#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hib s ARG 4 N 0.00 4.46 0.22 1.45 3.52 -1.26 -4.94 118.95 122.40 1hib s ARG 4 Ca 0.00 1.63 0.07 0.00 -0.13 0.00 0.00 55.73 57.29 1hib s ARG 4 Cb 0.00 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 1hib s ARG 4 CO 0.00 -0.21 -0.10 -1.12 -0.81 0.00 0.00 175.30 173.05 1hib s SER 5 N 1.10 2.44 0.09 -2.12 0.01 -1.26 -1.53 113.70 112.43 1hib s SER 5 Ca 0.56 -1.08 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 1hib s SER 5 Cb -0.26 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1hib s SER 5 CO 0.27 -0.27 0.08 -1.48 0.41 0.00 0.00 173.24 172.25 1hib s LEU 6 N -3.33 1.89 -0.13 2.44 0.05 -0.40 -4.98 118.68 114.22 1hib s LEU 6 Ca 0.24 -0.96 0.02 0.00 0.05 0.00 0.00 54.13 53.49 1hib s LEU 6 Cb 0.01 0.53 0.00 0.00 -2.05 0.00 0.00 46.19 44.69 1hib s LEU 6 CO 0.07 -0.70 -0.21 0.20 -0.55 0.00 0.00 176.35 175.17 1hib s ASN 7 N -2.94 3.26 0.35 1.48 0.01 -1.26 -0.70 114.94 115.14 1hib s ASN 7 Ca 0.12 -0.55 -0.09 0.00 -0.71 0.00 0.00 52.86 51.63 1hib s ASN 7 Cb 0.07 -1.47 0.02 0.00 0.41 0.00 0.00 41.25 40.28 1hib s ASN 7 CO -0.06 0.10 0.61 0.00 -1.51 0.00 0.00 177.10 176.24 1hib s GLY 9 N -3.15 2.29 0.04 0.00 0.00 0.48 0.03 107.32 107.01 1hib s GLY 9 Ca 0.23 -2.11 0.05 0.00 0.00 0.00 0.00 44.72 42.90 1hib s GLY 9 CO 0.16 -1.95 -0.16 1.08 0.00 0.00 0.00 173.10 172.23 1hib s LEU 10 N -3.80 2.17 -0.02 0.66 1.43 -1.26 -0.11 118.68 117.75 1hib s LEU 10 Ca 0.38 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1hib s LEU 10 Cb 0.04 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.58 1hib s LEU 10 CO 0.21 0.06 0.03 -0.60 0.23 0.00 0.00 176.35 176.28 1hib s ARG 11 N -1.16 -0.00 1.18 1.70 3.52 0.31 -2.04 118.95 122.46 1hib s ARG 11 Ca 0.03 0.13 -0.19 0.00 -0.13 0.00 0.00 55.73 55.57 1hib s ARG 11 Cb -0.08 -0.13 0.28 0.00 -1.56 0.00 0.00 34.95 33.46 1hib s ARG 11 CO 0.01 -0.09 1.12 0.16 -0.81 0.00 0.00 175.30 175.69 1hib s ASP 12 N 0.60 1.12 0.51 -2.12 1.47 0.55 -0.04 116.67 118.75 1hib s ASP 12 Ca -0.05 0.63 0.28 0.00 1.18 0.00 0.00 52.55 54.59 1hib s ASP 12 Cb -0.07 -0.88 1.32 0.00 -0.34 0.00 0.00 42.92 42.96 1hib s ASP 12 CO -0.02 -4.00 2.00 0.77 0.68 0.00 0.00 175.17 174.60 1hib h SER 13 N -2.50 0.00 -0.30 2.11 4.64 -1.38 -2.20 113.55 113.92 1hib h SER 13 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1hib h SER 13 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1hib h SER 13 CO 0.35 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.45 1hib n GLN 14 N -3.47 1.94 -1.17 4.77 1.13 -1.26 -4.93 117.38 114.40 1hib n GLN 14 Ca -0.01 -1.19 -0.06 0.00 -1.94 0.00 0.00 57.00 53.80 1hib n GLN 14 Cb 0.30 -1.37 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 1hib n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1hib n GLN 15 N 0.40 -0.56 -3.07 -1.09 1.13 -0.83 -4.97 117.38 108.39 1hib n GLN 15 Ca 0.11 0.63 -0.41 0.00 -1.94 0.00 0.00 57.00 55.39 1hib n GLN 15 Cb 0.35 -4.38 -0.06 0.00 0.11 0.00 0.00 30.24 26.26 1hib n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1hib s LYS 16 N -2.20 4.17 0.25 -1.09 1.02 -1.26 -4.27 119.74 116.36 1hib s LYS 16 Ca 0.00 0.65 -0.18 0.00 0.02 0.00 0.00 55.97 56.45 1hib s LYS 16 Cb 0.00 -3.62 -0.08 0.00 -0.52 0.00 0.00 37.83 33.61 1hib s LYS 16 CO 0.00 -0.36 0.73 -1.12 -0.92 0.00 0.00 175.35 173.68 1hib s SER 17 N 1.34 6.98 0.10 2.83 0.01 -0.50 -0.33 113.70 124.13 1hib s SER 17 Ca 0.29 1.38 -0.25 0.00 1.31 0.00 0.00 55.95 58.68 1hib s SER 17 Cb -0.16 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1hib s SER 17 CO 0.09 -0.03 0.77 -0.76 0.41 0.00 0.00 173.24 173.71 1hib s LEU 18 N -2.25 4.52 0.22 2.44 1.43 -0.87 -1.96 118.68 122.22 1hib s LEU 18 Ca 0.46 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1hib s LEU 18 Cb -0.15 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1hib s LEU 18 CO 0.20 0.11 0.08 -0.69 0.23 0.00 0.00 176.35 176.28 1hib s VAL 19 N -0.58 0.47 0.27 -1.59 1.01 -0.10 -1.53 120.40 118.35 1hib s VAL 19 Ca 0.37 -1.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.14 1hib s VAL 19 Cb -0.22 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1hib s VAL 19 CO 0.24 -0.12 0.81 -0.04 0.00 0.00 0.00 175.10 175.99 1hib s MET 20 N -4.03 4.35 0.00 2.72 -1.94 -1.26 -1.06 119.30 118.07 1hib s MET 20 Ca 0.34 1.03 0.00 0.00 -1.71 0.00 0.00 55.69 55.35 1hib s MET 20 Cb 0.07 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1hib s MET 20 CO 0.11 0.32 0.00 0.45 -0.01 0.00 0.00 175.02 175.89 1hib n SER 21 N 0.53 0.00 0.00 3.03 2.88 -0.08 -4.70 113.62 115.28 1hib n SER 21 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1hib n SER 21 Cb 0.51 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1hib n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hib n GLY 22 N 2.59 6.58 0.20 0.46 0.00 -1.22 -5.01 105.19 108.79 1hib n GLY 22 Ca 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.23 1hib n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hib h PRO 23 N 0.00 0.00 -0.32 1.61 0.14 -2.04 -3.34 132.00 128.05 1hib h PRO 23 Ca 0.00 0.00 -0.25 0.00 0.14 0.00 0.00 66.00 65.89 1hib h PRO 23 Cb 0.00 0.00 -0.25 0.00 0.14 0.00 0.00 31.00 30.89 1hib h PRO 23 CO 0.00 0.33 -0.76 0.66 0.14 0.00 0.00 178.00 178.37 1hib n TYR 24 N -3.73 1.12 -3.54 1.56 4.01 -1.26 -5.04 117.16 110.29 1hib n TYR 24 Ca -0.01 -1.70 -0.17 0.00 -0.16 0.00 0.00 57.90 55.86 1hib n TYR 24 Cb 0.43 -0.27 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 1hib n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1hib s GLU 25 N -2.99 1.01 0.21 -0.72 2.12 -1.25 -4.54 118.70 112.53 1hib s GLU 25 Ca 0.41 0.37 0.08 0.00 0.36 0.00 0.00 54.97 56.19 1hib s GLU 25 Cb 0.38 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 35.21 1hib s GLU 25 CO -0.04 -0.29 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.86 1hib s LEU 26 N -0.94 3.20 0.11 2.70 1.43 -1.26 -0.90 118.68 123.03 1hib s LEU 26 Ca -0.09 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1hib s LEU 26 Cb -0.01 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1hib s LEU 26 CO 0.08 0.06 0.07 -1.59 0.23 0.00 0.00 176.35 175.20 1hib s LYS 27 N -3.19 0.88 -0.06 1.70 -2.85 -0.23 -1.47 119.74 114.52 1hib s LYS 27 Ca 0.28 -1.33 0.03 0.00 -1.00 0.00 0.00 55.97 53.95 1hib s LYS 27 Cb -0.08 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1hib s LYS 27 CO 0.18 -0.24 -0.15 0.00 0.10 0.00 0.00 175.35 175.24 1hib s ALA 28 N -4.00 1.42 -0.07 0.59 0.00 -0.06 -0.92 121.76 118.72 1hib s ALA 28 Ca 0.18 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 1hib s ALA 28 Cb 0.07 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1hib s ALA 28 CO -0.02 0.20 0.59 -0.48 0.00 0.00 0.00 175.76 176.05 1hib s LEU 29 N 0.34 -0.27 -0.18 0.00 -0.00 -0.83 -0.47 118.68 117.28 1hib s LEU 29 Ca -0.10 0.66 -0.29 0.00 -0.00 0.00 0.00 54.13 54.40 1hib s LEU 29 Cb -0.14 2.19 -0.03 0.00 -0.00 0.00 0.00 46.19 48.21 1hib s LEU 29 CO 0.03 -0.51 1.52 -2.28 -0.00 0.00 0.00 176.35 175.11 1hib s HIS 30 N -0.98 2.28 0.00 3.48 5.65 -1.26 -1.41 115.29 123.06 1hib s HIS 30 Ca -0.10 0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.80 1hib s HIS 30 Cb -0.02 -3.86 0.00 0.00 -1.18 0.00 0.00 32.58 27.52 1hib s HIS 30 CO 0.07 -2.79 0.00 1.28 -0.65 0.00 0.00 174.74 172.66 1hib n LEU 31 N 7.66 0.00 0.00 8.88 4.77 -1.26 -3.82 117.00 133.24 1hib n LEU 31 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1hib n LEU 31 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1hib n LEU 31 CO 0.62 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 178.35 1hib n GLN 32 N 0.00 0.00 -3.60 3.23 -0.06 -1.04 -4.29 117.38 111.62 1hib n GLN 32 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 1hib n GLN 32 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1hib n GLN 32 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1hib s GLY 33 N 0.00 2.90 0.00 1.69 0.00 -1.26 -4.09 107.32 106.56 1hib s GLY 33 Ca 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 44.72 41.08 1hib s GLY 33 CO 0.00 1.19 0.00 -1.06 0.00 0.00 0.00 173.10 173.23 1hib n GLN 34 N 2.84 0.00 -4.84 2.90 6.02 -1.26 -5.07 117.38 117.96 1hib n GLN 34 Ca 0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1hib n GLN 34 Cb 0.38 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.49 1hib n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1hib s ASP 35 N 2.00 3.64 0.71 1.08 1.11 -1.25 -5.08 116.67 118.89 1hib s ASP 35 Ca 0.00 -0.43 -0.16 0.00 0.18 0.00 0.00 52.55 52.14 1hib s ASP 35 Cb 0.00 -1.54 0.03 0.00 1.07 0.00 0.00 42.92 42.48 1hib s ASP 35 CO 0.00 0.14 1.24 -0.04 1.18 0.00 0.00 175.17 177.70 1hib s MET 36 N 0.47 2.20 0.01 8.23 -1.94 -1.26 -2.51 119.30 124.50 1hib s MET 36 Ca -0.12 1.90 0.01 0.00 -1.71 0.00 0.00 55.69 55.76 1hib s MET 36 Cb -0.16 -1.82 0.02 0.00 2.01 0.00 0.00 34.83 34.87 1hib s MET 36 CO 0.05 -1.82 0.02 -1.91 -0.01 0.00 0.00 175.02 171.35 1hib n GLU 37 N -2.50 -0.00 -1.64 2.03 4.07 -1.26 -4.72 120.64 116.61 1hib n GLU 37 Ca 0.15 0.01 -0.15 0.00 -0.06 0.00 0.00 57.16 57.10 1hib n GLU 37 Cb 0.49 -0.03 -0.07 0.00 -0.06 0.00 0.00 31.44 31.77 1hib n GLU 37 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1hib s GLN 38 N -3.19 1.69 0.43 5.31 1.11 -1.26 -4.98 119.66 118.76 1hib s GLN 38 Ca -0.00 0.26 -0.20 0.00 0.01 0.00 0.00 55.36 55.43 1hib s GLN 38 Cb 0.00 -4.85 -0.10 0.00 -1.01 0.00 0.00 33.01 27.05 1hib s GLN 38 CO 0.01 -4.43 0.93 1.14 0.01 0.00 0.00 175.29 172.95 1hib s GLN 39 N 8.57 4.18 0.46 2.91 -2.07 -1.26 -4.84 119.66 127.60 1hib s GLN 39 Ca 0.88 1.05 -0.24 0.00 -1.82 0.00 0.00 55.36 55.23 1hib s GLN 39 Cb -0.11 -2.21 -0.07 0.00 -1.09 0.00 0.00 33.01 29.53 1hib s GLN 39 CO 0.08 -0.03 1.30 0.08 -1.32 0.00 0.00 175.29 175.40 1hib s VAL 40 N -2.20 2.53 -0.31 3.63 1.01 -0.58 -4.99 120.40 119.49 1hib s VAL 40 Ca 0.61 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 1hib s VAL 40 Cb -0.09 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1hib s VAL 40 CO 0.15 0.03 0.21 -0.69 0.00 0.00 0.00 175.10 174.81 1hib s VAL 41 N -1.33 5.21 0.24 2.92 1.01 -1.26 -4.38 120.40 122.81 1hib s VAL 41 Ca 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1hib s VAL 41 Cb -0.37 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1hib s VAL 41 CO 0.46 0.10 0.47 -0.36 0.00 0.00 0.00 175.10 175.77 1hib s PHE 42 N 1.72 3.48 -0.27 5.22 0.08 0.10 -0.96 117.98 127.35 1hib s PHE 42 Ca 0.06 0.50 -0.00 0.00 0.12 0.00 0.00 56.93 57.61 1hib s PHE 42 Cb -0.17 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1hib s PHE 42 CO 0.10 0.28 -0.05 0.45 -0.10 0.00 0.00 175.22 175.90 1hib s SER 43 N -3.13 4.59 -0.26 1.36 0.15 0.13 -1.42 113.70 115.13 1hib s SER 43 Ca 0.41 -1.19 -0.09 0.00 0.70 0.00 0.00 55.95 55.78 1hib s SER 43 Cb -0.11 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1hib s SER 43 CO 0.29 -0.20 0.11 -0.32 1.20 0.00 0.00 173.24 174.32 1hib s MET 44 N 1.23 3.74 0.04 5.44 1.75 0.12 -0.38 119.30 131.25 1hib s MET 44 Ca -0.05 -0.43 0.03 0.00 -1.25 0.00 0.00 55.69 53.99 1hib s MET 44 Cb -0.19 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 1hib s MET 44 CO -0.03 -0.19 0.01 -1.12 -0.65 0.00 0.00 175.02 173.04 1hib s SER 45 N 1.66 5.13 -0.85 1.11 0.01 -0.54 -1.27 113.70 118.96 1hib s SER 45 Ca 0.07 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.09 1hib s SER 45 Cb -0.15 -1.30 0.18 0.00 0.21 0.00 0.00 66.02 64.95 1hib s SER 45 CO 0.06 0.23 0.90 -0.36 0.41 0.00 0.00 173.24 174.47 1hib s PHE 46 N -1.21 3.45 0.17 2.43 0.08 -0.58 -1.74 117.98 120.58 1hib s PHE 46 Ca 0.23 -1.67 -0.01 0.00 0.12 0.00 0.00 56.93 55.60 1hib s PHE 46 Cb -0.12 -4.01 0.04 0.00 -0.57 0.00 0.00 43.02 38.36 1hib s PHE 46 CO 0.15 -1.21 0.24 1.33 -0.10 0.00 0.00 175.22 175.63 1hib n VAL 47 N 4.70 0.00 -3.81 -0.44 0.24 -0.93 -4.68 118.33 113.41 1hib n VAL 47 Ca 0.16 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.34 61.79 1hib n VAL 47 Cb 0.47 -1.40 -0.05 0.00 -1.47 0.00 0.00 33.84 31.40 1hib n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1hib s GLN 48 N -3.12 3.53 0.00 7.34 2.00 -1.26 -4.62 119.66 123.53 1hib s GLN 48 Ca 0.15 -0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.35 1hib s GLN 48 Cb -0.01 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.72 1hib s GLN 48 CO 0.10 0.66 0.00 0.41 -0.50 0.00 0.00 175.29 175.96 1hib n GLY 49 N 1.08 -1.61 3.61 2.59 0.00 -1.26 -4.90 105.19 104.69 1hib n GLY 49 Ca -0.11 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1hib n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hib s GLU 50 N -1.99 3.35 -1.13 1.61 2.56 -1.26 -4.86 118.70 116.97 1hib s GLU 50 Ca 0.00 1.75 -0.05 0.00 0.00 0.00 0.00 54.97 56.67 1hib s GLU 50 Cb 0.00 -4.25 0.27 0.00 2.00 0.00 0.00 34.13 32.16 1hib s GLU 50 CO 0.00 -1.84 1.60 0.39 -0.56 0.00 0.00 175.26 174.85 1hib n GLU 51 N 8.42 4.30 -0.13 4.30 1.02 -1.26 -4.43 120.64 132.86 1hib n GLU 51 Ca 0.25 -4.30 -0.18 0.00 -0.02 0.00 0.00 57.16 52.91 1hib n GLU 51 Cb 0.46 -2.61 0.18 0.00 -0.02 0.00 0.00 31.44 29.44 1hib n GLU 51 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1hib n SER 52 N 1.91 -3.31 -0.09 1.62 7.64 -0.99 -4.86 113.62 115.53 1hib n SER 52 Ca 0.30 -0.52 -0.02 0.00 1.01 0.00 0.00 58.87 59.63 1hib n SER 52 Cb 0.34 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 1hib n SER 52 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hib n ASN 53 N -4.65 -0.22 -0.20 6.43 5.03 -1.26 -3.13 115.26 117.26 1hib n ASN 53 Ca 0.08 1.08 0.05 0.00 0.87 0.00 0.00 54.58 56.66 1hib n ASN 53 Cb 0.36 -0.40 0.09 0.00 -1.02 0.00 0.00 39.78 38.81 1hib n ASN 53 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1hib n ASP 54 N -3.42 2.43 -4.45 6.41 5.68 -1.26 -5.01 116.55 116.93 1hib n ASP 54 Ca 0.00 -2.45 -0.34 0.00 -0.50 0.00 0.00 54.79 51.50 1hib n ASP 54 Cb 0.05 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 39.68 1hib n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1hib s LYS 55 N -1.79 3.60 -0.08 0.11 1.02 -1.18 -1.21 119.74 120.20 1hib s LYS 55 Ca 0.18 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 1hib s LYS 55 Cb 0.14 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1hib s LYS 55 CO 0.04 0.13 -0.04 0.42 -0.92 0.00 0.00 175.35 174.99 1hib s ILE 56 N 0.65 0.63 0.11 2.17 -1.09 -0.81 -2.35 121.20 120.51 1hib s ILE 56 Ca -0.02 -0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.02 1hib s ILE 56 Cb -0.14 -0.71 -0.07 0.00 -1.58 0.00 0.00 42.46 39.96 1hib s ILE 56 CO 0.02 0.29 1.29 -2.84 -1.23 0.00 0.00 174.94 172.48 1hib s PRO 57 N 1.63 4.38 0.18 2.79 0.02 -1.26 -0.45 135.00 142.29 1hib s PRO 57 Ca 0.01 1.94 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1hib s PRO 57 Cb -0.13 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 1hib s PRO 57 CO -0.05 -0.32 0.06 0.14 -0.33 0.00 0.00 177.00 176.50 1hib s VAL 58 N 0.89 0.37 -0.01 3.83 -7.23 -0.28 -2.19 120.40 115.77 1hib s VAL 58 Ca 0.61 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1hib s VAL 58 Cb -0.34 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1hib s VAL 58 CO 0.31 -0.31 -0.19 0.00 -0.31 0.00 0.00 175.10 174.61 1hib s ALA 59 N -3.87 1.54 -0.28 1.32 0.00 -0.71 -0.67 121.76 119.09 1hib s ALA 59 Ca 0.29 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1hib s ALA 59 Cb 0.07 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1hib s ALA 59 CO 0.06 0.38 -0.01 -0.51 0.00 0.00 0.00 175.76 175.68 1hib s LEU 60 N -0.44 3.57 0.11 0.00 1.43 -1.26 -1.46 118.68 120.63 1hib s LEU 60 Ca 0.07 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 1hib s LEU 60 Cb -0.07 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1hib s LEU 60 CO -0.01 -0.19 -0.15 -0.83 0.23 0.00 0.00 176.35 175.41 1hib s GLY 61 N 1.34 1.73 -0.46 -3.19 0.00 0.49 -1.10 107.32 106.14 1hib s GLY 61 Ca -0.01 -1.32 -0.24 0.00 0.00 0.00 0.00 44.72 43.15 1hib s GLY 61 CO -0.02 -1.30 0.84 1.08 0.00 0.00 0.00 173.10 173.70 1hib s LEU 62 N -2.18 4.17 -0.20 0.66 1.02 -0.20 0.21 118.68 122.16 1hib s LEU 62 Ca 0.19 -0.05 -0.39 0.00 0.02 0.00 0.00 54.13 53.90 1hib s LEU 62 Cb -0.11 -3.03 -0.16 0.00 0.02 0.00 0.00 46.19 42.92 1hib s LEU 62 CO 0.11 -0.98 1.68 1.17 0.02 0.00 0.00 176.35 178.36 1hib n LYS 63 N 6.90 1.22 -1.42 1.70 4.81 -0.13 -1.52 118.16 129.72 1hib n LYS 63 Ca 0.03 0.45 -0.14 0.00 -0.87 0.00 0.00 58.31 57.78 1hib n LYS 63 Cb 0.48 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 33.34 1hib n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1hib n GLU 64 N 4.90 -1.08 -0.01 1.64 1.02 -1.26 -4.86 120.64 120.98 1hib n GLU 64 Ca 0.25 1.00 0.04 0.00 -0.02 0.00 0.00 57.16 58.43 1hib n GLU 64 Cb 0.15 -5.15 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 1hib n GLU 64 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hib n LYS 65 N -2.43 0.64 -2.52 3.49 4.76 -0.57 -4.98 118.16 116.55 1hib n LYS 65 Ca -0.14 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.10 1hib n LYS 65 Cb 0.49 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1hib n LYS 65 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1hib n ASN 66 N -1.95 -3.73 -4.36 4.39 3.02 -1.24 -4.98 115.26 106.41 1hib n ASN 66 Ca -0.04 -0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.08 1hib n ASN 66 Cb 0.37 -2.72 -0.15 0.00 -0.61 0.00 0.00 39.78 36.67 1hib n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hib s LEU 67 N -3.42 2.36 0.09 3.41 1.43 -1.26 -2.15 118.68 119.14 1hib s LEU 67 Ca 0.11 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1hib s LEU 67 Cb -0.05 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1hib s LEU 67 CO 0.14 0.29 -0.20 -0.31 0.23 0.00 0.00 176.35 176.49 1hib s TYR 68 N -0.42 1.76 0.25 0.29 1.51 -0.27 -1.04 117.35 119.43 1hib s TYR 68 Ca 0.04 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1hib s TYR 68 Cb -0.12 -0.98 -0.09 0.00 -0.11 0.00 0.00 41.96 40.66 1hib s TYR 68 CO 0.02 0.18 1.02 -0.51 -1.11 0.00 0.00 175.55 175.15 1hib s LEU 69 N -1.76 4.59 0.02 -1.29 1.43 -0.26 -0.58 118.68 120.84 1hib s LEU 69 Ca 0.06 2.10 -0.03 0.00 -1.03 0.00 0.00 54.13 55.23 1hib s LEU 69 Cb -0.10 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1hib s LEU 69 CO 0.04 -0.01 0.04 -0.94 0.23 0.00 0.00 176.35 175.71 1hib s SER 70 N -0.93 0.20 -0.20 2.29 1.04 -0.07 -4.43 113.70 111.61 1hib s SER 70 Ca 0.43 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 1hib s SER 70 Cb -0.29 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1hib s SER 70 CO 0.36 -0.40 -0.02 0.00 0.98 0.00 0.00 173.24 174.16 1hib s VAL 72 N 1.04 0.19 -0.17 0.00 -7.23 -0.67 -4.60 120.40 108.95 1hib s VAL 72 Ca 0.01 -1.60 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 1hib s VAL 72 Cb -0.14 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1hib s VAL 72 CO 0.01 -0.88 0.48 -0.22 -0.31 0.00 0.00 175.10 174.18 1hib s LEU 73 N -2.75 4.19 -0.09 1.32 2.96 -1.26 0.49 118.68 123.55 1hib s LEU 73 Ca 0.04 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1hib s LEU 73 Cb 0.06 -2.67 0.05 0.00 0.50 0.00 0.00 46.19 44.13 1hib s LEU 73 CO -0.09 -0.10 0.19 -0.54 -1.32 0.00 0.00 176.35 174.49 1hib s LYS 74 N 1.22 0.11 -1.46 1.98 1.02 -0.91 -4.78 119.74 116.92 1hib s LYS 74 Ca 0.24 0.52 -0.10 0.00 0.02 0.00 0.00 55.97 56.65 1hib s LYS 74 Cb -0.15 -0.17 0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1hib s LYS 74 CO 0.09 -0.22 0.91 -0.25 -0.92 0.00 0.00 175.35 174.96 1hib n ASP 75 N 4.70 -5.53 -2.26 2.83 9.92 -1.26 -1.87 116.55 123.09 1hib n ASP 75 Ca -0.17 -0.55 -0.19 0.00 -0.53 0.00 0.00 54.79 53.35 1hib n ASP 75 Cb 0.51 -4.41 -0.02 0.00 -0.64 0.00 0.00 41.12 36.56 1hib n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1hib n ASP 76 N -2.76 -5.42 -3.98 -2.24 8.00 -1.26 -4.98 116.55 103.90 1hib n ASP 76 Ca -0.01 0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.43 1hib n ASP 76 Cb 0.56 -4.58 -0.15 0.00 -0.02 0.00 0.00 41.12 36.94 1hib n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1hib s LYS 77 N -4.79 0.58 0.04 -1.24 2.47 -0.78 -5.11 119.74 110.92 1hib s LYS 77 Ca 0.00 -0.24 -0.30 0.00 -1.56 0.00 0.00 55.97 53.87 1hib s LYS 77 Cb 0.00 -0.56 -0.08 0.00 -1.46 0.00 0.00 37.83 35.72 1hib s LYS 77 CO 0.00 0.14 1.82 -2.14 0.16 0.00 0.00 175.35 175.33 1hib s PRO 78 N -0.09 4.16 -0.02 4.03 0.02 -1.26 -2.14 135.00 139.69 1hib s PRO 78 Ca 0.02 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.56 1hib s PRO 78 Cb -0.03 -3.90 -0.01 0.00 0.02 0.00 0.00 34.50 30.58 1hib s PRO 78 CO -0.00 -0.87 -0.14 0.99 -0.33 0.00 0.00 177.00 176.65 1hib s THR 79 N 3.67 1.12 -0.09 0.99 2.01 0.18 -4.70 115.64 118.82 1hib s THR 79 Ca 0.81 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1hib s THR 79 Cb -0.41 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1hib s THR 79 CO 0.36 0.32 0.86 -0.22 -0.69 0.00 0.00 174.62 175.25 1hib s LEU 80 N -0.22 4.27 0.16 4.42 2.96 -1.26 -1.67 118.68 127.34 1hib s LEU 80 Ca 0.03 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.31 1hib s LEU 80 Cb -0.07 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1hib s LEU 80 CO -0.00 -0.29 -0.01 0.00 -1.32 0.00 0.00 176.35 174.72 1hib s GLN 81 N 1.47 1.06 -0.27 1.98 -2.07 -0.10 -4.93 119.66 116.79 1hib s GLN 81 Ca 0.43 -1.49 -0.02 0.00 -1.82 0.00 0.00 55.36 52.45 1hib s GLN 81 Cb -0.18 -0.27 0.03 0.00 -1.09 0.00 0.00 33.01 31.50 1hib s GLN 81 CO 0.19 -0.10 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.52 1hib s LEU 82 N -3.15 3.50 0.14 2.60 1.02 -1.26 -0.89 118.68 120.64 1hib s LEU 82 Ca 0.21 -1.00 0.04 0.00 0.02 0.00 0.00 54.13 53.40 1hib s LEU 82 Cb 0.06 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1hib s LEU 82 CO 0.02 -0.18 0.16 -0.70 0.02 0.00 0.00 176.35 175.67 1hib s GLU 83 N 1.32 3.04 0.37 1.70 2.12 0.25 -4.86 118.70 122.64 1hib s GLU 83 Ca -0.02 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.31 1hib s GLU 83 Cb -0.18 -2.75 -0.10 0.00 0.26 0.00 0.00 34.13 31.36 1hib s GLU 83 CO -0.03 0.51 0.96 -1.12 -0.54 0.00 0.00 175.26 175.04 1hib s SER 84 N -2.98 7.15 0.09 -1.70 0.01 -1.26 -1.11 113.70 113.90 1hib s SER 84 Ca 0.32 1.81 -0.02 0.00 1.31 0.00 0.00 55.95 59.36 1hib s SER 84 Cb -0.11 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1hib s SER 84 CO 0.24 -0.21 0.04 0.68 0.41 0.00 0.00 173.24 174.41 1hib s VAL 85 N -1.80 0.17 -0.20 3.43 -7.23 -0.91 -4.93 120.40 108.92 1hib s VAL 85 Ca 0.55 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.77 1hib s VAL 85 Cb -0.16 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1hib s VAL 85 CO 0.21 -0.75 0.60 -0.62 -0.31 0.00 0.00 175.10 174.23 1hib s ASP 86 N -2.96 6.66 0.57 4.85 2.15 -1.26 -4.84 116.67 121.84 1hib s ASP 86 Ca 0.13 0.80 0.27 0.00 0.43 0.00 0.00 52.55 54.17 1hib s ASP 86 Cb 0.07 -2.34 1.59 0.00 -0.30 0.00 0.00 42.92 41.95 1hib s ASP 86 CO -0.06 -0.25 2.11 1.55 -0.17 0.00 0.00 175.17 178.35 1hib h PRO 87 N 7.49 0.00 -0.32 4.34 0.13 -1.93 -1.15 132.00 140.56 1hib h PRO 87 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1hib h PRO 87 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1hib h PRO 87 CO 0.77 0.00 -0.15 0.87 -0.23 0.00 0.00 178.00 179.26 1hib h LYS 88 N 0.00 0.67 0.00 0.86 1.57 -2.03 -3.29 116.57 114.35 1hib h LYS 88 Ca 0.09 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1hib h LYS 88 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1hib h LYS 88 CO -0.00 0.88 -0.75 -0.91 -0.57 0.00 0.00 179.45 178.10 1hib h ASN 89 N 0.43 0.00 -2.83 0.86 4.21 -1.67 -3.48 115.58 113.10 1hib h ASN 89 Ca 0.07 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.95 1hib h ASN 89 Cb 0.68 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 37.72 1hib h ASN 89 CO 0.05 0.17 -0.77 -0.31 -1.29 0.00 0.00 177.43 175.28 1hib s TYR 90 N -3.19 2.41 0.03 1.19 1.51 -0.56 -4.08 117.35 114.66 1hib s TYR 90 Ca 0.02 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 1hib s TYR 90 Cb 0.08 -1.14 -0.17 0.00 -0.11 0.00 0.00 41.96 40.61 1hib s TYR 90 CO 0.76 0.57 1.46 -1.00 -1.11 0.00 0.00 175.55 176.22 1hib h PRO 91 N 2.80 -0.18 0.00 -1.71 0.13 -1.90 -3.43 132.00 127.71 1hib h PRO 91 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hib h PRO 91 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hib h PRO 91 CO 0.53 0.07 0.00 1.17 -0.23 0.00 0.00 178.00 179.55 1hib n LYS 92 N -5.06 0.00 0.00 0.86 0.00 -1.26 -4.72 118.16 107.98 1hib n LYS 92 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 1hib n LYS 92 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.21 1hib n LYS 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1hib n LYS 93 N 8.39 0.00 -3.44 1.64 5.02 -1.26 -4.72 118.16 123.79 1hib n LYS 93 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1hib n LYS 93 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1hib n LYS 93 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1hib s LYS 94 N 0.00 0.26 0.42 1.97 -2.85 -1.26 -4.84 119.74 113.44 1hib s LYS 94 Ca 0.00 0.13 0.08 0.00 -1.00 0.00 0.00 55.97 55.18 1hib s LYS 94 Cb 0.00 -0.92 0.01 0.00 -2.06 0.00 0.00 37.83 34.86 1hib s LYS 94 CO 0.00 -0.78 0.56 0.00 0.10 0.00 0.00 175.35 175.23 1hib s MET 95 N 2.37 2.80 0.42 1.78 0.23 -1.26 -5.00 119.30 120.64 1hib s MET 95 Ca 0.09 -1.27 -0.26 0.00 -1.03 0.00 0.00 55.69 53.22 1hib s MET 95 Cb -0.15 -2.73 -0.09 0.00 -1.53 0.00 0.00 34.83 30.33 1hib s MET 95 CO -0.20 -0.27 1.41 -1.21 -2.03 0.00 0.00 175.02 172.72 1hib s GLU 96 N -4.34 3.88 0.27 3.16 8.01 -1.26 -4.87 118.70 123.55 1hib s GLU 96 Ca 0.55 2.38 -0.02 0.00 0.01 0.00 0.00 54.97 57.89 1hib s GLU 96 Cb -0.09 -2.77 0.59 0.00 -4.31 0.00 0.00 34.13 27.55 1hib s GLU 96 CO 0.33 -0.65 1.64 0.87 0.01 0.00 0.00 175.26 177.46 1hib h LYS 97 N 2.61 0.17 -0.11 1.61 1.57 -1.99 -0.37 116.57 120.06 1hib h LYS 97 Ca -0.50 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1hib h LYS 97 Cb 1.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1hib h LYS 97 CO 0.62 0.11 0.17 0.07 -0.57 0.00 0.00 179.45 179.86 1hib h ARG 98 N 0.18 0.00 0.00 3.15 0.11 -1.91 -1.37 114.38 114.53 1hib h ARG 98 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 1hib h ARG 98 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1hib h ARG 98 CO -0.65 0.00 -0.85 1.19 0.10 0.00 0.00 179.97 179.76 1hib n PHE 99 N -3.52 0.04 -3.08 4.08 3.72 -0.15 -0.11 117.46 118.44 1hib n PHE 99 Ca -0.00 0.01 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 1hib n PHE 99 Cb 0.27 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 1hib n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1hib s VAL 100 N -3.04 4.91 0.01 -4.37 1.01 -0.52 -4.38 120.40 114.03 1hib s VAL 100 Ca 0.08 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.57 1hib s VAL 100 Cb 0.16 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1hib s VAL 100 CO 0.80 0.34 -0.23 -0.36 0.00 0.00 0.00 175.10 175.65 1hib s PHE 101 N 0.23 2.05 -0.22 5.22 0.40 0.16 -1.47 117.98 124.35 1hib s PHE 101 Ca 0.36 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.11 1hib s PHE 101 Cb -0.19 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1hib s PHE 101 CO 0.19 0.03 0.54 -0.80 0.70 0.00 0.00 175.22 175.88 1hib s ASN 102 N -0.84 6.54 -0.43 1.36 0.01 0.13 -1.13 114.94 120.57 1hib s ASN 102 Ca 0.09 0.65 -0.22 0.00 -0.71 0.00 0.00 52.86 52.67 1hib s ASN 102 Cb -0.09 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.29 1hib s ASN 102 CO 0.00 -0.24 0.72 -0.75 -1.51 0.00 0.00 177.10 175.33 1hib s LYS 103 N 1.93 3.41 -0.27 -0.60 2.20 0.40 -1.11 119.74 125.71 1hib s LYS 103 Ca 0.24 -0.16 -0.10 0.00 -0.36 0.00 0.00 55.97 55.59 1hib s LYS 103 Cb -0.15 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.19 1hib s LYS 103 CO 0.09 -1.03 0.17 0.42 -0.36 0.00 0.00 175.35 174.64 1hib s ILE 104 N 3.07 5.16 0.08 5.43 1.01 -0.43 -1.92 121.20 133.60 1hib s ILE 104 Ca 0.27 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 1hib s ILE 104 Cb -0.13 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1hib s ILE 104 CO 0.20 0.28 0.41 -1.61 0.00 0.00 0.00 174.94 174.22 1hib s GLU 105 N 1.63 3.78 0.00 2.79 2.02 -0.35 -2.11 118.70 126.46 1hib s GLU 105 Ca 0.07 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1hib s GLU 105 Cb -0.16 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1hib s GLU 105 CO 0.09 0.56 0.00 -0.89 0.02 0.00 0.00 175.26 175.04 1hib n ILE 106 N 0.95 0.00 0.76 -1.63 5.41 -1.26 -4.91 119.36 118.67 1hib n ILE 106 Ca -0.08 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.78 1hib n ILE 106 Cb 0.52 -0.35 0.26 0.00 -0.71 0.00 0.00 39.64 39.36 1hib n ILE 106 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1hib n ASN 108 N -0.61 2.74 -4.76 4.38 4.05 -1.26 -5.00 115.26 114.81 1hib n ASN 108 Ca 0.00 -1.88 -0.25 0.00 0.45 0.00 0.00 54.58 52.90 1hib n ASN 108 Cb 0.00 -0.16 -0.07 0.00 1.23 0.00 0.00 39.78 40.79 1hib n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1hib s LYS 109 N -1.69 2.25 0.10 1.20 1.02 -1.26 -4.97 119.74 116.39 1hib s LYS 109 Ca 0.35 -1.84 0.08 0.00 0.02 0.00 0.00 55.97 54.58 1hib s LYS 109 Cb 0.21 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1hib s LYS 109 CO 0.30 -0.15 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.86 1hib s LEU 110 N -3.94 2.29 0.15 3.17 1.43 0.94 -4.46 118.68 118.27 1hib s LEU 110 Ca 0.40 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1hib s LEU 110 Cb 0.03 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1hib s LEU 110 CO 0.22 0.05 -0.21 -1.61 0.23 0.00 0.00 176.35 175.03 1hib s GLU 111 N -1.86 1.32 -0.24 1.70 2.02 -0.90 -0.13 118.70 120.61 1hib s GLU 111 Ca 0.06 -1.38 -0.01 0.00 0.02 0.00 0.00 54.97 53.66 1hib s GLU 111 Cb -0.10 -1.55 0.07 0.00 0.10 0.00 0.00 34.13 32.65 1hib s GLU 111 CO 0.04 0.34 0.01 -0.06 0.02 0.00 0.00 175.26 175.61 1hib s PHE 112 N -1.63 1.78 -0.10 1.61 0.08 -1.26 -1.31 117.98 117.15 1hib s PHE 112 Ca 0.15 -1.45 -0.08 0.00 0.12 0.00 0.00 56.93 55.67 1hib s PHE 112 Cb -0.08 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1hib s PHE 112 CO 0.07 -0.74 0.18 -2.00 -0.10 0.00 0.00 175.22 172.63 1hib s GLU 113 N 1.60 3.50 0.06 0.44 2.12 -0.26 -2.05 118.70 124.10 1hib s GLU 113 Ca -0.01 -0.06 -0.31 0.00 0.36 0.00 0.00 54.97 54.96 1hib s GLU 113 Cb -0.18 -3.19 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 1hib s GLU 113 CO -0.10 0.77 1.62 0.45 -0.54 0.00 0.00 175.26 177.45 1hib s SER 114 N -1.03 6.64 0.20 -1.70 0.15 0.93 0.18 113.70 119.06 1hib s SER 114 Ca 0.16 2.43 0.01 0.00 0.70 0.00 0.00 55.95 59.25 1hib s SER 114 Cb -0.13 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.74 1hib s SER 114 CO 0.05 -0.86 1.47 0.00 1.20 0.00 0.00 173.24 175.10 1hib h ALA 115 N 8.27 0.68 -0.04 5.45 0.00 -1.51 -3.02 119.26 129.09 1hib h ALA 115 Ca -0.42 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 53.80 1hib h ALA 115 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1hib h ALA 115 CO 0.93 0.77 -0.40 0.37 0.00 0.00 0.00 179.25 180.92 1hib h GLN 116 N 0.21 0.08 -2.65 0.00 5.75 -1.74 -3.37 115.11 113.40 1hib h GLN 116 Ca -0.02 -0.04 -0.60 0.00 -0.15 0.00 0.00 58.65 57.85 1hib h GLN 116 Cb 1.26 -0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.41 1hib h GLN 116 CO 0.11 0.47 -0.84 -0.06 -2.65 0.00 0.00 178.83 175.87 1hib s PHE 117 N -4.14 1.50 0.25 3.99 0.08 -1.15 -5.06 117.98 113.45 1hib s PHE 117 Ca -0.03 -2.29 -0.30 0.00 0.12 0.00 0.00 56.93 54.42 1hib s PHE 117 Cb 0.14 -1.35 -0.14 0.00 -0.57 0.00 0.00 43.02 41.10 1hib s PHE 117 CO 0.74 -0.78 1.15 -2.30 -0.10 0.00 0.00 175.22 173.93 1hib n PRO 118 N 3.20 1.47 -1.00 0.24 -0.02 -1.19 -1.13 135.00 136.57 1hib n PRO 118 Ca 0.19 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1hib n PRO 118 Cb 0.41 -2.00 -0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1hib n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1hib n ASN 119 N 1.62 -3.30 -4.68 2.55 5.03 -1.26 -5.02 115.26 110.20 1hib n ASN 119 Ca 0.11 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.22 1hib n ASN 119 Cb 0.30 -0.81 -0.09 0.00 -1.02 0.00 0.00 39.78 38.16 1hib n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1hib s TRP 120 N -1.90 3.27 0.13 3.10 0.52 -0.28 -4.52 118.94 119.26 1hib s TRP 120 Ca 0.00 0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.35 1hib s TRP 120 Cb 0.00 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1hib s TRP 120 CO 0.00 0.32 -0.18 0.71 0.02 0.00 0.00 176.95 177.82 1hib s TYR 121 N -0.20 1.69 0.03 -1.98 1.51 0.10 -0.05 117.35 118.45 1hib s TYR 121 Ca 0.07 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1hib s TYR 121 Cb -0.12 -0.89 -0.07 0.00 -0.11 0.00 0.00 41.96 40.77 1hib s TYR 121 CO 0.01 0.23 1.54 0.42 -1.11 0.00 0.00 175.55 176.64 1hib s ILE 122 N -1.65 3.38 0.06 2.71 1.01 -0.87 0.56 121.20 126.40 1hib s ILE 122 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1hib s ILE 122 Cb -0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1hib s ILE 122 CO 0.05 -0.01 -0.04 -0.44 0.00 0.00 0.00 174.94 174.50 1hib s SER 123 N 2.23 0.69 0.24 3.58 0.01 0.27 -4.54 113.70 116.18 1hib s SER 123 Ca 0.69 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 57.08 1hib s SER 123 Cb -0.35 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1hib s SER 123 CO 0.29 -0.50 -0.04 0.42 0.41 0.00 0.00 173.24 173.81 1hib s THR 124 N -3.42 1.33 0.65 1.44 -4.23 -0.76 -0.73 115.64 109.91 1hib s THR 124 Ca 0.05 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1hib s THR 124 Cb 0.04 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.66 1hib s THR 124 CO -0.07 -0.38 0.91 -0.44 -0.54 0.00 0.00 174.62 174.10 1hib s SER 125 N -3.34 4.78 0.06 3.99 0.01 -1.26 -1.09 113.70 116.86 1hib s SER 125 Ca 0.27 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 1hib s SER 125 Cb 0.04 -0.52 -0.22 0.00 0.21 0.00 0.00 66.02 65.53 1hib s SER 125 CO 0.09 -1.53 1.19 1.56 0.41 0.00 0.00 173.24 174.95 1hib h GLN 126 N -0.29 0.66 -7.08 12.44 1.08 -1.98 -3.43 115.11 116.51 1hib h GLN 126 Ca -0.40 -0.69 -0.49 0.00 -1.45 0.00 0.00 58.65 55.62 1hib h GLN 126 Cb 1.29 0.19 0.06 0.00 -0.05 0.00 0.00 27.48 28.96 1hib h GLN 126 CO 0.48 1.28 0.42 0.00 -0.95 0.00 0.00 178.83 180.06 1hib s ALA 127 N -3.36 2.76 0.66 3.87 0.00 -1.26 -5.04 121.76 119.39 1hib s ALA 127 Ca -0.11 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1hib s ALA 127 Cb 0.06 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1hib s ALA 127 CO 0.90 -0.65 1.05 -1.21 0.00 0.00 0.00 175.76 175.85 1hib s GLU 128 N -3.22 3.29 -1.50 0.00 0.41 -1.26 -4.11 118.70 112.30 1hib s GLU 128 Ca 0.71 0.75 -0.03 0.00 -0.41 0.00 0.00 54.97 55.98 1hib s GLU 128 Cb -0.22 -2.05 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 1hib s GLU 128 CO 0.26 -0.79 0.28 0.09 -0.49 0.00 0.00 175.26 174.61 1hib n ASN 129 N -2.90 -5.32 -4.77 -0.19 3.02 0.38 -5.00 115.26 100.49 1hib n ASN 129 Ca 0.06 -0.12 -0.28 0.00 -0.03 0.00 0.00 54.58 54.21 1hib n ASN 129 Cb 0.54 -4.38 -0.06 0.00 -0.61 0.00 0.00 39.78 35.27 1hib n ASN 129 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hib s MET 130 N -5.41 2.82 0.55 3.52 -1.94 -1.23 -4.83 119.30 112.78 1hib s MET 130 Ca 0.16 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 53.12 1hib s MET 130 Cb -0.08 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.07 1hib s MET 130 CO 0.20 0.52 1.31 -2.30 -0.01 0.00 0.00 175.02 174.74 1hib n PRO 131 N 0.08 1.58 -3.01 2.03 -0.02 -1.26 -0.88 135.00 133.53 1hib n PRO 131 Ca -0.09 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 1hib n PRO 131 Cb 0.53 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 1hib n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hib s VAL 132 N -1.31 4.51 0.33 -1.45 1.01 -0.54 -4.62 120.40 118.33 1hib s VAL 132 Ca 0.72 1.30 -0.14 0.00 0.00 0.00 0.00 61.98 63.87 1hib s VAL 132 Cb -0.42 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1hib s VAL 132 CO 0.49 -0.04 0.66 0.72 0.00 0.00 0.00 175.10 176.92 1hib s PHE 133 N -1.82 0.29 -0.25 5.22 -0.71 0.09 -4.81 117.98 115.99 1hib s PHE 133 Ca 0.52 -0.77 -0.16 0.00 -1.04 0.00 0.00 56.93 55.48 1hib s PHE 133 Cb -0.13 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1hib s PHE 133 CO 0.19 -1.31 0.41 -0.51 -1.34 0.00 0.00 175.22 172.65 1hib s LEU 134 N -3.06 4.08 0.07 -1.99 1.43 -1.26 0.95 118.68 118.90 1hib s LEU 134 Ca 0.19 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 1hib s LEU 134 Cb -0.04 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1hib s LEU 134 CO 0.12 -0.17 -0.17 -0.83 0.23 0.00 0.00 176.35 175.53 1hib s GLY 135 N 1.42 1.00 -0.61 -3.19 0.00 0.19 -4.87 107.32 101.27 1hib s GLY 135 Ca 0.17 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1hib s GLY 135 CO 0.09 -1.03 1.10 0.61 0.00 0.00 0.00 173.10 173.86 1hib n GLY 136 N 1.47 5.74 1.57 0.20 0.00 -1.26 0.02 105.19 112.92 1hib n GLY 136 Ca -0.19 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.07 1hib n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hib n THR 137 N -0.28 0.00 -1.37 2.61 -1.04 -1.26 -5.02 114.28 107.91 1hib n THR 137 Ca 0.35 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.23 1hib n THR 137 Cb 0.42 -0.66 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 1hib n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1hib n LYS 138 N -2.52 -1.50 -3.63 -2.82 4.81 -1.26 -4.86 118.16 106.38 1hib n LYS 138 Ca 0.00 0.94 -0.09 0.00 -0.87 0.00 0.00 58.31 58.29 1hib n LYS 138 Cb 0.12 -5.27 -0.07 0.00 0.02 0.00 0.00 35.03 29.83 1hib n LYS 138 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1hib s GLY 139 N -2.53 -0.14 0.00 3.14 0.00 -1.26 -5.04 107.32 101.49 1hib s GLY 139 Ca 0.00 2.67 0.00 0.00 0.00 0.00 0.00 44.72 47.39 1hib s GLY 139 CO 0.00 1.78 0.00 0.61 0.00 0.00 0.00 173.10 175.49 1hib n GLY 140 N 2.09 0.50 0.98 0.20 0.00 -1.26 -4.81 105.19 102.89 1hib n GLY 140 Ca -0.12 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.09 1hib n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hib n GLN 141 N 0.00 2.33 -3.99 1.61 0.00 -1.26 -4.94 117.38 111.14 1hib n GLN 141 Ca 0.00 -1.96 -0.36 0.00 0.00 0.00 0.00 57.00 54.67 1hib n GLN 141 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 28.69 1hib n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1hib s ASP 142 N -1.81 6.12 0.03 2.61 1.01 -1.26 -3.93 116.67 119.44 1hib s ASP 142 Ca 0.33 0.39 -0.23 0.00 0.71 0.00 0.00 52.55 53.75 1hib s ASP 142 Cb 0.21 -1.94 -0.06 0.00 1.01 0.00 0.00 42.92 42.15 1hib s ASP 142 CO 0.31 0.39 0.68 -0.63 0.21 0.00 0.00 175.17 176.13 1hib s ILE 143 N -0.94 4.80 0.00 0.77 1.09 -0.25 -4.68 121.20 121.99 1hib s ILE 143 Ca 0.14 1.43 0.00 0.00 -1.10 0.00 0.00 60.65 61.12 1hib s ILE 143 Cb -0.12 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.26 1hib s ILE 143 CO 0.03 0.40 0.28 0.35 -0.10 0.00 0.00 174.94 175.91 1hib n THR 144 N 2.67 0.00 -4.48 2.92 -2.24 -1.26 -1.82 114.28 110.06 1hib n THR 144 Ca -0.05 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 1hib n THR 144 Cb 0.51 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 1hib n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hib s ASP 145 N -0.30 4.92 0.24 3.42 1.01 -1.26 -4.33 116.67 120.38 1hib s ASP 145 Ca 0.00 0.03 -0.08 0.00 0.71 0.00 0.00 52.55 53.21 1hib s ASP 145 Cb 0.00 -1.40 -0.02 0.00 1.01 0.00 0.00 42.92 42.51 1hib s ASP 145 CO 0.00 0.34 0.35 -0.36 0.21 0.00 0.00 175.17 175.71 1hib s PHE 146 N -0.64 0.70 0.06 4.23 0.40 0.81 -0.95 117.98 122.59 1hib s PHE 146 Ca 0.10 -1.00 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 1hib s PHE 146 Cb -0.12 -0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.29 1hib s PHE 146 CO 0.02 -0.88 -0.12 0.95 0.70 0.00 0.00 175.22 175.89 1hib s THR 147 N -4.01 0.94 -0.06 0.64 -4.23 0.94 -0.04 115.64 109.82 1hib s THR 147 Ca 0.29 -1.22 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 1hib s THR 147 Cb 0.02 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1hib s THR 147 CO 0.11 -0.26 0.72 -0.04 -0.54 0.00 0.00 174.62 174.60 1hib s MET 148 N -1.67 4.44 0.02 3.99 -1.94 -1.26 -0.53 119.30 122.36 1hib s MET 148 Ca -0.04 0.91 0.06 0.00 -1.71 0.00 0.00 55.69 54.90 1hib s MET 148 Cb -0.10 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.26 1hib s MET 148 CO 0.02 0.05 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.27 1hib s GLN 149 N 0.83 2.24 0.26 2.03 -1.52 0.84 -4.93 119.66 119.41 1hib s GLN 149 Ca 0.38 -0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 52.63 1hib s GLN 149 Cb -0.18 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.25 1hib s GLN 149 CO 0.19 0.57 0.92 -0.06 -0.25 0.00 0.00 175.29 176.65 1hib s PHE 150 N -0.90 3.88 -0.05 0.91 0.40 -1.26 -0.39 117.98 120.57 1hib s PHE 150 Ca 0.14 1.83 -0.03 0.00 -0.60 0.00 0.00 56.93 58.28 1hib s PHE 150 Cb -0.11 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.47 1hib s PHE 150 CO 0.05 0.38 -0.07 1.55 0.70 0.00 0.00 175.22 177.83 1hib n VAL 151 N 1.18 0.33 -2.92 -0.44 3.14 -1.26 -4.84 118.33 113.52 1hib n VAL 151 Ca -0.01 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1hib n VAL 151 Cb 0.48 -1.58 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 1hib n VAL 151 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1hib n SER 152 N -3.26 -0.18 0.00 6.55 7.64 -1.26 -5.17 113.62 117.95 1hib n SER 152 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1hib n SER 152 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1hib n SER 152 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79