#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hms s GLN 8 N 0.00 2.93 -0.10 1.64 2.00 -1.26 -4.87 119.66 120.00 2hms s GLN 8 Ca 0.00 -0.46 0.03 0.00 -2.00 0.00 0.00 55.36 52.93 2hms s GLN 8 Cb 0.00 -2.76 0.01 0.00 0.80 0.00 0.00 33.01 31.06 2hms s GLN 8 CO 0.00 0.68 -0.19 -0.06 -0.50 0.00 0.00 175.29 175.23 2hms s PHE 9 N -0.92 2.16 -0.04 1.67 0.08 -1.24 -2.44 117.98 117.25 2hms s PHE 9 Ca 0.15 -0.92 0.06 0.00 0.12 0.00 0.00 56.93 56.33 2hms s PHE 9 Cb -0.11 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2hms s PHE 9 CO 0.04 -0.42 -0.22 0.00 -0.10 0.00 0.00 175.22 174.52 2hms s ALA 10 N 0.62 1.87 -0.13 5.36 0.00 -0.10 -1.72 121.76 127.65 2hms s ALA 10 Ca -0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 2hms s ALA 10 Cb -0.16 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.45 2hms s ALA 10 CO 0.04 0.40 -0.04 0.08 0.00 0.00 0.00 175.76 176.24 2hms s VAL 11 N -0.27 0.86 -0.33 0.00 1.01 0.10 -0.64 120.40 121.13 2hms s VAL 11 Ca 0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2hms s VAL 11 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2hms s VAL 11 CO 0.01 0.20 0.17 -0.63 0.00 0.00 0.00 175.10 174.85 2hms s ILE 12 N 1.76 4.52 0.00 2.22 1.01 -0.08 -0.75 121.20 129.87 2hms s ILE 12 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2hms s ILE 12 Cb -0.14 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2hms s ILE 12 CO -0.07 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2hms n GLY 13 N 4.97 1.08 2.33 6.18 0.00 -0.46 0.57 105.19 119.87 2hms n GLY 13 Ca -0.13 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2hms n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hms n LEU 14 N 0.00 6.13 0.00 0.99 4.77 -1.26 -3.66 117.00 123.97 2hms n LEU 14 Ca 0.00 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 2hms n LEU 14 Cb 0.00 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 2hms n LEU 14 CO 0.00 1.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.37 2hms n GLY 15 N 1.30 0.83 0.28 -0.72 0.00 -1.26 -4.35 105.19 101.26 2hms n GLY 15 Ca 0.46 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2hms n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hms h ARG 16 N 0.00 0.94 0.36 1.61 3.08 -1.93 -0.73 114.38 117.71 2hms h ARG 16 Ca 0.00 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 2hms h ARG 16 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2hms h ARG 16 CO 0.00 0.90 -0.17 0.35 -1.07 0.00 0.00 179.97 179.97 2hms h PHE 17 N 0.84 -0.45 -0.79 3.04 3.57 -1.91 -2.51 116.94 118.74 2hms h PHE 17 Ca 0.18 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2hms h PHE 17 Cb 0.40 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2hms h PHE 17 CO 0.03 -0.28 0.52 0.78 -2.23 0.00 0.00 178.31 177.13 2hms h GLY 18 N -0.75 1.10 0.89 2.40 0.00 -1.67 -1.41 103.07 103.63 2hms h GLY 18 Ca -0.05 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2hms h GLY 18 CO 0.08 0.39 0.16 -1.33 0.00 0.00 0.00 176.54 175.83 2hms h GLY 19 N 1.04 0.40 0.99 4.60 0.00 -1.21 -0.58 103.07 108.31 2hms h GLY 19 Ca 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2hms h GLY 19 CO -0.07 0.10 0.48 0.23 0.00 0.00 0.00 176.54 177.27 2hms h SER 20 N 0.33 0.82 -0.58 0.19 0.87 -0.97 -1.80 113.55 112.40 2hms h SER 20 Ca 0.12 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2hms h SER 20 Cb 0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2hms h SER 20 CO -0.07 0.59 0.26 -0.29 -0.53 0.00 0.00 176.83 176.78 2hms h ILE 21 N 0.97 1.22 -0.65 2.23 -0.00 -0.71 -1.93 117.51 118.64 2hms h ILE 21 Ca 0.27 -0.65 -0.08 0.00 -0.00 0.00 0.00 64.86 64.40 2hms h ILE 21 Cb -0.09 0.56 -0.03 0.00 -0.00 0.00 0.00 36.82 37.26 2hms h ILE 21 CO -0.07 0.26 0.09 0.58 -0.00 0.00 0.00 178.15 179.01 2hms h VAL 22 N 0.80 1.26 -0.47 2.19 2.07 -0.78 -2.48 116.25 118.84 2hms h VAL 22 Ca 0.20 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 2hms h VAL 22 Cb 0.16 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2hms h VAL 22 CO -0.02 0.39 0.09 0.50 0.02 0.00 0.00 177.57 178.56 2hms h LYS 23 N 1.01 0.76 0.02 1.57 3.11 -1.17 -2.17 116.57 119.69 2hms h LYS 23 Ca 0.20 -0.19 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hms h LYS 23 Cb 0.46 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2hms h LYS 23 CO 0.02 0.76 -0.01 0.93 -2.81 0.00 0.00 179.45 178.34 2hms h GLU 24 N 0.63 -0.02 -0.97 1.90 4.39 -1.28 -0.21 114.58 119.02 2hms h GLU 24 Ca 0.14 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.02 2hms h GLU 24 Cb 0.36 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.91 2hms h GLU 24 CO 0.01 0.27 0.58 -0.07 -1.16 0.00 0.00 179.01 178.64 2hms h LEU 25 N -0.32 0.76 -0.39 1.33 3.38 -1.45 0.33 115.31 118.95 2hms h LEU 25 Ca -0.00 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2hms h LEU 25 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2hms h LEU 25 CO 0.00 0.30 -0.18 -0.74 0.09 0.00 0.00 178.44 177.92 2hms h HIS 26 N 0.77 0.93 0.00 1.13 2.76 -1.16 0.29 115.15 119.87 2hms h HIS 26 Ca 0.54 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 2hms h HIS 26 Cb 0.78 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 2hms h HIS 26 CO -0.02 0.98 -0.19 -0.09 -1.30 0.00 0.00 177.93 177.30 2hms h ARG 27 N 0.61 0.00 -0.31 5.26 2.43 0.10 0.76 114.38 123.24 2hms h ARG 27 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2hms h ARG 27 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2hms h ARG 27 CO 0.05 0.19 0.00 -1.33 -1.51 0.00 0.00 179.97 177.38 2hms n MET 28 N -3.96 1.77 -3.22 0.20 2.81 0.91 -4.92 117.12 110.71 2hms n MET 28 Ca -0.02 -1.19 -0.16 0.00 -1.81 0.00 0.00 57.70 54.52 2hms n MET 28 Cb 0.28 -1.28 0.06 0.00 -0.71 0.00 0.00 33.22 31.57 2hms n MET 28 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hms n GLY 29 N 1.05 -0.15 3.67 3.03 0.00 0.26 -5.04 105.19 108.01 2hms n GLY 29 Ca 0.12 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2hms n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hms s HIS 30 N -3.25 2.65 -0.11 1.61 3.76 0.07 -5.01 115.29 115.01 2hms s HIS 30 Ca 0.28 -0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 54.68 2hms s HIS 30 Cb -0.12 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 2hms s HIS 30 CO 0.54 0.49 0.44 -1.21 -0.85 0.00 0.00 174.74 174.14 2hms s GLU 31 N -3.74 4.28 0.02 1.40 2.02 -1.26 -4.34 118.70 117.08 2hms s GLU 31 Ca 0.34 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2hms s GLU 31 Cb -0.03 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 2hms s GLU 31 CO 0.21 0.23 -0.12 0.08 0.02 0.00 0.00 175.26 175.68 2hms s VAL 32 N 0.40 0.93 -0.36 2.63 1.01 -1.26 -3.64 120.40 120.11 2hms s VAL 32 Ca 0.24 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2hms s VAL 32 Cb -0.15 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.45 2hms s VAL 32 CO 0.09 0.07 0.14 -0.22 0.00 0.00 0.00 175.10 175.19 2hms s LEU 33 N -0.77 4.52 -0.28 3.92 0.20 -0.70 -1.79 118.68 123.78 2hms s LEU 33 Ca 0.02 -1.25 -0.11 0.00 0.69 0.00 0.00 54.13 53.48 2hms s LEU 33 Cb -0.06 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 2hms s LEU 33 CO 0.00 -0.37 0.19 0.00 -0.29 0.00 0.00 176.35 175.88 2hms s ALA 34 N 1.40 3.52 0.09 5.97 0.00 -0.94 0.03 121.76 131.83 2hms s ALA 34 Ca -0.00 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 50.97 2hms s ALA 34 Cb -0.20 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2hms s ALA 34 CO 0.02 -0.55 -0.25 0.14 0.00 0.00 0.00 175.76 175.13 2hms s VAL 35 N 1.76 2.33 -0.20 0.00 -7.23 0.07 -0.80 120.40 116.32 2hms s VAL 35 Ca 0.07 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 2hms s VAL 35 Cb -0.16 -1.99 0.11 0.00 0.56 0.00 0.00 36.38 34.90 2hms s VAL 35 CO 0.11 0.20 0.94 -0.62 -0.31 0.00 0.00 175.10 175.41 2hms s ASP 36 N -1.76 -0.47 0.02 4.85 3.68 -0.89 -1.35 116.67 120.75 2hms s ASP 36 Ca 0.14 0.71 -0.25 0.00 2.13 0.00 0.00 52.55 55.28 2hms s ASP 36 Cb -0.10 0.64 -0.14 0.00 -1.45 0.00 0.00 42.92 41.88 2hms s ASP 36 CO 0.05 -0.31 1.17 0.16 0.13 0.00 0.00 175.17 176.38 2hms h ILE 37 N 3.12 0.00 -3.17 4.11 3.07 -1.68 -1.91 117.51 121.05 2hms h ILE 37 Ca -0.24 -0.16 -0.54 0.00 1.55 0.00 0.00 64.86 65.47 2hms h ILE 37 Cb 1.16 0.00 -0.01 0.00 -0.27 0.00 0.00 36.82 37.70 2hms h ILE 37 CO 0.23 0.00 0.61 0.54 -1.05 0.00 0.00 178.15 178.48 2hms s ASN 38 N -3.89 7.10 0.00 2.16 2.20 -1.26 -4.33 114.94 116.93 2hms s ASN 38 Ca -0.13 1.86 0.05 0.00 -0.94 0.00 0.00 52.86 53.70 2hms s ASN 38 Cb 0.01 -2.57 0.22 0.00 -2.00 0.00 0.00 41.25 36.92 2hms s ASN 38 CO 0.39 -0.50 1.14 -1.84 -2.94 0.00 0.00 177.10 173.34 2hms n GLU 39 N 4.58 0.01 0.04 3.55 0.28 -1.26 -3.04 120.64 124.80 2hms n GLU 39 Ca 0.10 0.38 -0.03 0.00 -0.16 0.00 0.00 57.16 57.45 2hms n GLU 39 Cb 0.47 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 2hms n GLU 39 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2hms h GLU 40 N 0.00 -0.15 -0.25 3.44 4.39 -1.96 -2.07 114.58 117.99 2hms h GLU 40 Ca 0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2hms h GLU 40 Cb 0.08 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 2hms h GLU 40 CO 0.00 -0.10 -0.16 0.87 -1.16 0.00 0.00 179.01 178.46 2hms h LYS 41 N -0.16 -0.14 -0.80 2.33 6.56 -1.93 -1.80 116.57 120.63 2hms h LYS 41 Ca -0.01 0.01 0.23 0.00 -1.06 0.00 0.00 60.65 59.82 2hms h LYS 41 Cb 0.14 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.80 2hms h LYS 41 CO -0.02 -0.10 0.65 0.28 -2.06 0.00 0.00 179.45 178.21 2hms h VAL 42 N -0.15 0.43 0.00 0.50 2.07 -1.57 0.26 116.25 117.79 2hms h VAL 42 Ca 0.14 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.39 2hms h VAL 42 Cb 0.36 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2hms h VAL 42 CO -0.34 0.00 -1.68 0.59 0.02 0.00 0.00 177.57 176.16 2hms n ASN 43 N -4.01 0.83 0.23 0.57 3.02 -0.76 -3.09 115.26 112.05 2hms n ASN 43 Ca 0.16 0.39 0.16 0.00 -0.03 0.00 0.00 54.58 55.26 2hms n ASN 43 Cb 0.94 0.03 0.64 0.00 -0.61 0.00 0.00 39.78 40.77 2hms n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hms h ALA 44 N 1.08 1.00 -0.12 5.41 0.00 0.26 -2.73 119.26 124.17 2hms h ALA 44 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2hms h ALA 44 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2hms h ALA 44 CO 0.07 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.98 2hms n TYR 45 N -2.78 0.16 -0.17 0.00 4.02 -0.65 -4.67 117.16 113.07 2hms n TYR 45 Ca 0.01 -0.33 -0.02 0.00 -0.01 0.00 0.00 57.90 57.54 2hms n TYR 45 Cb 0.27 -0.03 0.07 0.00 -0.02 0.00 0.00 39.34 39.63 2hms n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hms h ALA 46 N 1.06 0.63 -0.17 -0.72 0.00 -1.41 -1.63 119.26 117.03 2hms h ALA 46 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2hms h ALA 46 Cb 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hms h ALA 46 CO 0.00 -0.23 -0.53 0.66 0.00 0.00 0.00 179.25 179.15 2hms h SER 47 N 0.35 0.54 -0.14 0.00 4.64 -1.83 -3.10 113.55 114.00 2hms h SER 47 Ca 0.25 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2hms h SER 47 Cb 0.29 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2hms h SER 47 CO -0.27 0.97 0.00 -1.22 -0.87 0.00 0.00 176.83 175.44 2hms n TYR 48 N -3.96 0.18 -4.32 4.77 4.02 -0.87 -4.87 117.16 112.12 2hms n TYR 48 Ca -0.03 -0.09 -0.17 0.00 -0.01 0.00 0.00 57.90 57.60 2hms n TYR 48 Cb 0.59 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.81 2hms n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hms s ALA 49 N -1.82 1.75 -0.46 -0.72 0.00 -0.67 -4.48 121.76 115.37 2hms s ALA 49 Ca 0.19 -1.73 0.23 0.00 0.00 0.00 0.00 51.96 50.66 2hms s ALA 49 Cb 0.10 0.44 0.24 0.00 0.00 0.00 0.00 23.12 23.90 2hms s ALA 49 CO 0.15 -0.23 1.28 1.15 0.00 0.00 0.00 175.76 178.11 2hms h THR 50 N 2.52 0.00 -0.55 0.00 2.02 -1.62 -3.44 112.91 111.83 2hms h THR 50 Ca -0.38 -0.75 0.08 0.00 0.77 0.00 0.00 66.41 66.13 2hms h THR 50 Cb 1.22 1.39 -0.19 0.00 -1.74 0.00 0.00 68.15 68.83 2hms h THR 50 CO 0.64 0.00 -0.22 -2.28 0.37 0.00 0.00 175.52 174.03 2hms s HIS 51 N -3.24 -0.99 0.01 3.16 2.46 -0.93 -4.94 115.29 110.81 2hms s HIS 51 Ca 0.04 0.30 -0.22 0.00 0.47 0.00 0.00 55.06 55.65 2hms s HIS 51 Cb 0.11 0.18 -0.05 0.00 -0.13 0.00 0.00 32.58 32.68 2hms s HIS 51 CO 0.73 -0.64 0.65 0.00 -2.47 0.00 0.00 174.74 173.02 2hms s ALA 52 N 2.26 3.44 -0.02 1.58 0.00 -1.26 -2.21 121.76 125.55 2hms s ALA 52 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2hms s ALA 52 Cb -0.02 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2hms s ALA 52 CO -0.16 0.11 -0.03 0.08 0.00 0.00 0.00 175.76 175.77 2hms s VAL 53 N -0.07 0.28 -0.18 0.00 1.01 0.01 -4.97 120.40 116.49 2hms s VAL 53 Ca 0.34 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2hms s VAL 53 Cb -0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2hms s VAL 53 CO 0.19 0.12 0.70 -0.63 0.00 0.00 0.00 175.10 175.47 2hms s ILE 54 N 0.37 4.98 0.11 2.22 1.09 -1.26 -2.08 121.20 126.63 2hms s ILE 54 Ca -0.04 1.35 -0.26 0.00 -1.10 0.00 0.00 60.65 60.60 2hms s ILE 54 Cb -0.07 -4.01 0.08 0.00 -1.06 0.00 0.00 42.46 37.40 2hms s ILE 54 CO -0.01 0.10 1.06 0.00 -0.10 0.00 0.00 174.94 176.00 2hms s ALA 55 N 1.87 -1.82 -0.31 9.38 0.00 -0.72 -4.92 121.76 125.24 2hms s ALA 55 Ca 0.32 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2hms s ALA 55 Cb -0.16 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.61 2hms s ALA 55 CO 0.12 -1.05 0.00 1.21 0.00 0.00 0.00 175.76 176.04 2hms s ASN 56 N -3.01 4.77 0.66 0.00 3.84 -1.26 -1.88 114.94 118.05 2hms s ASN 56 Ca 0.14 -1.63 0.34 0.00 0.21 0.00 0.00 52.86 51.92 2hms s ASN 56 Cb 0.00 -1.66 1.87 0.00 -0.55 0.00 0.00 41.25 40.92 2hms s ASN 56 CO 0.01 -0.31 2.05 0.00 -2.79 0.00 0.00 177.10 176.07 2hms h ALA 57 N 7.84 1.23 -0.06 1.71 0.00 -1.97 -1.50 119.26 126.51 2hms h ALA 57 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2hms h ALA 57 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2hms h ALA 57 CO 0.53 -0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.80 2hms n THR 58 N -2.93 0.08 -4.02 0.00 -2.24 -1.26 -4.62 114.28 99.28 2hms n THR 58 Ca -0.02 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 2hms n THR 58 Cb 0.28 -0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 2hms n THR 58 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2hms s GLU 59 N -1.92 2.25 0.29 -0.78 0.41 -0.57 -4.97 118.70 113.40 2hms s GLU 59 Ca 0.24 -1.36 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 2hms s GLU 59 Cb 0.12 -2.99 0.70 0.00 -1.78 0.00 0.00 34.13 30.17 2hms s GLU 59 CO 0.18 -0.61 1.67 1.05 -0.49 0.00 0.00 175.26 177.07 2hms h GLU 60 N 7.83 0.29 -0.14 1.61 9.09 -1.86 -1.70 114.58 129.69 2hms h GLU 60 Ca -0.19 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.20 2hms h GLU 60 Cb 1.04 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.07 2hms h GLU 60 CO 0.49 0.19 0.08 -2.95 0.05 0.00 0.00 179.01 176.87 2hms h ASN 61 N 0.30 0.18 0.15 3.06 -1.07 -1.95 0.12 115.58 116.37 2hms h ASN 61 Ca 0.55 -0.07 -0.02 0.00 0.07 0.00 0.00 56.30 56.83 2hms h ASN 61 Cb 1.06 -0.04 -0.00 0.00 -2.07 0.00 0.00 38.32 37.27 2hms h ASN 61 CO -0.58 0.20 -0.08 -0.33 0.07 0.00 0.00 177.43 176.71 2hms h GLU 62 N 0.14 0.00 -0.01 4.14 5.08 -1.67 0.23 114.58 122.50 2hms h GLU 62 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2hms h GLU 62 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2hms h GLU 62 CO -0.01 0.08 -0.05 1.25 -1.00 0.00 0.00 179.01 179.28 2hms h LEU 63 N 0.00 0.06 -0.55 1.33 5.85 -0.43 -2.17 115.31 119.40 2hms h LEU 63 Ca -0.00 -0.65 -0.13 0.00 0.84 0.00 0.00 57.88 57.94 2hms h LEU 63 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2hms h LEU 63 CO 0.01 0.70 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.53 2hms h LEU 64 N -0.58 0.97 -1.73 2.25 4.07 -0.45 -1.69 115.31 118.14 2hms h LEU 64 Ca -0.00 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2hms h LEU 64 Cb 0.70 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2hms h LEU 64 CO 0.01 1.14 0.00 0.28 -1.08 0.00 0.00 178.44 178.79 2hms h SER 65 N 0.82 0.00 1.29 -0.43 0.02 -1.02 0.28 113.55 114.50 2hms h SER 65 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2hms h SER 65 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2hms h SER 65 CO 0.06 0.00 -0.25 0.25 -1.14 0.00 0.00 176.83 175.76 2hms h LEU 66 N 0.00 0.00 -0.36 5.07 5.85 -0.63 -3.47 115.31 121.77 2hms h LEU 66 Ca 0.00 -0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 2hms h LEU 66 Cb 0.24 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.32 2hms h LEU 66 CO 0.00 0.04 -0.35 0.61 -0.34 0.00 0.00 178.44 178.40 2hms n GLY 67 N 1.30 0.09 0.23 3.75 0.00 0.98 -4.94 105.19 106.60 2hms n GLY 67 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.93 2hms n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hms h ILE 68 N -1.14 0.63 0.00 -0.61 2.10 -1.73 -2.81 117.51 113.95 2hms h ILE 68 Ca -0.30 -1.05 0.00 0.00 1.08 0.00 0.00 64.86 64.59 2hms h ILE 68 Cb 1.20 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 2hms h ILE 68 CO 0.30 0.22 0.00 -2.11 -1.08 0.00 0.00 178.15 175.49 2hms n ARG 69 N -3.49 0.71 -0.49 2.19 1.85 -1.26 -2.37 116.66 113.80 2hms n ARG 69 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.94 2hms n ARG 69 Cb 0.40 -1.13 0.32 0.00 -1.05 0.00 0.00 32.46 31.00 2hms n ARG 69 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2hms n ASN 70 N -0.63 4.30 -4.43 2.89 3.02 -1.06 -4.94 115.26 114.42 2hms n ASN 70 Ca 0.05 -2.30 -0.30 0.00 -0.03 0.00 0.00 54.58 52.00 2hms n ASN 70 Cb 0.02 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.55 2hms n ASN 70 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hms s PHE 71 N -1.56 2.46 -0.13 3.10 0.40 -1.00 -4.89 117.98 116.36 2hms s PHE 71 Ca 0.47 -0.31 0.18 0.00 -0.60 0.00 0.00 56.93 56.67 2hms s PHE 71 Cb 0.29 -1.39 -0.17 0.00 0.51 0.00 0.00 43.02 42.26 2hms s PHE 71 CO 0.26 0.27 0.67 -1.91 0.70 0.00 0.00 175.22 175.21 2hms n GLU 72 N 1.33 0.64 -3.84 0.44 2.13 -1.21 -4.53 120.64 115.59 2hms n GLU 72 Ca -0.16 0.13 -0.27 0.00 0.66 0.00 0.00 57.16 57.52 2hms n GLU 72 Cb 0.52 -1.73 -0.17 0.00 0.27 0.00 0.00 31.44 30.34 2hms n GLU 72 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2hms s TYR 73 N -2.96 1.32 -0.20 4.31 1.51 -1.02 -1.41 117.35 118.90 2hms s TYR 73 Ca -0.05 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 2hms s TYR 73 Cb 0.09 -1.14 0.04 0.00 -0.11 0.00 0.00 41.96 40.84 2hms s TYR 73 CO 0.83 -0.53 -0.14 0.08 -1.11 0.00 0.00 175.55 174.68 2hms s VAL 74 N 1.76 1.88 -0.29 0.71 1.01 -0.04 -0.93 120.40 124.50 2hms s VAL 74 Ca 0.02 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 2hms s VAL 74 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2hms s VAL 74 CO -0.07 0.27 0.34 -0.63 0.00 0.00 0.00 175.10 175.01 2hms s ILE 75 N 1.31 5.20 -0.46 2.22 1.09 0.19 -1.79 121.20 128.94 2hms s ILE 75 Ca -0.00 0.35 -0.20 0.00 -1.10 0.00 0.00 60.65 59.70 2hms s ILE 75 Cb -0.16 -3.70 0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2hms s ILE 75 CO -0.09 0.10 0.63 -0.69 -0.10 0.00 0.00 174.94 174.79 2hms s VAL 76 N 2.00 4.85 -0.26 2.92 1.01 0.32 -0.90 120.40 130.34 2hms s VAL 76 Ca 0.13 -0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.12 2hms s VAL 76 Cb -0.16 -4.23 0.55 0.00 0.00 0.00 0.00 36.38 32.54 2hms s VAL 76 CO 0.11 -0.67 1.51 0.00 0.00 0.00 0.00 175.10 176.05 2hms n ALA 77 N 6.23 3.84 -2.29 5.51 0.00 0.19 -1.42 120.51 132.57 2hms n ALA 77 Ca -0.04 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.31 2hms n ALA 77 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 2hms n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hms s ILE 78 N -3.04 3.84 0.00 0.00 1.01 -1.22 -4.59 121.20 117.20 2hms s ILE 78 Ca 0.45 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.49 2hms s ILE 78 Cb 0.39 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2hms s ILE 78 CO 0.06 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2hms n GLY 79 N 2.93 -0.18 0.38 6.18 0.00 -1.26 -4.78 105.19 108.47 2hms n GLY 79 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2hms n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hms n ALA 80 N -2.05 -0.28 -2.26 4.61 0.00 -1.26 -3.82 120.51 115.45 2hms n ALA 80 Ca 0.00 0.91 -0.33 0.00 0.00 0.00 0.00 53.44 54.02 2hms n ALA 80 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 2hms n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2hms s ASN 81 N -5.39 5.70 0.28 0.00 3.84 -1.26 -4.83 114.94 113.28 2hms s ASN 81 Ca -0.13 -1.07 -0.03 0.00 0.21 0.00 0.00 52.86 51.84 2hms s ASN 81 Cb 0.17 -2.57 0.39 0.00 -0.55 0.00 0.00 41.25 38.69 2hms s ASN 81 CO 0.66 -2.25 1.94 0.40 -2.79 0.00 0.00 177.10 175.06 2hms h ILE 82 N 6.98 1.20 -0.00 -5.21 2.04 -1.93 -1.07 117.51 119.52 2hms h ILE 82 Ca 0.15 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2hms h ILE 82 Cb 1.00 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2hms h ILE 82 CO 1.30 0.22 0.00 -0.61 0.00 0.00 0.00 178.15 179.06 2hms h GLN 83 N 1.20 0.00 -0.50 2.37 4.15 -1.93 0.18 115.11 120.58 2hms h GLN 83 Ca 0.35 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.79 2hms h GLN 83 Cb -0.07 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2hms h GLN 83 CO -0.09 0.16 0.29 0.00 -1.93 0.00 0.00 178.83 177.26 2hms h ALA 84 N 0.84 0.63 -0.03 3.38 0.00 -1.92 0.47 119.26 122.64 2hms h ALA 84 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2hms h ALA 84 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2hms h ALA 84 CO -0.00 -0.01 -0.16 1.03 0.00 0.00 0.00 179.25 180.11 2hms h SER 85 N 0.59 -0.48 -0.05 0.00 0.87 -0.95 0.21 113.55 113.74 2hms h SER 85 Ca 0.20 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2hms h SER 85 Cb 0.02 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2hms h SER 85 CO -0.09 -0.22 0.02 0.74 -0.53 0.00 0.00 176.83 176.75 2hms h THR 86 N -0.26 1.10 -0.70 2.23 2.02 -0.17 -2.09 112.91 115.04 2hms h THR 86 Ca 0.06 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.97 2hms h THR 86 Cb 0.34 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2hms h THR 86 CO -0.18 0.08 0.46 0.25 0.37 0.00 0.00 175.52 176.51 2hms h LEU 87 N -0.04 0.80 0.17 2.58 5.85 0.09 -1.61 115.31 123.16 2hms h LEU 87 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hms h LEU 87 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2hms h LEU 87 CO -0.00 0.58 -0.15 0.74 -0.34 0.00 0.00 178.44 179.27 2hms h THR 88 N 0.95 0.68 0.00 1.05 2.02 -0.43 -0.65 112.91 116.53 2hms h THR 88 Ca 0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2hms h THR 88 Cb -0.11 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2hms h THR 88 CO -0.06 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.68 2hms h THR 89 N -0.33 0.98 -0.12 3.16 1.03 -1.21 -0.90 112.91 115.52 2hms h THR 89 Ca -0.00 -0.56 -0.02 0.00 -0.01 0.00 0.00 66.41 65.82 2hms h THR 89 Cb 0.31 1.31 -0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2hms h THR 89 CO -0.02 0.15 -0.00 0.25 -0.01 0.00 0.00 175.52 175.89 2hms h LEU 90 N 0.00 0.21 -0.05 0.00 5.85 -0.74 -0.84 115.31 119.73 2hms h LEU 90 Ca -0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2hms h LEU 90 Cb 0.30 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2hms h LEU 90 CO 0.02 0.47 0.03 -0.07 -0.34 0.00 0.00 178.44 178.55 2hms h LEU 91 N -0.06 0.06 -0.82 2.25 3.38 -0.51 -2.51 115.31 117.10 2hms h LEU 91 Ca 0.03 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2hms h LEU 91 Cb 0.36 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 2hms h LEU 91 CO 0.01 0.05 0.41 -0.07 0.09 0.00 0.00 178.44 178.92 2hms h LEU 92 N 0.07 0.48 -1.46 1.67 3.38 -1.10 0.17 115.31 118.52 2hms h LEU 92 Ca 0.02 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2hms h LEU 92 Cb -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2hms h LEU 92 CO -0.00 0.21 0.37 0.50 0.09 0.00 0.00 178.44 179.61 2hms h LYS 93 N 0.60 0.72 -0.12 1.13 1.63 -0.74 -1.43 116.57 118.36 2hms h LYS 93 Ca 0.44 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 60.07 2hms h LYS 93 Cb 0.62 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2hms h LYS 93 CO -0.36 0.47 -0.42 0.93 -3.45 0.00 0.00 179.45 176.62 2hms h GLU 94 N 0.74 0.50 0.00 1.90 5.08 -0.38 -2.23 114.58 120.18 2hms h GLU 94 Ca 0.21 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2hms h GLU 94 Cb -0.05 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2hms h GLU 94 CO -0.05 1.00 0.00 1.28 -1.00 0.00 0.00 179.01 180.24 2hms n LEU 95 N -4.29 0.00 -2.58 1.33 7.99 0.06 -4.83 117.00 114.68 2hms n LEU 95 Ca -0.07 0.36 -0.13 0.00 -0.01 0.00 0.00 56.01 56.16 2hms n LEU 95 Cb 0.55 -0.36 0.06 0.00 -0.11 0.00 0.00 43.42 43.56 2hms n LEU 95 CO 0.45 -0.33 0.11 0.47 -1.51 0.00 0.00 177.39 176.58 2hms n ASP 96 N -1.36 -3.33 -4.71 -1.43 9.92 -0.60 -4.88 116.55 110.16 2hms n ASP 96 Ca 0.01 -0.39 -0.42 0.00 -0.53 0.00 0.00 54.79 53.46 2hms n ASP 96 Cb 0.02 -3.53 -0.03 0.00 -0.64 0.00 0.00 41.12 36.95 2hms n ASP 96 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2hms s ILE 97 N -3.23 3.92 0.19 0.53 -1.09 -1.02 -4.95 121.20 115.56 2hms s ILE 97 Ca 0.18 1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.86 2hms s ILE 97 Cb -0.08 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 2hms s ILE 97 CO 0.48 0.10 1.78 -0.65 -1.23 0.00 0.00 174.94 175.42 2hms h PRO 98 N 6.84 0.50 -3.66 2.79 0.11 -1.80 -3.41 132.00 133.37 2hms h PRO 98 Ca -0.41 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 2hms h PRO 98 Cb 1.21 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.82 2hms h PRO 98 CO 0.82 0.33 -0.77 -0.80 -0.21 0.00 0.00 178.00 177.37 2hms s ASN 99 N -5.48 2.73 -0.20 -2.05 -0.87 -0.50 -4.99 114.94 103.57 2hms s ASN 99 Ca -0.13 -0.70 0.01 0.00 -1.57 0.00 0.00 52.86 50.47 2hms s ASN 99 Cb 0.15 -0.62 0.03 0.00 -0.02 0.00 0.00 41.25 40.79 2hms s ASN 99 CO 0.74 -0.27 -0.18 -0.51 -2.57 0.00 0.00 177.10 174.31 2hms s ILE 100 N 1.84 2.10 -0.16 0.60 2.07 -1.26 -0.87 121.20 125.53 2hms s ILE 100 Ca -0.00 -1.06 -0.05 0.00 -1.41 0.00 0.00 60.65 58.13 2hms s ILE 100 Cb -0.16 -1.95 -0.03 0.00 0.13 0.00 0.00 42.46 40.45 2hms s ILE 100 CO -0.07 0.43 0.00 0.26 -1.91 0.00 0.00 174.94 173.65 2hms s TRP 101 N 1.26 3.12 -0.01 3.50 0.52 -0.74 -1.41 118.94 125.18 2hms s TRP 101 Ca 0.02 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.09 2hms s TRP 101 Cb -0.14 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 2hms s TRP 101 CO -0.11 0.08 -0.20 0.08 0.02 0.00 0.00 176.95 176.81 2hms s VAL 102 N 0.26 1.56 -0.10 4.03 1.01 0.24 -0.52 120.40 126.88 2hms s VAL 102 Ca -0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2hms s VAL 102 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2hms s VAL 102 CO 0.02 0.40 0.91 -0.75 0.00 0.00 0.00 175.10 175.68 2hms s LYS 103 N -0.58 4.41 -0.03 2.72 2.20 -0.51 -0.23 119.74 127.72 2hms s LYS 103 Ca 0.07 1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.88 2hms s LYS 103 Cb -0.08 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2hms s LYS 103 CO -0.00 -0.23 0.11 0.00 -0.36 0.00 0.00 175.35 174.87 2hms s ALA 104 N 1.74 3.72 -0.17 3.13 0.00 0.11 -4.87 121.76 125.41 2hms s ALA 104 Ca 0.45 -0.80 0.20 0.00 0.00 0.00 0.00 51.96 51.80 2hms s ALA 104 Cb -0.18 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 2hms s ALA 104 CO 0.18 0.69 0.88 1.04 0.00 0.00 0.00 175.76 178.55 2hms n GLN 105 N 1.29 0.62 -3.90 0.00 1.13 -1.26 -4.63 117.38 110.64 2hms n GLN 105 Ca -0.14 0.13 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 2hms n GLN 105 Cb 0.53 -1.79 0.02 0.00 0.11 0.00 0.00 30.24 29.11 2hms n GLN 105 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hms s ASN 106 N -5.46 0.01 0.18 1.08 2.20 -1.26 -5.02 114.94 106.68 2hms s ASN 106 Ca -0.02 -0.66 -0.13 0.00 -0.94 0.00 0.00 52.86 51.10 2hms s ASN 106 Cb 0.09 0.48 0.16 0.00 -2.00 0.00 0.00 41.25 39.99 2hms s ASN 106 CO 0.81 -0.96 1.74 0.22 -2.94 0.00 0.00 177.10 175.96 2hms h TYR 107 N 2.00 0.24 -0.34 1.54 3.20 -1.98 -0.38 116.97 121.25 2hms h TYR 107 Ca -0.27 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.46 2hms h TYR 107 Cb 1.22 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2hms h TYR 107 CO 1.42 0.06 -0.42 1.88 -1.64 0.00 0.00 178.16 179.46 2hms h TYR 108 N 0.30 1.03 -0.92 -3.82 0.05 -1.99 0.14 116.97 111.77 2hms h TYR 108 Ca 0.23 -0.32 0.03 0.00 0.05 0.00 0.00 58.73 58.72 2hms h TYR 108 Cb 0.26 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2hms h TYR 108 CO -0.18 1.13 0.60 1.25 -1.05 0.00 0.00 178.16 179.90 2hms h HIS 109 N 0.69 1.12 -0.63 4.88 2.76 -1.90 -0.85 115.15 121.23 2hms h HIS 109 Ca 0.05 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2hms h HIS 109 Cb 1.00 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2hms h HIS 109 CO 0.06 0.66 0.27 1.25 -1.30 0.00 0.00 177.93 178.86 2hms h HIS 110 N 1.17 0.94 0.29 5.26 -0.00 -0.59 -2.22 115.15 120.00 2hms h HIS 110 Ca 0.36 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 2hms h HIS 110 Cb -0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 2hms h HIS 110 CO -0.01 0.73 -0.30 -0.22 -0.00 0.00 0.00 177.93 178.13 2hms h LYS 111 N 0.87 -0.60 -0.30 5.26 3.11 0.68 -2.37 116.57 123.22 2hms h LYS 111 Ca 0.21 0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.05 2hms h LYS 111 Cb 0.18 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 2hms h LYS 111 CO -0.02 -0.40 0.01 -0.24 -2.81 0.00 0.00 179.45 175.99 2hms h VAL 112 N -0.63 1.17 -0.67 2.00 3.04 -1.36 -2.15 116.25 117.65 2hms h VAL 112 Ca -0.01 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2hms h VAL 112 Cb 0.57 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 2hms h VAL 112 CO -0.06 0.23 0.42 -0.07 -1.01 0.00 0.00 177.57 177.08 2hms h LEU 113 N 0.43 0.78 0.49 3.16 3.38 -1.13 0.39 115.31 122.81 2hms h LEU 113 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2hms h LEU 113 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hms h LEU 113 CO 0.01 0.58 -0.23 -0.08 0.09 0.00 0.00 178.44 178.80 2hms h GLU 114 N 0.91 -0.63 -0.74 1.13 4.81 -0.88 -0.23 114.58 118.94 2hms h GLU 114 Ca 0.24 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.60 2hms h GLU 114 Cb -0.08 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 2hms h GLU 114 CO -0.05 -0.34 0.40 0.87 -0.73 0.00 0.00 179.01 179.16 2hms h LYS 115 N -0.85 0.66 0.00 1.92 1.79 -1.02 0.78 116.57 119.85 2hms h LYS 115 Ca -0.07 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2hms h LYS 115 Cb 0.58 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2hms h LYS 115 CO 0.11 0.44 -0.06 0.82 -1.08 0.00 0.00 179.45 179.68 2hms h ILE 116 N 0.68 0.36 0.00 1.86 2.04 -0.17 -3.46 117.51 118.82 2hms h ILE 116 Ca 0.35 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2hms h ILE 116 Cb 0.33 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2hms h ILE 116 CO -0.24 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.57 2hms n GLY 117 N -0.82 1.53 3.76 5.37 0.00 0.27 -4.93 105.19 110.37 2hms n GLY 117 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2hms n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hms s ALA 118 N -2.00 3.11 -0.11 4.61 0.00 -0.15 -4.94 121.76 122.28 2hms s ALA 118 Ca 0.00 1.41 0.16 0.00 0.00 0.00 0.00 51.96 53.53 2hms s ALA 118 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 2hms s ALA 118 CO 0.00 -1.23 0.95 -0.44 0.00 0.00 0.00 175.76 175.04 2hms h ASP 119 N 2.08 0.00 -2.70 0.00 3.32 -1.57 -3.45 116.42 114.09 2hms h ASP 119 Ca -0.51 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 2hms h ASP 119 Cb 1.27 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.59 2hms h ASP 119 CO 0.60 0.61 -0.17 -0.60 -1.72 0.00 0.00 179.24 177.95 2hms s ARG 120 N -2.90 0.52 -0.20 3.56 3.52 -1.20 -5.00 118.95 117.25 2hms s ARG 120 Ca -0.02 1.14 -0.04 0.00 -0.13 0.00 0.00 55.73 56.68 2hms s ARG 120 Cb 0.08 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.78 2hms s ARG 120 CO 0.80 -0.19 -0.02 0.42 -0.81 0.00 0.00 175.30 175.50 2hms s ILE 121 N 2.11 3.74 -0.14 4.11 1.01 -1.26 -0.59 121.20 130.18 2hms s ILE 121 Ca -0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2hms s ILE 121 Cb -0.09 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2hms s ILE 121 CO -0.17 0.43 -0.08 -0.63 0.00 0.00 0.00 174.94 174.50 2hms s ILE 122 N 1.08 3.54 -0.72 2.92 1.01 0.68 -4.92 121.20 124.79 2hms s ILE 122 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2hms s ILE 122 Cb -0.14 -2.52 0.18 0.00 0.01 0.00 0.00 42.46 39.98 2hms s ILE 122 CO 0.01 0.51 0.54 -1.00 0.00 0.00 0.00 174.94 175.00 2hms s HIS 123 N 0.31 3.57 0.19 3.97 3.76 -1.26 -0.71 115.29 125.12 2hms s HIS 123 Ca -0.06 -3.02 -0.24 0.00 -0.15 0.00 0.00 55.06 51.58 2hms s HIS 123 Cb -0.15 -3.06 0.09 0.00 1.11 0.00 0.00 32.58 30.57 2hms s HIS 123 CO 0.04 -0.73 1.55 -1.35 -0.85 0.00 0.00 174.74 173.40 2hms h PRO 124 N 6.26 -0.04 -0.29 8.40 0.11 -1.96 0.10 132.00 144.58 2hms h PRO 124 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 2hms h PRO 124 Cb 0.85 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2hms h PRO 124 CO 0.76 -0.02 -0.41 1.49 -0.21 0.00 0.00 178.00 179.60 2hms h GLU 125 N -0.04 0.71 -0.04 1.05 4.81 -1.97 -1.50 114.58 117.61 2hms h GLU 125 Ca 0.25 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2hms h GLU 125 Cb 0.52 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2hms h GLU 125 CO -0.92 0.99 -0.05 0.87 -0.73 0.00 0.00 179.01 179.16 2hms h LYS 126 N 0.58 0.11 -0.71 1.92 1.57 -1.89 -2.22 116.57 115.93 2hms h LYS 126 Ca 0.05 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2hms h LYS 126 Cb 0.95 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 2hms h LYS 126 CO 0.09 0.60 0.42 -0.44 -0.57 0.00 0.00 179.45 179.55 2hms h ASP 127 N -0.36 0.67 -0.59 0.86 5.19 -0.81 -0.88 116.42 120.51 2hms h ASP 127 Ca 0.01 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 2hms h ASP 127 Cb 0.58 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 2hms h ASP 127 CO 0.01 0.45 0.29 0.24 -3.12 0.00 0.00 179.24 177.10 2hms h MET 128 N 0.80 0.88 -0.65 3.56 2.86 -1.29 -1.25 114.93 119.84 2hms h MET 128 Ca 0.30 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2hms h MET 128 Cb 0.11 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2hms h MET 128 CO -0.15 0.69 0.43 0.78 1.06 0.00 0.00 176.91 179.72 2hms h GLY 129 N 0.97 0.91 1.93 8.32 0.00 -0.53 0.67 103.07 115.34 2hms h GLY 129 Ca 0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2hms h GLY 129 CO -0.03 0.34 -0.59 -0.39 0.00 0.00 0.00 176.54 175.87 2hms h VAL 130 N 0.88 1.41 -0.19 4.60 -1.51 -0.90 -0.53 116.25 120.01 2hms h VAL 130 Ca 0.24 -2.00 -0.20 0.00 -1.23 0.00 0.00 66.70 63.51 2hms h VAL 130 Cb -0.10 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2hms h VAL 130 CO -0.05 0.58 -0.67 0.50 -1.23 0.00 0.00 177.57 176.70 2hms h LYS 131 N 0.05 0.73 -0.54 5.19 3.11 -0.66 -2.25 116.57 122.20 2hms h LYS 131 Ca -0.01 -0.54 -0.11 0.00 -2.81 0.00 0.00 60.65 57.19 2hms h LYS 131 Cb 1.06 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.36 2hms h LYS 131 CO 0.08 1.16 -0.08 0.82 -2.81 0.00 0.00 179.45 178.61 2hms h ILE 132 N 0.53 1.27 -0.49 2.00 1.08 0.62 -1.88 117.51 120.64 2hms h ILE 132 Ca -0.02 -1.23 -0.03 0.00 -0.39 0.00 0.00 64.86 63.19 2hms h ILE 132 Cb 1.28 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 2hms h ILE 132 CO 0.14 0.43 0.19 0.00 -0.69 0.00 0.00 178.15 178.22 2hms h ALA 133 N 0.93 1.41 -0.52 1.87 0.00 -1.04 -1.03 119.26 120.88 2hms h ALA 133 Ca 0.14 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2hms h ALA 133 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2hms h ALA 133 CO 0.04 0.45 -0.03 1.96 0.00 0.00 0.00 179.25 181.67 2hms h GLN 134 N 0.70 0.94 -0.40 0.00 4.20 -1.13 -2.24 115.11 117.17 2hms h GLN 134 Ca 0.17 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2hms h GLN 134 Cb 0.15 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2hms h GLN 134 CO -0.01 0.97 0.21 1.03 -0.67 0.00 0.00 178.83 180.36 2hms h SER 135 N 0.80 0.49 -0.09 1.46 0.87 -0.68 -1.70 113.55 114.70 2hms h SER 135 Ca 0.14 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 2hms h SER 135 Cb 0.57 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2hms h SER 135 CO 0.03 0.41 -0.35 -0.07 -0.53 0.00 0.00 176.83 176.32 2hms h LEU 136 N 0.56 0.62 -0.01 2.23 3.38 -0.64 -3.05 115.31 118.39 2hms h LEU 136 Ca 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2hms h LEU 136 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hms h LEU 136 CO -0.02 0.92 -0.00 0.28 0.09 0.00 0.00 178.44 179.70 2hms h SER 137 N 0.50 0.03 0.00 -0.43 0.02 -0.90 -3.01 113.55 109.75 2hms h SER 137 Ca 0.05 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2hms h SER 137 Cb 0.84 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2hms h SER 137 CO 0.07 0.41 0.00 0.47 -1.14 0.00 0.00 176.83 176.64 2hms n ASP 138 N -4.88 0.00 -3.17 3.07 9.92 -0.71 -2.69 116.55 118.09 2hms n ASP 138 Ca -0.08 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.98 2hms n ASP 138 Cb 0.21 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 2hms n ASP 138 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2hms n GLU 139 N -0.61 1.18 -0.55 -1.24 1.02 -1.14 -5.06 120.64 114.25 2hms n GLU 139 Ca 0.00 -3.53 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 2hms n GLU 139 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 2hms n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40