.97 0.29 0.00 0.00 0.00 0.00 51.96 53.15 1bx4 s ALA 168 Cb -0.13 -3.37 1.51 0.00 0.00 0.00 0.00 23.12 21.12 1bx4 s ALA 168 CO -0.02 -0.45 1.92 0.78 0.00 0.00 0.00 175.76 177.99 1bx4 h GLY 169 N 2.97 0.00 0.18 0.00 0.00 -1.01 -1.55 103.07 103.65 1bx4 h GLY 169 Ca -0.48 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.05 1bx4 h GLY 169 CO 0.64 0.00 0.62 0.74 0.00 0.00 0.00 176.54 178.53 1bx4 h PHE 170 N 0.00 0.82 0.00 5.60 0.05 -1.86 -1.34 116.94 120.21 1bx4 h PHE 170 Ca 0.18 0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.00 1bx4 h PHE 170 Cb 1.06 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.76 1bx4 h PHE 170 CO 0.00 0.19 0.00 0.35 -0.18 0.00 0.00 178.31 178.67 1bx4 h PHE 171 N 0.59 0.00 0.00 -0.55 3.57 -1.65 -2.90 116.94 116.01 1bx4 h PHE 171 Ca 0.54 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.03 1bx4 h PHE 171 Cb 1.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1bx4 h PHE 171 CO -0.00 0.00 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.00 1bx4 h LEU 172 N 0.00 0.00 0.00 0.59 3.38 -1.44 -1.41 115.31 116.43 1bx4 h LEU 172 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bx4 h LEU 172 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1bx4 h LEU 172 CO 0.00 0.01 -0.14 0.35 0.09 0.00 0.00 178.44 178.75 1bx4 n THR 173 N -3.15 0.02 -0.04 0.22 -2.24 -1.09 -4.13 114.28 103.86 1bx4 n THR 173 Ca -0.02 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1bx4 n THR 173 Cb 0.16 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 1bx4 n THR 173 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bx4 n VAL 174 N -1.53 1.14 -3.23 2.28 0.31 -0.62 -4.96 118.33 111.72 1bx4 n VAL 174 Ca 0.07 0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 64.25 1bx4 n VAL 174 Cb 0.34 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.33 1bx4 n VAL 174 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bx4 n SER 175 N -3.85 -0.14 0.21 4.52 2.88 -0.69 -4.91 113.62 111.64 1bx4 n SER 175 Ca -0.15 -2.62 0.14 0.00 -1.33 0.00 0.00 58.87 54.91 1bx4 n SER 175 Cb 0.43 -0.52 0.75 0.00 -0.75 0.00 0.00 64.21 64.11 1bx4 n SER 175 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bx4 h PRO 176 N 4.47 0.00 -0.50 -1.46 0.13 -1.75 -0.78 132.00 132.12 1bx4 h PRO 176 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1bx4 h PRO 176 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1bx4 h PRO 176 CO 0.43 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.11 1bx4 h GLU 177 N 0.00 0.84 -0.21 0.86 3.07 -1.95 -0.83 114.58 116.36 1bx4 h GLU 177 Ca 0.06 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.63 1bx4 h GLU 177 Cb 0.29 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1bx4 h GLU 177 CO -0.00 0.86 -0.06 0.77 -1.40 0.00 0.00 179.01 179.18 1bx4 h SER 178 N 0.78 0.41 -0.67 1.42 0.02 -1.57 -1.66 113.55 112.29 1bx4 h SER 178 Ca 0.15 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1bx4 h SER 178 Cb 0.50 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1bx4 h SER 178 CO 0.02 0.69 0.39 0.58 -1.14 0.00 0.00 176.83 177.37 1bx4 h VAL 179 N 0.13 1.01 -0.43 2.27 2.07 -1.23 -2.18 116.25 117.90 1bx4 h VAL 179 Ca 0.05 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1bx4 h VAL 179 Cb 0.51 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1bx4 h VAL 179 CO 0.02 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.56 1bx4 h LEU 180 N 0.73 0.76 -0.40 2.57 3.38 -1.07 -0.96 115.31 120.32 1bx4 h LEU 180 Ca 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1bx4 h LEU 180 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1bx4 h LEU 180 CO -0.16 0.90 0.15 0.50 0.09 0.00 0.00 178.44 179.92 1bx4 h LYS 181 N 0.69 0.60 -0.35 1.13 3.64 -0.83 -0.84 116.57 120.61 1bx4 h LYS 181 Ca 0.12 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1bx4 h LYS 181 Cb 0.59 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1bx4 h LYS 181 CO 0.04 0.57 0.01 0.28 -2.27 0.00 0.00 179.45 178.09 1bx4 h VAL 182 N 0.50 1.25 -0.70 2.00 2.07 -1.32 -2.45 116.25 117.60 1bx4 h VAL 182 Ca 0.13 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1bx4 h VAL 182 Cb 0.20 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1bx4 h VAL 182 CO -0.01 0.31 0.19 0.00 0.02 0.00 0.00 177.57 178.08 1bx4 h ALA 183 N 0.87 1.01 -0.49 1.67 0.00 -1.05 -2.61 119.26 118.67 1bx4 h ALA 183 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1bx4 h ALA 183 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1bx4 h ALA 183 CO 0.02 0.65 -0.06 1.25 0.00 0.00 0.00 179.25 181.11 1bx4 h HIS 184 N 1.05 1.00 -0.99 0.00 6.17 -1.11 -2.30 115.15 118.96 1bx4 h HIS 184 Ca 0.22 -0.19 0.03 0.00 0.71 0.00 0.00 60.37 61.14 1bx4 h HIS 184 Cb 0.34 -0.25 -0.05 0.00 2.52 0.00 0.00 27.41 29.96 1bx4 h HIS 184 CO 0.03 0.95 0.65 1.25 0.71 0.00 0.00 177.93 181.52 1bx4 h HIS 185 N 0.75 1.22 -0.35 5.26 6.17 -1.29 0.37 115.15 127.29 1bx4 h HIS 185 Ca 0.13 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.17 1bx4 h HIS 185 Cb 0.59 -0.41 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1bx4 h HIS 185 CO 0.04 0.73 -0.04 0.00 0.71 0.00 0.00 177.93 179.37 1bx4 h ALA 186 N 1.41 0.47 -0.68 5.26 0.00 -1.37 -2.17 119.26 122.18 1bx4 h ALA 186 Ca 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1bx4 h ALA 186 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1bx4 h ALA 186 CO -0.11 0.28 0.23 1.03 0.00 0.00 0.00 179.25 180.68 1bx4 h SER 187 N 0.44 0.98 0.04 0.00 0.87 -0.81 0.11 113.55 115.18 1bx4 h SER 187 Ca 0.09 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.34 1bx4 h SER 187 Cb 0.53 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1bx4 h SER 187 CO 0.03 0.92 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.54 1bx4 h GLU 188 N 0.99 0.45 -0.57 2.24 4.39 -0.92 -3.17 114.58 117.99 1bx4 h GLU 188 Ca 0.22 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1bx4 h GLU 188 Cb 0.28 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1bx4 h GLU 188 CO -0.01 0.76 0.11 0.09 -1.16 0.00 0.00 179.01 178.80 1bx4 n ASN 189 N -4.05 4.84 -4.30 1.42 3.02 -0.82 -4.96 115.26 110.42 1bx4 n ASN 189 Ca -0.01 -3.12 -0.35 0.00 -0.03 0.00 0.00 54.58 51.07 1bx4 n ASN 189 Cb 0.48 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 1bx4 n ASN 189 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bx4 n ASN 190 N -0.02 -1.28 -4.90 6.41 5.15 -0.59 -4.98 115.26 115.05 1bx4 n ASN 190 Ca 0.32 -1.15 -0.20 0.00 -0.60 0.00 0.00 54.58 52.95 1bx4 n ASN 190 Cb 1.21 -2.17 -0.02 0.00 -0.53 0.00 0.00 39.78 38.27 1bx4 n ASN 190 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bx4 s ARG 191 N -7.08 2.74 -0.15 1.20 0.52 0.29 -5.04 118.95 111.43 1bx4 s ARG 191 Ca 0.46 -1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 1bx4 s ARG 191 Cb -0.26 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 1bx4 s ARG 191 CO 0.97 -0.06 0.68 0.42 0.02 0.00 0.00 175.30 177.34 1bx4 s ILE 192 N -2.34 5.01 -0.14 1.52 1.01 -1.04 -4.52 121.20 120.70 1bx4 s ILE 192 Ca 0.46 1.34 0.01 0.00 0.00 0.00 0.00 60.65 62.46 1bx4 s ILE 192 Cb -0.06 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 1bx4 s ILE 192 CO 0.29 0.14 -0.17 0.12 0.00 0.00 0.00 174.94 175.33 1bx4 s PHE 193 N 1.58 2.74 0.09 3.97 5.36 -1.26 -1.04 117.98 129.42 1bx4 s PHE 193 Ca 0.33 -0.94 0.07 0.00 -0.96 0.00 0.00 56.93 55.44 1bx4 s PHE 193 Cb -0.16 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 1bx4 s PHE 193 CO 0.13 -0.39 -0.19 0.95 -1.46 0.00 0.00 175.22 174.26 1bx4 s THR 194 N 0.59 1.56 0.03 0.12 -4.23 -0.16 -0.67 115.64 112.89 1bx4 s THR 194 Ca -0.10 -1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1bx4 s THR 194 Cb -0.16 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1bx4 s THR 194 CO 0.03 -0.10 0.18 -0.22 -0.54 0.00 0.00 174.62 173.97 1bx4 s LEU 195 N -1.87 1.41 -0.07 4.79 2.96 -0.80 -2.29 118.68 122.82 1bx4 s LEU 195 Ca 0.04 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1bx4 s LEU 195 Cb -0.10 0.90 -0.03 0.00 0.50 0.00 0.00 46.19 47.46 1bx4 s LEU 195 CO 0.04 -0.53 -0.07 0.21 -1.32 0.00 0.00 176.35 174.68 1bx4 s ASN 196 N -1.99 4.61 0.45 3.68 3.84 -1.14 -1.00 114.94 123.40 1bx4 s ASN 196 Ca -0.06 -0.03 0.20 0.00 0.21 0.00 0.00 52.86 53.17 1bx4 s ASN 196 Cb -0.02 -1.15 1.09 0.00 -0.55 0.00 0.00 41.25 40.62 1bx4 s ASN 196 CO -0.03 0.36 1.96 -0.07 -2.79 0.00 0.00 177.10 176.53 1bx4 h LEU 197 N 5.24 0.00 0.00 3.21 3.38 -1.36 0.14 115.31 125.91 1bx4 h LEU 197 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1bx4 h LEU 197 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1bx4 h LEU 197 CO 0.52 0.22 0.00 -1.20 0.09 0.00 0.00 178.44 178.07 1bx4 n SER 198 N -3.90 0.00 -3.54 -0.43 7.64 -1.26 -4.66 113.62 107.46 1bx4 n SER 198 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 1bx4 n SER 198 Cb 0.31 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 1bx4 n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bx4 s ALA 199 N 0.00 -1.88 0.43 -0.43 0.00 -1.26 -5.00 121.76 113.61 1bx4 s ALA 199 Ca 0.00 1.34 0.18 0.00 0.00 0.00 0.00 51.96 53.48 1bx4 s ALA 199 Cb 0.00 -0.19 1.10 0.00 0.00 0.00 0.00 23.12 24.03 1bx4 s ALA 199 CO 0.00 -0.47 1.87 -1.35 0.00 0.00 0.00 175.76 175.81 1bx4 h PRO 200 N 2.35 0.38 0.00 0.00 0.11 -1.89 -2.01 132.00 130.93 1bx4 h PRO 200 Ca -0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1bx4 h PRO 200 Cb 1.19 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1bx4 h PRO 200 CO 0.31 0.25 -0.04 0.27 -0.21 0.00 0.00 178.00 178.58 1bx4 h PHE 201 N 0.39 0.00 -0.27 0.65 -5.15 -1.93 -2.14 116.94 108.49 1bx4 h PHE 201 Ca 0.44 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 58.05 1bx4 h PHE 201 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.29 1bx4 h PHE 201 CO -0.00 0.04 -0.46 0.82 -2.00 0.00 0.00 178.31 176.71 1bx4 h ILE 202 N 0.00 1.29 0.00 0.88 1.08 -1.63 -1.02 117.51 118.11 1bx4 h ILE 202 Ca -0.00 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1bx4 h ILE 202 Cb 0.18 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1bx4 h ILE 202 CO 0.01 0.53 0.00 0.28 -0.69 0.00 0.00 178.15 178.28 1bx4 h SER 203 N 0.54 0.00 0.00 1.72 0.02 -1.52 -2.79 113.55 111.52 1bx4 h SER 203 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1bx4 h SER 203 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1bx4 h SER 203 CO 0.10 0.00 -0.13 0.00 -1.14 0.00 0.00 176.83 175.66 1bx4 n GLN 204 N -2.34 0.09 0.16 3.45 6.02 -0.95 -4.47 117.38 119.34 1bx4 n GLN 204 Ca 0.04 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1bx4 n GLN 204 Cb 0.38 -0.80 0.08 0.00 1.02 0.00 0.00 30.24 30.92 1bx4 n GLN 204 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1bx4 h PHE 205 N -0.18 0.00 -0.10 1.08 0.04 -1.37 -3.33 116.94 113.07 1bx4 h PHE 205 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1bx4 h PHE 205 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1bx4 h PHE 205 CO -0.06 0.01 -0.17 0.66 -0.60 0.00 0.00 178.31 178.15 1bx4 n TYR 206 N -2.87 0.34 0.30 -0.55 4.02 -1.08 -4.75 117.16 112.57 1bx4 n TYR 206 Ca 0.02 -1.25 0.18 0.00 -0.01 0.00 0.00 57.90 56.83 1bx4 n TYR 206 Cb 0.55 -0.27 0.95 0.00 -0.02 0.00 0.00 39.34 40.54 1bx4 n TYR 206 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1bx4 h LYS 207 N 0.76 0.00 -0.29 -0.72 2.10 -1.62 -2.11 116.57 114.69 1bx4 h LYS 207 Ca 0.04 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.55 1bx4 h LYS 207 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1bx4 h LYS 207 CO 0.11 0.03 -0.37 1.49 -2.00 0.00 0.00 179.45 178.71 1bx4 h GLU 208 N 0.00 0.75 -0.37 0.07 4.81 -1.89 -0.31 114.58 117.65 1bx4 h GLU 208 Ca -0.00 -0.43 -0.15 0.00 -0.13 0.00 0.00 59.36 58.65 1bx4 h GLU 208 Cb 0.16 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1bx4 h GLU 208 CO 0.00 1.05 -0.36 0.77 -0.73 0.00 0.00 179.01 179.75 1bx4 h SER 209 N 0.50 0.90 -0.30 1.04 0.02 -1.79 -2.30 113.55 111.63 1bx4 h SER 209 Ca 0.04 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1bx4 h SER 209 Cb 0.95 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1bx4 h SER 209 CO 0.09 1.16 0.18 0.25 -1.14 0.00 0.00 176.83 177.37 1bx4 h LEU 210 N 0.71 0.29 -0.61 5.07 5.85 -1.33 -2.25 115.31 123.04 1bx4 h LEU 210 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1bx4 h LEU 210 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1bx4 h LEU 210 CO 0.09 0.21 0.00 0.24 -0.34 0.00 0.00 178.44 178.64 1bx4 h MET 211 N 0.36 0.00 -0.15 1.25 2.86 -1.02 -1.64 114.93 116.59 1bx4 h MET 211 Ca 0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 1bx4 h MET 211 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1bx4 h MET 211 CO -0.05 0.00 -0.69 -0.22 1.06 0.00 0.00 176.91 177.01 1bx4 h LYS 212 N 0.00 0.63 0.00 1.72 3.64 -0.84 -3.26 116.57 118.47 1bx4 h LYS 212 Ca 0.00 -0.48 -0.21 0.00 -1.27 0.00 0.00 60.65 58.70 1bx4 h LYS 212 Cb 0.67 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1bx4 h LYS 212 CO 0.00 1.10 -1.06 0.28 -2.27 0.00 0.00 179.45 177.50 1bx4 h VAL 213 N 0.45 1.43 -0.99 2.00 2.07 -1.22 -3.39 116.25 116.61 1bx4 h VAL 213 Ca -0.03 -3.11 0.30 0.00 0.82 0.00 0.00 66.70 64.68 1bx4 h VAL 213 Cb 1.28 2.70 -0.14 0.00 -1.52 0.00 0.00 31.29 33.61 1bx4 h VAL 213 CO 0.13 0.82 0.54 -0.03 0.02 0.00 0.00 177.57 179.05 1bx4 h MET 214 N 0.00 0.36 0.00 1.57 -1.53 -1.34 -0.21 114.93 113.77 1bx4 h MET 214 Ca -0.06 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1bx4 h MET 214 Cb 1.75 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 32.72 1bx4 h MET 214 CO 0.11 0.24 -0.00 -1.35 0.14 0.00 0.00 176.91 176.05 1bx4 h PRO 215 N 0.37 0.00 -0.01 0.39 0.11 -1.76 -1.69 132.00 129.41 1bx4 h PRO 215 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1bx4 h PRO 215 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1bx4 h PRO 215 CO -0.58 0.00 -0.43 0.66 -0.21 0.00 0.00 178.00 177.44 1bx4 n TYR 216 N -3.15 0.00 -2.66 0.65 0.53 -0.09 -1.37 117.16 111.07 1bx4 n TYR 216 Ca -0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.42 1bx4 n TYR 216 Cb 0.08 -0.07 -0.02 0.00 -1.03 0.00 0.00 39.34 38.30 1bx4 n TYR 216 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1bx4 s VAL 217 N -2.57 4.39 0.05 -0.72 1.01 -0.64 -4.65 120.40 117.27 1bx4 s VAL 217 Ca 0.20 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 1bx4 s VAL 217 Cb 0.18 -4.49 -0.32 0.00 0.00 0.00 0.00 36.38 31.76 1bx4 s VAL 217 CO 0.58 -0.75 1.07 0.44 0.00 0.00 0.00 175.10 176.44 1bx4 h ASP 218 N 8.72 0.77 -3.36 3.32 3.32 -1.22 -3.45 116.42 124.51 1bx4 h ASP 218 Ca -0.22 -0.78 -0.39 0.00 0.02 0.00 0.00 57.03 55.66 1bx4 h ASP 218 Cb 1.06 -0.25 -0.37 0.00 0.22 0.00 0.00 39.33 40.00 1bx4 h ASP 218 CO 1.07 1.60 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.80 1bx4 s ILE 219 N -2.73 0.21 -0.14 0.35 1.01 -1.12 -1.32 121.20 117.45 1bx4 s ILE 219 Ca -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 1bx4 s ILE 219 Cb 0.05 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1bx4 s ILE 219 CO 0.93 0.20 -0.04 -0.22 0.00 0.00 0.00 174.94 175.81 1bx4 s LEU 220 N 1.62 3.24 0.11 2.97 2.96 -0.60 -1.90 118.68 127.08 1bx4 s LEU 220 Ca -0.01 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1bx4 s LEU 220 Cb -0.13 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1bx4 s LEU 220 CO -0.03 0.20 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.73 1bx4 s PHE 221 N 0.15 2.70 -0.20 5.38 0.40 -0.17 -1.01 117.98 125.23 1bx4 s PHE 221 Ca -0.02 -0.18 -0.36 0.00 -0.60 0.00 0.00 56.93 55.78 1bx4 s PHE 221 Cb -0.14 -1.41 0.15 0.00 0.51 0.00 0.00 43.02 42.14 1bx4 s PHE 221 CO 0.03 0.42 1.41 0.20 0.70 0.00 0.00 175.22 177.99 1bx4 s GLY 222 N -2.23 -0.35 0.36 4.36 0.00 -1.00 -0.82 107.32 107.65 1bx4 s GLY 222 Ca 0.21 1.45 0.04 0.00 0.00 0.00 0.00 44.72 46.42 1bx4 s GLY 222 CO 0.13 0.41 0.50 1.16 0.00 0.00 0.00 173.10 175.31 1bx4 n ASN 223 N -0.25 1.12 0.18 1.64 0.23 -1.26 -1.78 115.26 115.14 1bx4 n ASN 223 Ca -0.02 -1.84 0.04 0.00 -0.53 0.00 0.00 54.58 52.23 1bx4 n ASN 223 Cb 0.60 -0.28 0.34 0.00 -2.08 0.00 0.00 39.78 38.36 1bx4 n ASN 223 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1bx4 h GLU 224 N 0.00 0.00 0.06 -3.83 9.09 -1.61 -1.99 114.58 116.30 1bx4 h GLU 224 Ca -0.17 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.00 1bx4 h GLU 224 Cb 0.73 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.83 1bx4 h GLU 224 CO 0.22 0.40 -1.08 1.79 0.05 0.00 0.00 179.01 180.39 1bx4 h THR 225 N 0.00 1.48 -0.49 -1.06 1.35 -1.96 -2.61 112.91 109.62 1bx4 h THR 225 Ca -0.00 -2.83 -0.12 0.00 -0.55 0.00 0.00 66.41 62.90 1bx4 h THR 225 Cb 0.85 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.97 1bx4 h THR 225 CO 0.05 0.83 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.64 1bx4 h GLU 226 N 0.12 0.97 -0.67 4.72 5.08 -1.91 -2.12 114.58 120.78 1bx4 h GLU 226 Ca -0.10 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1bx4 h GLU 226 Cb 1.77 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 1bx4 h GLU 226 CO 0.18 1.06 0.34 0.00 -1.00 0.00 0.00 179.01 179.59 1bx4 h ALA 227 N 0.94 0.86 -0.64 3.43 0.00 -1.38 -0.99 119.26 121.48 1bx4 h ALA 227 Ca 0.12 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bx4 h ALA 227 Cb 0.74 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1bx4 h ALA 227 CO 0.06 0.40 0.12 0.00 0.00 0.00 0.00 179.25 179.83 1bx4 h ALA 228 N 1.16 0.85 -0.13 0.00 0.00 -1.30 -1.41 119.26 118.45 1bx4 h ALA 228 Ca 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1bx4 h ALA 228 Cb 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bx4 h ALA 228 CO -0.03 0.60 -0.01 1.15 0.00 0.00 0.00 179.25 180.96 1bx4 h THR 229 N 0.97 1.26 -0.66 0.00 2.02 -1.25 -1.92 112.91 113.34 1bx4 h THR 229 Ca 0.20 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.60 1bx4 h THR 229 Cb 0.41 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1bx4 h THR 229 CO 0.01 0.25 0.35 0.15 0.37 0.00 0.00 175.52 176.64 1bx4 h PHE 230 N -0.05 0.64 -0.40 3.16 3.57 -1.09 -1.14 116.94 121.64 1bx4 h PHE 230 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1bx4 h PHE 230 Cb 0.38 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1bx4 h PHE 230 CO 0.04 0.28 0.18 0.00 -2.23 0.00 0.00 178.31 176.58 1bx4 h ALA 231 N 1.36 0.51 0.32 2.41 0.00 -1.14 -1.48 119.26 121.25 1bx4 h ALA 231 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1bx4 h ALA 231 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bx4 h ALA 231 CO -0.20 0.09 -0.20 -0.09 0.00 0.00 0.00 179.25 178.85 1bx4 h ARG 232 N 0.50 -0.48 0.00 0.00 2.43 -0.97 -1.19 114.38 114.67 1bx4 h ARG 232 Ca 0.13 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1bx4 h ARG 232 Cb 0.15 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1bx4 h ARG 232 CO -0.01 -0.32 -0.14 0.93 -1.51 0.00 0.00 179.97 178.92 1bx4 h GLU 233 N -0.50 0.00 -0.10 0.20 4.39 -1.15 -1.54 114.58 115.87 1bx4 h GLU 233 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1bx4 h GLU 233 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1bx4 h GLU 233 CO 0.03 0.14 0.00 1.04 -1.16 0.00 0.00 179.01 179.06 1bx4 n GLN 234 N -4.02 1.91 -1.89 2.33 1.13 -0.56 -4.96 117.38 111.32 1bx4 n GLN 234 Ca -0.02 -1.34 -0.10 0.00 -1.94 0.00 0.00 57.00 53.59 1bx4 n GLN 234 Cb 0.22 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 1bx4 n GLN 234 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bx4 n GLY 235 N 1.24 0.36 0.28 1.08 0.00 -0.58 -4.93 105.19 102.64 1bx4 n GLY 235 Ca 0.17 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1bx4 n GLY 235 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bx4 h PHE 236 N 0.00 0.00 -2.56 1.61 0.05 -1.46 -3.47 116.94 111.11 1bx4 h PHE 236 Ca -0.23 0.00 -0.37 0.00 3.82 0.00 0.00 57.97 61.20 1bx4 h PHE 236 Cb 1.00 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.93 1bx4 h PHE 236 CO 0.27 0.03 -0.47 0.39 -0.18 0.00 0.00 178.31 178.35 1bx4 n GLU 237 N -4.00 -1.46 -3.86 1.51 1.02 -1.26 -5.00 120.64 107.59 1bx4 n GLU 237 Ca -0.03 0.90 -0.11 0.00 -0.02 0.00 0.00 57.16 57.90 1bx4 n GLU 237 Cb 0.11 -5.41 -0.09 0.00 -0.02 0.00 0.00 31.44 26.03 1bx4 n GLU 237 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bx4 s THR 238 N -2.91 0.10 -0.06 2.62 -1.32 -1.26 -5.05 115.64 107.76 1bx4 s THR 238 Ca 0.00 -0.79 0.01 0.00 -1.21 0.00 0.00 61.69 59.70 1bx4 s THR 238 Cb 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1bx4 s THR 238 CO 0.00 -0.43 0.52 0.29 -2.21 0.00 0.00 174.62 172.79 1bx4 n LYS 239 N 1.12 -0.90 -2.42 7.08 5.02 -1.26 -4.76 118.16 122.04 1bx4 n LYS 239 Ca -0.21 -0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 55.11 1bx4 n LYS 239 Cb 0.57 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 1bx4 n LYS 239 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1bx4 s ASP 240 N -0.05 6.96 0.31 4.39 2.15 -1.26 -4.95 116.67 124.21 1bx4 s ASP 240 Ca 0.01 1.74 0.02 0.00 0.43 0.00 0.00 52.55 54.75 1bx4 s ASP 240 Cb 0.00 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.67 1bx4 s ASP 240 CO 0.01 -0.72 1.89 -0.29 -0.17 0.00 0.00 175.17 175.88 1bx4 h ILE 241 N 5.37 0.99 -0.18 4.11 6.09 -1.98 -0.76 117.51 131.14 1bx4 h ILE 241 Ca -0.29 -0.33 -0.14 0.00 -1.37 0.00 0.00 64.86 62.73 1bx4 h ILE 241 Cb 1.12 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 1bx4 h ILE 241 CO 0.95 0.18 -0.48 0.11 -3.07 0.00 0.00 178.15 175.83 1bx4 h LYS 242 N 0.96 0.48 -0.16 2.19 1.57 -1.99 -1.31 116.57 118.32 1bx4 h LYS 242 Ca 0.43 -0.27 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 1bx4 h LYS 242 Cb 0.36 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1bx4 h LYS 242 CO -0.18 0.86 -0.76 1.49 -0.57 0.00 0.00 179.45 180.29 1bx4 h GLU 243 N 0.39 0.76 -0.51 3.15 4.57 -1.79 -1.98 114.58 119.16 1bx4 h GLU 243 Ca 0.02 -0.61 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 1bx4 h GLU 243 Cb 0.98 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 1bx4 h GLU 243 CO 0.09 1.22 0.17 0.82 -1.18 0.00 0.00 179.01 180.12 1bx4 h ILE 244 N 0.52 1.23 -0.94 2.32 2.04 -1.08 -1.01 117.51 120.59 1bx4 h ILE 244 Ca -0.05 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1bx4 h ILE 244 Cb 1.38 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1bx4 h ILE 244 CO 0.15 0.28 0.60 0.00 0.00 0.00 0.00 178.15 179.19 1bx4 h ALA 245 N 1.02 1.29 0.11 1.87 0.00 -1.17 -0.20 119.26 122.18 1bx4 h ALA 245 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bx4 h ALA 245 Cb 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bx4 h ALA 245 CO -0.01 0.64 -0.05 -0.22 0.00 0.00 0.00 179.25 179.61 1bx4 h LYS 246 N 1.29 -0.14 -0.61 0.00 3.64 -1.02 -1.18 116.57 118.55 1bx4 h LYS 246 Ca 0.34 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1bx4 h LYS 246 Cb -0.11 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1bx4 h LYS 246 CO -0.07 0.05 0.14 0.87 -2.27 0.00 0.00 179.45 178.17 1bx4 h LYS 247 N -0.31 0.96 -0.54 1.90 1.57 -0.98 -2.42 116.57 116.74 1bx4 h LYS 247 Ca -0.01 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1bx4 h LYS 247 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1bx4 h LYS 247 CO 0.02 0.86 -0.04 1.15 -0.57 0.00 0.00 179.45 180.87 1bx4 h THR 248 N 0.91 1.27 -0.70 -0.16 2.02 -1.00 -2.71 112.91 112.53 1bx4 h THR 248 Ca 0.19 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1bx4 h THR 248 Cb 0.34 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1bx4 h THR 248 CO 0.00 0.42 0.43 -0.61 0.37 0.00 0.00 175.52 176.13 1bx4 h GLN 249 N 0.87 0.94 0.00 6.66 -0.00 -0.87 -2.71 115.11 119.99 1bx4 h GLN 249 Ca 0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1bx4 h GLN 249 Cb 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1bx4 h GLN 249 CO 0.04 0.65 0.00 0.00 0.00 0.00 0.00 178.83 179.52 1bx4 n ALA 250 N -2.43 2.33 -1.42 3.38 0.00 -0.94 -4.63 120.51 116.80 1bx4 n ALA 250 Ca 0.07 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 1bx4 n ALA 250 Cb 0.06 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.16 1bx4 n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bx4 n LEU 251 N -1.29 3.71 -4.58 0.00 4.77 -1.03 -4.85 117.00 113.73 1bx4 n LEU 251 Ca 0.12 0.69 -0.50 0.00 -0.03 0.00 0.00 56.01 56.30 1bx4 n LEU 251 Cb 0.21 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 1bx4 n LEU 251 CO 0.20 -1.95 0.77 -2.65 -1.33 0.00 0.00 177.39 172.43 1bx4 n PRO 252 N -1.75 1.16 -4.61 3.23 -0.02 -1.26 -4.99 135.00 126.75 1bx4 n PRO 252 Ca 0.13 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 1bx4 n PRO 252 Cb 0.49 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.86 1bx4 n PRO 252 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1bx4 s LYS 253 N -0.16 1.27 -0.06 -0.52 2.20 -1.26 -4.09 119.74 117.13 1bx4 s LYS 253 Ca 0.76 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 1bx4 s LYS 253 Cb -0.88 -1.17 -0.11 0.00 -1.51 0.00 0.00 37.83 34.17 1bx4 s LYS 253 CO 0.51 0.22 0.65 1.98 -0.36 0.00 0.00 175.35 178.34 1bx4 h MET 254 N 6.15 -0.29 -6.47 4.03 1.85 -1.58 -3.43 114.93 115.19 1bx4 h MET 254 Ca -0.33 0.02 -0.55 0.00 -0.61 0.00 0.00 59.70 58.23 1bx4 h MET 254 Cb 1.17 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 33.19 1bx4 h MET 254 CO 0.48 -0.00 1.02 1.21 -0.40 0.00 0.00 176.91 179.22 1bx4 s ASN 255 N -5.30 6.31 0.26 1.39 3.04 -1.26 -4.91 114.94 114.46 1bx4 s ASN 255 Ca -0.09 -0.15 0.23 0.00 0.04 0.00 0.00 52.86 52.90 1bx4 s ASN 255 Cb 0.00 -2.56 0.98 0.00 -1.54 0.00 0.00 41.25 38.14 1bx4 s ASN 255 CO 0.32 -1.66 1.71 -1.54 -3.04 0.00 0.00 177.10 172.89 1bx4 n SER 256 N 8.91 0.66 0.05 -4.21 3.41 -1.26 -3.17 113.62 118.01 1bx4 n SER 256 Ca 0.06 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1bx4 n SER 256 Cb 0.49 -0.81 0.46 0.00 -0.26 0.00 0.00 64.21 64.10 1bx4 n SER 256 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bx4 n LYS 257 N -2.23 0.11 -3.73 4.33 5.02 -1.26 -4.72 118.16 115.68 1bx4 n LYS 257 Ca 0.02 0.21 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 1bx4 n LYS 257 Cb 0.22 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.41 1bx4 n LYS 257 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1bx4 s ARG 258 N -3.09 -0.05 0.35 1.97 0.52 -1.19 -5.14 118.95 112.31 1bx4 s ARG 258 Ca 0.09 0.27 -0.21 0.00 -0.52 0.00 0.00 55.73 55.37 1bx4 s ARG 258 Cb 0.13 -0.37 -0.10 0.00 0.52 0.00 0.00 34.95 35.13 1bx4 s ARG 258 CO 0.45 -0.24 0.87 -0.65 0.02 0.00 0.00 175.30 175.75 1bx4 s GLN 259 N 1.56 4.27 0.46 3.54 -1.52 -1.26 -4.88 119.66 121.83 1bx4 s GLN 259 Ca -0.03 1.03 -0.22 0.00 -1.95 0.00 0.00 55.36 54.20 1bx4 s GLN 259 Cb -0.13 -2.49 -0.08 0.00 -0.22 0.00 0.00 33.01 30.09 1bx4 s GLN 259 CO -0.03 0.15 1.08 0.50 -0.25 0.00 0.00 175.29 176.74 1bx4 s ARG 260 N -2.68 3.83 -0.09 2.91 3.52 -1.26 -4.94 118.95 120.23 1bx4 s ARG 260 Ca 0.55 1.54 0.03 0.00 -0.13 0.00 0.00 55.73 57.72 1bx4 s ARG 260 Cb -0.13 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1bx4 s ARG 260 CO 0.18 -0.44 -0.20 0.42 -0.81 0.00 0.00 175.30 174.45 1bx4 s ILE 261 N -1.75 1.75 -0.11 4.11 1.01 -0.44 -4.23 121.20 121.53 1bx4 s ILE 261 Ca 0.64 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1bx4 s ILE 261 Cb -0.22 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1bx4 s ILE 261 CO 0.27 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.82 1bx4 s VAL 262 N 0.52 2.52 -0.19 2.92 1.01 -0.48 -1.56 120.40 125.14 1bx4 s VAL 262 Ca -0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1bx4 s VAL 262 Cb -0.17 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1bx4 s VAL 262 CO 0.06 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1bx4 s ILE 263 N 0.30 1.31 -0.22 2.22 1.01 -0.18 -0.67 121.20 124.96 1bx4 s ILE 263 Ca -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1bx4 s ILE 263 Cb -0.17 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1bx4 s ILE 263 CO 0.07 0.08 -0.10 -0.36 0.00 0.00 0.00 174.94 174.63 1bx4 s PHE 264 N 1.53 2.98 0.50 3.97 2.99 -0.18 -2.38 117.98 127.39 1bx4 s PHE 264 Ca -0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 56.93 55.32 1bx4 s PHE 264 Cb -0.16 -2.02 -0.05 0.00 0.00 0.00 0.00 43.02 40.78 1bx4 s PHE 264 CO -0.08 -0.72 0.87 0.95 -0.00 0.00 0.00 175.22 176.24 1bx4 s THR 265 N 1.33 4.76 -0.27 0.64 -4.23 -0.73 -0.86 115.64 116.28 1bx4 s THR 265 Ca 0.02 0.68 0.19 0.00 -1.18 0.00 0.00 61.69 61.40 1bx4 s THR 265 Cb -0.15 -3.80 0.50 0.00 1.34 0.00 0.00 72.50 70.39 1bx4 s THR 265 CO -0.07 -0.79 1.13 0.00 -0.54 0.00 0.00 174.62 174.36 1bx4 n GLN 266 N -1.94 2.24 0.00 3.99 6.02 -1.25 -1.49 117.38 124.94 1bx4 n GLN 266 Ca 0.03 -3.69 0.00 0.00 -0.01 0.00 0.00 57.00 53.34 1bx4 n GLN 266 Cb 0.54 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1bx4 n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bx4 n GLY 267 N -0.63 3.58 0.03 1.08 0.00 -1.26 -1.42 105.19 106.57 1bx4 n GLY 267 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1bx4 n GLY 267 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bx4 n ARG 268 N 13.31 0.08 -2.20 1.61 1.85 -1.26 -4.87 116.66 125.19 1bx4 n ARG 268 Ca 0.00 0.06 -0.26 0.00 -1.00 0.00 0.00 57.85 56.65 1bx4 n ARG 268 Cb 0.00 -1.59 0.07 0.00 -1.05 0.00 0.00 32.46 29.89 1bx4 n ARG 268 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1bx4 s ASP 269 N -3.46 4.88 0.29 2.89 1.01 -0.51 -4.56 116.67 117.20 1bx4 s ASP 269 Ca 0.13 0.51 -0.29 0.00 0.71 0.00 0.00 52.55 53.60 1bx4 s ASP 269 Cb 0.17 -1.19 -0.13 0.00 1.01 0.00 0.00 42.92 42.78 1bx4 s ASP 269 CO 0.57 -1.56 1.28 0.47 0.21 0.00 0.00 175.17 176.13 1bx4 n ASP 270 N -2.91 2.43 -4.71 0.27 9.92 -1.26 -4.04 116.55 116.24 1bx4 n ASP 270 Ca 0.08 1.18 -0.42 0.00 -0.53 0.00 0.00 54.79 55.09 1bx4 n ASP 270 Cb 0.60 -1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1bx4 n ASP 270 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bx4 s THR 271 N -0.67 4.67 -0.19 -3.53 2.01 -0.17 -3.97 115.64 113.80 1bx4 s THR 271 Ca 0.61 1.92 -0.09 0.00 0.31 0.00 0.00 61.69 64.44 1bx4 s THR 271 Cb -0.64 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 67.60 1bx4 s THR 271 CO 0.57 0.15 0.10 -0.63 -0.69 0.00 0.00 174.62 174.11 1bx4 s ILE 272 N 1.03 5.12 -0.13 1.82 -1.09 -0.04 -0.63 121.20 127.30 1bx4 s ILE 272 Ca 0.54 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1bx4 s ILE 272 Cb -0.23 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1bx4 s ILE 272 CO 0.28 0.46 -0.16 -0.32 -1.23 0.00 0.00 174.94 173.97 1bx4 s MET 273 N 0.31 2.37 -0.15 2.79 -2.45 -0.22 -1.01 119.30 120.94 1bx4 s MET 273 Ca 0.06 -0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 53.86 1bx4 s MET 273 Cb -0.12 -2.04 -0.03 0.00 1.25 0.00 0.00 34.83 33.90 1bx4 s MET 273 CO -0.01 -0.11 -0.05 0.00 1.05 0.00 0.00 175.02 175.90 1bx4 s ALA 274 N 1.10 2.94 0.36 4.11 0.00 0.15 -0.82 121.76 129.61 1bx4 s ALA 274 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1bx4 s ALA 274 Cb -0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 1bx4 s ALA 274 CO -0.04 0.22 0.03 0.25 0.00 0.00 0.00 175.76 176.22 1bx4 n THR 275 N 3.53 0.00 -0.31 0.00 -2.24 -0.13 -1.38 114.28 113.74 1bx4 n THR 275 Ca -0.17 -1.79 0.06 0.00 -2.27 0.00 0.00 64.05 59.88 1bx4 n THR 275 Cb 0.52 0.43 0.26 0.00 -2.10 0.00 0.00 70.33 69.44 1bx4 n THR 275 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bx4 h GLU 276 N 0.00 0.95 0.00 -0.78 4.81 -1.94 -3.27 114.58 114.35 1bx4 h GLU 276 Ca -0.29 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.67 1bx4 h GLU 276 Cb 0.94 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1bx4 h GLU 276 CO 0.48 0.63 -1.72 -1.13 -0.73 0.00 0.00 179.01 176.54 1bx4 n SER 277 N -4.52 0.60 -3.36 1.04 3.41 -1.26 -5.05 113.62 104.47 1bx4 n SER 277 Ca 0.15 0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.98 1bx4 n SER 277 Cb 0.27 0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.71 1bx4 n SER 277 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1bx4 s GLU 278 N -2.85 1.65 -0.14 4.33 -1.05 -1.23 -5.15 118.70 114.26 1bx4 s GLU 278 Ca -0.05 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 53.76 1bx4 s GLU 278 Cb 0.09 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 1bx4 s GLU 278 CO 0.83 -0.77 -0.17 0.08 0.95 0.00 0.00 175.26 176.18 1bx4 s VAL 279 N -2.65 1.74 0.25 1.83 1.01 -1.26 -0.96 120.40 120.36 1bx4 s VAL 279 Ca 0.17 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.49 1bx4 s VAL 279 Cb -0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1bx4 s VAL 279 CO 0.07 0.49 -0.19 0.42 0.00 0.00 0.00 175.10 175.89 1bx4 s THR 280 N 1.14 2.25 -0.01 3.92 -4.23 0.00 -4.97 115.64 113.74 1bx4 s THR 280 Ca -0.02 -2.33 0.07 0.00 -1.18 0.00 0.00 61.69 58.24 1bx4 s THR 280 Cb -0.14 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1bx4 s THR 280 CO -0.06 -0.44 -0.23 0.00 -0.54 0.00 0.00 174.62 173.35 1bx4 s ALA 281 N -2.60 2.33 -0.19 3.99 0.00 -1.26 -1.06 121.76 122.96 1bx4 s ALA 281 Ca 0.27 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1bx4 s ALA 281 Cb -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1bx4 s ALA 281 CO 0.12 0.54 -0.11 -0.06 0.00 0.00 0.00 175.76 176.25 1bx4 s PHE 282 N -0.71 2.45 0.46 0.00 0.40 0.20 -4.96 117.98 115.83 1bx4 s PHE 282 Ca 0.11 -1.59 -0.24 0.00 -0.60 0.00 0.00 56.93 54.61 1bx4 s PHE 282 Cb -0.10 -1.67 -0.07 0.00 0.51 0.00 0.00 43.02 41.69 1bx4 s PHE 282 CO 0.01 -0.75 1.34 0.00 0.70 0.00 0.00 175.22 176.52 1bx4 s ALA 283 N 1.39 3.10 -0.51 5.36 0.00 -1.26 -0.99 121.76 128.84 1bx4 s ALA 283 Ca -0.01 1.30 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 1bx4 s ALA 283 Cb -0.16 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.48 1bx4 s ALA 283 CO -0.09 -1.07 0.72 0.08 0.00 0.00 0.00 175.76 175.40 1bx4 s VAL 284 N -1.29 4.73 -0.42 0.00 1.01 -1.26 -4.87 120.40 118.30 1bx4 s VAL 284 Ca 0.63 -0.17 0.26 0.00 0.00 0.00 0.00 61.98 62.69 1bx4 s VAL 284 Cb -0.39 -4.35 0.33 0.00 0.00 0.00 0.00 36.38 31.97 1bx4 s VAL 284 CO 0.49 -0.85 1.72 -0.07 0.00 0.00 0.00 175.10 176.39 1bx4 h LEU 285 N 10.05 0.00 -7.94 3.92 3.38 -1.93 -3.40 115.31 119.38 1bx4 h LEU 285 Ca -0.27 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.02 1bx4 h LEU 285 Cb 1.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1bx4 h LEU 285 CO 0.99 0.00 1.17 -0.62 0.09 0.00 0.00 178.44 180.07 1bx4 s ASP 286 N -5.59 6.71 0.00 -0.43 2.15 -1.26 -4.85 116.67 113.40 1bx4 s ASP 286 Ca 0.07 -2.15 0.26 0.00 0.43 0.00 0.00 52.55 51.15 1bx4 s ASP 286 Cb 0.08 -2.45 0.59 0.00 -0.30 0.00 0.00 42.92 40.84 1bx4 s ASP 286 CO 0.61 -1.09 1.48 0.00 -0.17 0.00 0.00 175.17 176.00 1bx4 n GLN 287 N 6.96 1.83 -2.10 4.34 1.13 -1.26 -4.93 117.38 123.35 1bx4 n GLN 287 Ca 0.30 -1.32 -0.43 0.00 -1.94 0.00 0.00 57.00 53.61 1bx4 n GLN 287 Cb 0.48 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 1bx4 n GLN 287 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bx4 s ASP 288 N -2.08 6.34 0.21 1.08 1.01 -1.26 -4.90 116.67 117.08 1bx4 s ASP 288 Ca 0.31 1.61 0.23 0.00 0.71 0.00 0.00 52.55 55.41 1bx4 s ASP 288 Cb 0.20 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.72 1bx4 s ASP 288 CO 0.35 -1.29 1.17 1.56 0.21 0.00 0.00 175.17 177.18 1bx4 h GLN 289 N 10.88 0.00 -0.76 8.23 1.08 -2.02 -3.41 115.11 129.10 1bx4 h GLN 289 Ca -0.34 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1bx4 h GLN 289 Cb 1.15 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.47 1bx4 h GLN 289 CO 1.00 0.00 0.20 0.87 -0.95 0.00 0.00 178.83 179.95 1bx4 h LYS 290 N 0.00 0.27 -0.60 1.46 1.57 -2.03 -2.53 116.57 114.71 1bx4 h LYS 290 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bx4 h LYS 290 Cb 0.94 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1bx4 h LYS 290 CO 0.00 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 1bx4 n GLU 291 N -5.15 2.76 -1.95 3.15 1.02 -1.26 -4.96 120.64 114.25 1bx4 n GLU 291 Ca 0.15 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.71 1bx4 n GLU 291 Cb 0.49 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1bx4 n GLU 291 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bx4 s ILE 292 N -1.51 2.61 0.00 -3.67 1.01 -0.96 -4.40 121.20 114.28 1bx4 s ILE 292 Ca 0.39 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1bx4 s ILE 292 Cb 0.23 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1bx4 s ILE 292 CO 0.23 0.05 0.00 -0.38 0.00 0.00 0.00 174.94 174.83 1bx4 n ILE 293 N 3.52 0.00 -3.58 2.92 2.08 0.84 -4.98 119.36 120.16 1bx4 n ILE 293 Ca 0.12 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.14 1bx4 n ILE 293 Cb 0.39 -1.42 -0.14 0.00 -0.75 0.00 0.00 39.64 37.72 1bx4 n ILE 293 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1bx4 s ASP 294 N -4.94 3.45 0.39 4.38 2.15 -1.00 -5.00 116.67 116.11 1bx4 s ASP 294 Ca 0.00 -1.88 0.20 0.00 0.43 0.00 0.00 52.55 51.30 1bx4 s ASP 294 Cb 0.00 -0.57 0.69 0.00 -0.30 0.00 0.00 42.92 42.74 1bx4 s ASP 294 CO 0.00 -0.36 1.73 0.71 -0.17 0.00 0.00 175.17 177.08 1bx4 h THR 295 N 5.75 0.74 -0.05 1.71 1.35 -1.94 -2.25 112.91 118.22 1bx4 h THR 295 Ca -0.07 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.33 1bx4 h THR 295 Cb 0.98 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1bx4 h THR 295 CO 0.39 0.32 -0.01 0.78 -0.25 0.00 0.00 175.52 176.75 1bx4 h ASN 296 N 0.00 0.10 0.08 5.36 2.35 -1.99 -2.72 115.58 118.75 1bx4 h ASN 296 Ca -0.00 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 1bx4 h ASN 296 Cb 0.90 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1bx4 h ASN 296 CO 0.04 0.45 -0.13 1.23 -1.65 0.00 0.00 177.43 177.37 1bx4 h GLY 297 N -0.26 0.13 1.25 2.83 0.00 -1.95 -2.01 103.07 103.06 1bx4 h GLY 297 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1bx4 h GLY 297 CO 0.01 0.07 0.48 0.00 0.00 0.00 0.00 176.54 177.09 1bx4 h ALA 298 N 1.75 1.42 -0.57 3.60 0.00 -1.17 -0.26 119.26 124.04 1bx4 h ALA 298 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1bx4 h ALA 298 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bx4 h ALA 298 CO 0.02 0.52 -0.01 0.78 0.00 0.00 0.00 179.25 180.56 1bx4 h GLY 299 N 1.04 1.09 1.09 0.00 0.00 -1.07 -0.09 103.07 105.14 1bx4 h GLY 299 Ca 0.27 -0.82 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1bx4 h GLY 299 CO -0.06 0.75 0.10 -0.55 0.00 0.00 0.00 176.54 176.78 1bx4 h ASP 300 N 0.90 1.06 -0.02 0.19 3.32 -1.22 -2.87 116.42 117.79 1bx4 h ASP 300 Ca 0.16 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1bx4 h ASP 300 Cb 0.56 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1bx4 h ASP 300 CO 0.03 1.05 -0.27 0.00 -1.72 0.00 0.00 179.24 178.34 1bx4 h ALA 301 N 1.07 1.11 -0.37 3.45 0.00 -0.83 -1.79 119.26 121.91 1bx4 h ALA 301 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bx4 h ALA 301 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1bx4 h ALA 301 CO 0.01 0.55 0.24 0.35 0.00 0.00 0.00 179.25 180.41 1bx4 h PHE 302 N 0.39 0.46 -0.56 0.00 3.57 -0.83 -0.96 116.94 119.01 1bx4 h PHE 302 Ca 0.06 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1bx4 h PHE 302 Cb 0.68 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1bx4 h PHE 302 CO 0.02 0.30 0.14 0.28 -2.23 0.00 0.00 178.31 176.83 1bx4 h VAL 303 N 0.49 1.25 -0.76 1.41 2.07 -1.31 -1.74 116.25 117.66 1bx4 h VAL 303 Ca 0.13 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1bx4 h VAL 303 Cb -0.05 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1bx4 h VAL 303 CO -0.03 0.32 0.49 1.23 0.02 0.00 0.00 177.57 179.61 1bx4 h GLY 304 N 0.80 1.08 0.88 2.17 0.00 -1.00 -0.34 103.07 106.66 1bx4 h GLY 304 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1bx4 h GLY 304 CO 0.00 0.36 0.04 -1.33 0.00 0.00 0.00 176.54 175.61 1bx4 h GLY 305 N 0.99 0.51 0.76 4.60 0.00 -1.03 -2.11 103.07 106.79 1bx4 h GLY 305 Ca 0.29 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1bx4 h GLY 305 CO -0.08 0.32 -0.08 -2.75 0.00 0.00 0.00 176.54 173.95 1bx4 h PHE 306 N 0.29 -0.19 -0.59 5.60 3.57 -0.97 -2.71 116.94 121.96 1bx4 h PHE 306 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1bx4 h PHE 306 Cb 0.34 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1bx4 h PHE 306 CO 0.02 -0.12 0.39 -0.07 -2.23 0.00 0.00 178.31 176.30 1bx4 h LEU 307 N -0.12 0.54 -1.88 0.59 3.38 -1.01 -2.42 115.31 114.39 1bx4 h LEU 307 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1bx4 h LEU 307 Cb 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1bx4 h LEU 307 CO -0.10 0.36 -0.10 0.77 0.09 0.00 0.00 178.44 179.46 1bx4 h SER 308 N 0.62 0.00 0.47 -0.43 4.64 -1.04 -2.49 113.55 115.32 1bx4 h SER 308 Ca 0.25 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.30 1bx4 h SER 308 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1bx4 h SER 308 CO -0.07 0.10 -1.73 0.00 -0.87 0.00 0.00 176.83 174.26 1bx4 n GLN 309 N -4.26 0.64 -0.23 4.77 1.13 -0.95 -3.84 117.38 114.63 1bx4 n GLN 309 Ca -0.03 0.24 -0.05 0.00 -1.94 0.00 0.00 57.00 55.22 1bx4 n GLN 309 Cb 0.18 -1.76 0.10 0.00 0.11 0.00 0.00 30.24 28.86 1bx4 n GLN 309 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1bx4 h LEU 310 N 0.00 1.00 -0.26 1.08 5.85 -1.19 -1.79 115.31 120.00 1bx4 h LEU 310 Ca -0.29 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1bx4 h LEU 310 Cb 1.93 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1bx4 h LEU 310 CO 0.06 0.93 0.00 1.33 -0.34 0.00 0.00 178.44 180.43 1bx4 n VAL 311 N -4.26 0.65 1.15 1.05 0.24 -0.96 -2.17 118.33 114.04 1bx4 n VAL 311 Ca 0.06 -0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.43 1bx4 n VAL 311 Cb 0.23 -0.81 0.33 0.00 -1.47 0.00 0.00 33.84 32.12 1bx4 n VAL 311 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1bx4 n SER 312 N -2.16 2.22 -2.88 -1.34 7.64 -0.89 -4.40 113.62 111.81 1bx4 n SER 312 Ca 0.04 -1.75 -0.14 0.00 1.01 0.00 0.00 58.87 58.04 1bx4 n SER 312 Cb 0.34 -0.05 0.07 0.00 -1.01 0.00 0.00 64.21 63.56 1bx4 n SER 312 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1bx4 n ASP 313 N 0.71 -2.44 -4.93 6.43 2.03 -0.92 -5.03 116.55 112.40 1bx4 n ASP 313 Ca 0.17 -0.47 -0.21 0.00 0.52 0.00 0.00 54.79 54.80 1bx4 n ASP 313 Cb 0.45 -4.06 -0.03 0.00 -0.72 0.00 0.00 41.12 36.77 1bx4 n ASP 313 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1bx4 s LYS 314 N -5.17 3.31 0.83 -0.67 -0.14 -0.73 -5.05 119.74 112.13 1bx4 s LYS 314 Ca 0.06 -0.84 -0.12 0.00 -1.36 0.00 0.00 55.97 53.71 1bx4 s LYS 314 Cb -0.02 -2.81 0.10 0.00 -1.68 0.00 0.00 37.83 33.42 1bx4 s LYS 314 CO 0.56 0.41 1.17 -2.14 -0.76 0.00 0.00 175.35 174.60 1bx4 s PRO 315 N -3.95 1.53 0.40 -1.68 0.02 -1.26 -4.80 135.00 125.26 1bx4 s PRO 315 Ca 0.34 1.62 0.08 0.00 0.02 0.00 0.00 61.00 63.05 1bx4 s PRO 315 Cb -0.09 -1.78 0.85 0.00 0.02 0.00 0.00 34.50 33.51 1bx4 s PRO 315 CO 0.28 -2.26 2.03 -0.07 -0.33 0.00 0.00 177.00 176.65 1bx4 h LEU 316 N -1.20 0.50 -0.88 -5.54 3.38 -1.98 -1.95 115.31 107.63 1bx4 h LEU 316 Ca -0.45 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.60 1bx4 h LEU 316 Cb 1.28 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1bx4 h LEU 316 CO 0.45 0.35 0.53 0.71 0.09 0.00 0.00 178.44 180.57 1bx4 h THR 317 N 0.58 0.97 -0.10 0.22 1.35 -2.00 -0.77 112.91 113.17 1bx4 h THR 317 Ca 0.19 -0.31 -0.18 0.00 -0.55 0.00 0.00 66.41 65.56 1bx4 h THR 317 Cb 0.05 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.44 1bx4 h THR 317 CO -0.05 0.17 -0.68 -0.08 -0.25 0.00 0.00 175.52 174.63 1bx4 h GLU 318 N 0.92 0.42 -0.63 4.72 4.57 -1.73 -1.69 114.58 121.16 1bx4 h GLU 318 Ca 0.41 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1bx4 h GLU 318 Cb 0.30 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1bx4 h GLU 318 CO -0.22 0.95 0.26 0.00 -1.18 0.00 0.00 179.01 178.82 1bx4 h ILE 320 N 0.87 1.27 -0.77 0.00 2.04 -1.10 -1.27 117.51 118.55 1bx4 h ILE 320 Ca 0.21 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1bx4 h ILE 320 Cb 0.18 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1bx4 h ILE 320 CO -0.02 0.40 0.42 -0.09 0.00 0.00 0.00 178.15 178.86 1bx4 h ARG 321 N 0.72 1.07 -0.59 2.37 2.43 -1.08 -0.74 114.38 118.56 1bx4 h ARG 321 Ca 0.13 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1bx4 h ARG 321 Cb 0.59 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1bx4 h ARG 321 CO 0.04 0.79 0.10 0.00 -1.51 0.00 0.00 179.97 179.39 1bx4 h ALA 322 N 1.22 1.08 -0.27 2.80 0.00 -1.05 -0.66 119.26 122.38 1bx4 h ALA 322 Ca 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bx4 h ALA 322 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1bx4 h ALA 322 CO -0.04 0.60 0.05 0.78 0.00 0.00 0.00 179.25 180.64 1bx4 h GLY 323 N 1.02 0.48 1.40 0.00 0.00 -0.76 -1.16 103.07 104.03 1bx4 h GLY 323 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1bx4 h GLY 323 CO 0.01 0.29 0.11 0.45 0.00 0.00 0.00 176.54 177.40 1bx4 h HIS 324 N 0.26 0.78 0.16 5.60 -0.00 -0.98 -1.53 115.15 119.44 1bx4 h HIS 324 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1bx4 h HIS 324 Cb 0.32 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1bx4 h HIS 324 CO 0.02 0.66 -0.08 -0.92 -0.00 0.00 0.00 177.93 177.62 1bx4 h TYR 325 N 0.73 -0.19 -0.69 2.45 3.20 -0.87 -1.31 116.97 120.28 1bx4 h TYR 325 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1bx4 h TYR 325 Cb 0.28 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1bx4 h TYR 325 CO 0.01 0.09 0.28 0.00 -1.64 0.00 0.00 178.16 176.91 1bx4 h ALA 326 N 0.31 1.20 -0.67 1.82 0.00 -1.16 -2.15 119.26 118.62 1bx4 h ALA 326 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1bx4 h ALA 326 Cb 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1bx4 h ALA 326 CO 0.04 0.58 0.21 0.00 0.00 0.00 0.00 179.25 180.08 1bx4 h ALA 327 N 1.32 1.11 0.00 0.00 0.00 -1.20 -2.06 119.26 118.42 1bx4 h ALA 327 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1bx4 h ALA 327 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1bx4 h ALA 327 CO -0.02 0.61 -0.23 0.66 0.00 0.00 0.00 179.25 180.27 1bx4 h SER 328 N 0.99 0.00 0.02 0.00 4.64 -0.58 -0.88 113.55 117.74 1bx4 h SER 328 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1bx4 h SER 328 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1bx4 h SER 328 CO -0.01 0.23 -0.01 0.40 -0.87 0.00 0.00 176.83 176.57 1bx4 h ILE 329 N 0.00 1.12 -0.37 0.95 1.08 -1.16 -3.38 117.51 115.74 1bx4 h ILE 329 Ca -0.00 -1.76 -0.06 0.00 -0.39 0.00 0.00 64.86 62.65 1bx4 h ILE 329 Cb 0.46 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1bx4 h ILE 329 CO 0.03 0.37 -0.04 0.40 -0.69 0.00 0.00 178.15 178.22 1bx4 h ILE 330 N -0.97 1.22 -0.02 -0.67 5.03 -1.32 -3.09 117.51 117.69 1bx4 h ILE 330 Ca -0.00 -0.93 0.01 0.00 -0.12 0.00 0.00 64.86 63.81 1bx4 h ILE 330 Cb 0.62 0.98 -0.00 0.00 -3.03 0.00 0.00 36.82 35.39 1bx4 h ILE 330 CO 0.00 0.32 0.03 -0.29 -0.68 0.00 0.00 178.15 177.54 1bx4 h ILE 331 N 0.57 0.39 -0.66 -0.67 2.10 -1.33 -1.66 117.51 116.26 1bx4 h ILE 331 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.05 1bx4 h ILE 331 Cb 0.42 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1bx4 h ILE 331 CO 0.02 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.63 1bx4 n ARG 332 N -3.65 3.55 -4.30 2.19 1.74 -1.17 -0.11 116.66 114.90 1bx4 n ARG 332 Ca -0.02 -2.80 -0.17 0.00 -0.77 0.00 0.00 57.85 54.09 1bx4 n ARG 332 Cb 0.12 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 29.62 1bx4 n ARG 332 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1bx4 s ARG 333 N -1.72 1.46 0.04 5.56 0.52 -0.62 -4.76 118.95 119.43 1bx4 s ARG 333 Ca 0.50 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.93 1bx4 s ARG 333 Cb 0.31 -0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1bx4 s ARG 333 CO 0.26 -0.39 0.01 0.95 0.02 0.00 0.00 175.30 176.16 1bx4 s THR 334 N -3.76 4.18 -0.76 0.02 -4.23 -1.26 -4.31 115.64 105.52 1bx4 s THR 334 Ca 0.37 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1bx4 s THR 334 Cb 0.06 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1bx4 s THR 334 CO 0.15 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1bx4 n GLY 335 N 1.01 0.27 3.97 3.99 0.00 -1.26 -3.42 105.19 109.75 1bx4 n GLY 335 Ca -0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1bx4 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bx4 s THR 337 N -3.45 3.63 0.20 0.00 -4.23 -1.22 -4.97 115.64 105.60 1bx4 s THR 337 Ca 0.49 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 60.21 1bx4 s THR 337 Cb -0.26 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1bx4 s THR 337 CO 0.86 -0.22 0.57 0.72 -0.54 0.00 0.00 174.62 176.01 1bx4 s PHE 338 N -2.57 -0.22 0.97 3.99 -0.12 -1.26 -4.52 117.98 114.26 1bx4 s PHE 338 Ca 0.51 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 57.16 1bx4 s PHE 338 Cb -0.10 0.47 0.18 0.00 -0.63 0.00 0.00 43.02 42.94 1bx4 s PHE 338 CO 0.37 -0.95 1.10 -1.25 -0.05 0.00 0.00 175.22 174.44 1bx4 s PRO 339 N -3.85 0.58 0.34 1.99 0.04 -1.26 -4.90 135.00 127.93 1bx4 s PRO 339 Ca 0.08 1.18 0.12 0.00 0.04 0.00 0.00 61.00 62.41 1bx4 s PRO 339 Cb -0.02 -1.70 0.94 0.00 0.04 0.00 0.00 34.50 33.76 1bx4 s PRO 339 CO -0.04 -2.81 1.73 0.93 0.04 0.00 0.00 177.00 176.85 1bx4 h GLU 340 N -1.98 0.51 -3.75 4.56 4.39 -2.04 -3.42 114.58 112.85 1bx4 h GLU 340 Ca -0.50 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 58.97 1bx4 h GLU 340 Cb 1.29 -0.12 -0.26 0.00 -0.10 0.00 0.00 28.75 29.57 1bx4 h GLU 340 CO 0.47 0.34 -0.69 0.15 -1.16 0.00 0.00 179.01 178.12 1bx4 s LYS 341 N -5.71 0.12 0.50 2.33 1.02 -1.26 -5.15 119.74 111.59 1bx4 s LYS 341 Ca -0.10 -0.17 -0.20 0.00 0.02 0.00 0.00 55.97 55.52 1bx4 s LYS 341 Cb 0.27 0.05 -0.08 0.00 -0.52 0.00 0.00 37.83 37.55 1bx4 s LYS 341 CO 0.80 -0.02 1.05 -1.25 -0.92 0.00 0.00 175.35 175.00 1bx4 s PRO 342 N -0.45 3.74 -0.75 -1.68 0.04 -1.26 -4.98 135.00 129.65 1bx4 s PRO 342 Ca -0.05 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1bx4 s PRO 342 Cb -0.03 -2.08 0.29 0.00 0.04 0.00 0.00 34.50 32.71 1bx4 s PRO 342 CO -0.00 -0.49 1.04 -3.47 0.04 0.00 0.00 177.00 174.12 1bx4 n ASP 343 N -1.03 4.80 -3.74 6.66 2.03 -1.26 -4.98 116.55 119.02 1bx4 n ASP 343 Ca 0.09 -3.52 -0.21 0.00 0.52 0.00 0.00 54.79 51.67 1bx4 n ASP 343 Cb 0.52 -0.81 -0.18 0.00 -0.72 0.00 0.00 41.12 39.94 1bx4 n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1bx4 s PHE 344 N -2.96 0.41 0.00 -0.67 5.36 -1.26 -5.18 117.98 113.68 1bx4 s PHE 344 Ca 0.40 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1bx4 s PHE 344 Cb 0.17 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 1bx4 s PHE 344 CO -0.03 -0.25 0.41 0.72 -1.46 0.00 0.00 175.22 174.61