#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 3.91 -0.06 1.64 -0.21 -1.26 -4.70 119.66 118.98 2hms s GLN 8 Ca 0.00 0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.82 2hms s GLN 8 Cb 0.00 -3.21 -0.00 0.00 1.00 0.00 0.00 33.01 30.80 2hms s GLN 8 CO 0.00 0.69 -0.19 -0.06 -2.12 0.00 0.00 175.29 173.60 2hms s PHE 9 N -1.09 1.99 -0.10 0.91 0.08 -1.18 -3.39 117.98 115.19 2hms s PHE 9 Ca 0.24 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2hms s PHE 9 Cb -0.17 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2hms s PHE 9 CO 0.13 -0.23 -0.19 0.00 -0.10 0.00 0.00 175.22 174.83 2hms s ALA 10 N 0.12 1.89 -0.17 5.36 0.00 -0.62 -0.11 121.76 128.24 2hms s ALA 10 Ca -0.08 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2hms s ALA 10 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2hms s ALA 10 CO 0.04 0.11 -0.17 0.08 0.00 0.00 0.00 175.76 175.82 2hms s VAL 11 N 0.64 2.40 -0.26 0.00 1.01 0.06 -1.01 120.40 123.24 2hms s VAL 11 Ca -0.13 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2hms s VAL 11 Cb -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2hms s VAL 11 CO 0.03 0.52 0.06 -0.63 0.00 0.00 0.00 175.10 175.08 2hms s ILE 12 N 1.05 4.09 0.00 2.22 1.01 0.08 -1.51 121.20 128.14 2hms s ILE 12 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2hms s ILE 12 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2hms s ILE 12 CO -0.05 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2hms n GLY 13 N 4.89 0.30 2.31 6.18 0.00 -0.05 0.12 105.19 118.94 2hms n GLY 13 Ca -0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 6.07 0.00 0.99 4.77 -1.25 -3.84 117.00 123.73 2hms n LEU 14 Ca 0.00 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.24 2hms n LEU 14 Cb 0.00 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 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 1.38 0.83 0.22 -0.72 0.00 -1.26 -4.20 105.19 101.43 2hms n GLY 15 Ca 0.46 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.14 0.34 1.61 3.08 -1.95 0.22 114.38 117.54 2hms h ARG 16 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2hms h ARG 16 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2hms h ARG 16 CO 0.00 -0.09 -0.16 0.35 -1.07 0.00 0.00 179.97 178.99 2hms h PHE 17 N -0.15 -0.43 -0.25 3.04 3.57 -1.93 -2.48 116.94 118.32 2hms h PHE 17 Ca 0.14 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 2hms h PHE 17 Cb 0.36 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2hms h PHE 17 CO -0.34 -0.27 -0.11 0.78 -2.23 0.00 0.00 178.31 176.14 2hms h GLY 18 N -0.65 0.11 1.41 2.40 0.00 -1.66 -1.68 103.07 103.01 2hms h GLY 18 Ca -0.05 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2hms h GLY 18 CO 0.08 -0.13 0.40 -1.33 0.00 0.00 0.00 176.54 175.55 2hms h GLY 19 N -0.07 0.84 2.00 4.60 0.00 -0.70 -0.99 103.07 108.76 2hms h GLY 19 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2hms h GLY 19 CO -0.30 0.31 -0.36 0.23 0.00 0.00 0.00 176.54 176.42 2hms h SER 20 N 0.81 0.00 0.88 0.19 0.87 -0.86 -0.00 113.55 115.43 2hms h SER 20 Ca 0.22 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.55 2hms h SER 20 Cb -0.09 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2hms h SER 20 CO -0.05 0.36 -1.17 -0.29 -0.53 0.00 0.00 176.83 175.15 2hms h ILE 21 N 0.00 1.51 -0.36 2.23 2.10 -0.42 -2.97 117.51 119.61 2hms h ILE 21 Ca -0.00 -3.25 -0.07 0.00 1.08 0.00 0.00 64.86 62.61 2hms h ILE 21 Cb 0.70 2.75 -0.01 0.00 -1.09 0.00 0.00 36.82 39.16 2hms h ILE 21 CO 0.05 0.86 -0.06 0.58 -1.08 0.00 0.00 178.15 178.50 2hms h VAL 22 N 0.00 1.27 -0.86 2.19 2.07 -0.83 -2.13 116.25 117.96 2hms h VAL 22 Ca -0.08 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2hms h VAL 22 Cb 1.83 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 2hms h VAL 22 CO 0.12 0.36 0.55 0.11 0.02 0.00 0.00 177.57 178.73 2hms h LYS 23 N 0.47 1.15 -0.28 1.57 1.79 -1.06 -2.08 116.57 118.14 2hms h LYS 23 Ca 0.09 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.29 2hms h LYS 23 Cb 0.55 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2hms h LYS 23 CO 0.03 0.78 -0.57 0.93 -1.08 0.00 0.00 179.45 179.54 2hms h GLU 24 N 1.18 0.88 -0.73 3.15 4.39 -1.41 -1.55 114.58 120.48 2hms h GLU 24 Ca 0.31 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 2hms h GLU 24 Cb -0.10 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2hms h GLU 24 CO -0.06 1.21 0.33 -0.07 -1.16 0.00 0.00 179.01 179.25 2hms h LEU 25 N 0.66 0.98 0.58 1.33 3.38 -1.30 -2.07 115.31 118.86 2hms h LEU 25 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2hms h LEU 25 Cb 1.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2hms h LEU 25 CO 0.13 0.85 -0.33 -0.74 0.09 0.00 0.00 178.44 178.44 2hms h HIS 26 N 1.03 -0.86 -0.25 1.13 2.76 -1.30 -0.56 115.15 117.09 2hms h HIS 26 Ca 0.25 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 2hms h HIS 26 Cb 0.16 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2hms h HIS 26 CO 0.01 -0.51 0.47 -0.09 -1.30 0.00 0.00 177.93 176.51 2hms h ARG 27 N -0.85 0.00 -0.59 5.26 2.43 -0.98 0.79 114.38 120.44 2hms h ARG 27 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2hms h ARG 27 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2hms h ARG 27 CO 0.09 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.22 2hms n MET 28 N -3.28 3.71 -1.89 0.20 2.81 -0.81 -4.96 117.12 112.90 2hms n MET 28 Ca 0.04 -2.85 -0.13 0.00 -1.81 0.00 0.00 57.70 52.95 2hms n MET 28 Cb 0.59 -1.88 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.91 0.47 3.91 3.03 0.00 0.28 -5.03 105.19 108.75 2hms n GLY 29 Ca 0.25 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.58 3.48 0.20 1.61 3.76 -0.27 -5.01 115.29 116.47 2hms s HIS 30 Ca 0.00 0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 55.16 2hms s HIS 30 Cb 0.00 -2.02 -0.08 0.00 1.11 0.00 0.00 32.58 31.59 2hms s HIS 30 CO 0.00 0.26 0.98 -1.21 -0.85 0.00 0.00 174.74 173.92 2hms s GLU 31 N -3.38 4.76 -0.06 1.40 2.02 -1.26 -4.34 118.70 117.84 2hms s GLU 31 Ca 0.42 1.54 -0.03 0.00 0.02 0.00 0.00 54.97 56.91 2hms s GLU 31 Cb -0.11 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2hms s GLU 31 CO 0.29 0.35 0.14 0.08 0.02 0.00 0.00 175.26 176.14 2hms s VAL 32 N -0.74 -0.04 -0.43 2.63 1.01 -1.26 -3.09 120.40 118.49 2hms s VAL 32 Ca 0.44 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 2hms s VAL 32 Cb -0.26 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 35.97 2hms s VAL 32 CO 0.33 0.05 0.29 -0.22 0.00 0.00 0.00 175.10 175.55 2hms s LEU 33 N 0.87 5.25 0.07 3.92 0.20 0.84 -1.77 118.68 128.06 2hms s LEU 33 Ca -0.07 -1.39 -0.15 0.00 0.69 0.00 0.00 54.13 53.21 2hms s LEU 33 Cb -0.09 -2.05 -0.06 0.00 -0.43 0.00 0.00 46.19 43.56 2hms s LEU 33 CO -0.04 -0.55 0.49 0.00 -0.29 0.00 0.00 176.35 175.95 2hms s ALA 34 N 1.51 3.64 -0.06 5.97 0.00 0.47 -0.76 121.76 132.52 2hms s ALA 34 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 2hms s ALA 34 Cb -0.23 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.43 2hms s ALA 34 CO 0.04 0.46 0.18 0.54 0.00 0.00 0.00 175.76 176.99 2hms s VAL 35 N -1.24 0.01 0.19 0.00 0.11 -0.57 -0.93 120.40 117.97 2hms s VAL 35 Ca 0.30 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 2hms s VAL 35 Cb -0.17 -0.29 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2hms s VAL 35 CO 0.17 -0.05 0.62 -0.62 -3.33 0.00 0.00 175.10 171.90 2hms s ASP 36 N -0.08 -0.49 0.11 3.54 2.15 -0.91 -0.87 116.67 120.10 2hms s ASP 36 Ca -0.02 -0.14 -0.09 0.00 0.43 0.00 0.00 52.55 52.73 2hms s ASP 36 Cb -0.02 0.63 -0.14 0.00 -0.30 0.00 0.00 42.92 43.08 2hms s ASP 36 CO 0.00 -1.05 1.27 0.16 -0.17 0.00 0.00 175.17 175.38 2hms h ILE 37 N 2.01 1.34 -2.97 4.11 3.07 -1.82 0.33 117.51 123.58 2hms h ILE 37 Ca -0.31 -2.30 -0.65 0.00 1.55 0.00 0.00 64.86 63.15 2hms h ILE 37 Cb 1.30 2.33 -0.11 0.00 -0.27 0.00 0.00 36.82 40.07 2hms h ILE 37 CO 0.35 0.70 -0.52 0.54 -1.05 0.00 0.00 178.15 178.17 2hms s ASN 38 N -7.16 6.02 0.45 2.16 6.03 -1.26 -4.54 114.94 116.64 2hms s ASN 38 Ca -0.08 0.31 0.12 0.00 -1.03 0.00 0.00 52.86 52.18 2hms s ASN 38 Cb 0.08 -1.94 1.03 0.00 -3.03 0.00 0.00 41.25 37.39 2hms s ASN 38 CO 0.89 0.33 2.06 1.05 -2.03 0.00 0.00 177.10 179.40 2hms h GLU 39 N 5.55 0.34 -0.63 3.55 4.11 -1.99 -2.25 114.58 123.27 2hms h GLU 39 Ca -0.49 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.03 2hms h GLU 39 Cb 1.20 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 2hms h GLU 39 CO 0.62 0.23 0.19 1.05 0.07 0.00 0.00 179.01 181.17 2hms h GLU 40 N 0.35 0.33 0.26 1.06 9.09 -1.99 0.63 114.58 124.32 2hms h GLU 40 Ca 0.14 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.52 2hms h GLU 40 Cb 0.14 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 2hms h GLU 40 CO -0.03 0.22 -0.13 -0.22 0.05 0.00 0.00 179.01 178.90 2hms h LYS 41 N 0.34 -0.34 -0.65 1.06 1.63 -1.82 -2.31 116.57 114.48 2hms h LYS 41 Ca 0.33 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.27 2hms h LYS 41 Cb 0.46 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.08 2hms h LYS 41 CO -0.37 -0.02 0.18 0.28 -3.45 0.00 0.00 179.45 176.07 2hms h VAL 42 N -0.68 0.64 -0.26 2.00 2.07 -1.00 -2.36 116.25 116.65 2hms h VAL 42 Ca -0.04 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2hms h VAL 42 Cb 0.47 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2hms h VAL 42 CO 0.06 0.06 0.07 0.78 0.02 0.00 0.00 177.57 178.56 2hms h ASN 43 N 0.32 0.39 0.05 0.57 2.35 0.23 -2.63 115.58 116.86 2hms h ASN 43 Ca 0.35 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2hms h ASN 43 Cb 0.53 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2hms h ASN 43 CO -0.41 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 2hms n ALA 44 N -2.29 1.45 -0.18 -0.83 0.00 -0.87 -1.16 120.51 116.62 2hms n ALA 44 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2hms n ALA 44 Cb 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2hms n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hms n TYR 45 N -1.20 0.00 -0.22 0.00 4.02 -1.07 -4.74 117.16 113.95 2hms n TYR 45 Ca 0.02 -0.10 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 2hms n TYR 45 Cb 0.02 -0.01 0.10 0.00 -0.02 0.00 0.00 39.34 39.43 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 0.00 0.84 0.00 -0.72 0.00 -0.78 -1.16 119.26 117.44 2hms h ALA 46 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hms h ALA 46 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2hms h ALA 46 CO 0.00 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 2hms n SER 47 N -4.85 0.00 -0.82 0.00 3.41 -1.26 -3.09 113.62 107.02 2hms n SER 47 Ca 0.08 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2hms n SER 47 Cb 0.19 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.86 2hms n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hms n TYR 48 N -1.50 0.74 -3.83 7.33 4.02 -0.46 -5.00 117.16 118.45 2hms n TYR 48 Ca 0.05 -0.66 -0.11 0.00 -0.01 0.00 0.00 57.90 57.17 2hms n TYR 48 Cb 0.24 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.81 -0.43 0.39 -0.72 0.00 -1.07 -4.50 121.76 113.62 2hms s ALA 49 Ca 0.33 -0.16 0.25 0.00 0.00 0.00 0.00 51.96 52.39 2hms s ALA 49 Cb 0.23 0.22 1.32 0.00 0.00 0.00 0.00 23.12 24.89 2hms s ALA 49 CO 0.14 -0.32 2.03 0.00 0.00 0.00 0.00 175.76 177.61 2hms h THR 50 N 3.67 0.65 -2.13 0.00 1.03 -1.63 -3.43 112.91 111.06 2hms h THR 50 Ca -0.31 -0.64 -0.02 0.00 -0.01 0.00 0.00 66.41 65.43 2hms h THR 50 Cb 1.19 1.40 -0.22 0.00 -1.07 0.00 0.00 68.15 69.45 2hms h THR 50 CO 0.45 0.15 -0.01 -1.00 -0.01 0.00 0.00 175.52 175.10 2hms s HIS 51 N -4.18 -0.90 -0.28 0.00 3.76 -1.13 -5.03 115.29 107.53 2hms s HIS 51 Ca -0.03 1.91 0.02 0.00 -0.15 0.00 0.00 55.06 56.81 2hms s HIS 51 Cb 0.13 0.47 0.07 0.00 1.11 0.00 0.00 32.58 34.36 2hms s HIS 51 CO 0.61 -0.45 -0.04 0.00 -0.85 0.00 0.00 174.74 174.01 2hms s ALA 52 N 1.20 2.43 0.01 -1.40 0.00 -1.26 -0.40 121.76 122.35 2hms s ALA 52 Ca -0.07 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.06 2hms s ALA 52 Cb -0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2hms s ALA 52 CO -0.12 -1.36 -0.00 0.08 0.00 0.00 0.00 175.76 174.36 2hms s VAL 53 N 1.16 4.11 -0.18 0.00 1.01 -0.11 -4.91 120.40 121.48 2hms s VAL 53 Ca -0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 2hms s VAL 53 Cb -0.19 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2hms s VAL 53 CO -0.07 0.34 0.60 -0.63 0.00 0.00 0.00 175.10 175.34 2hms s ILE 54 N -1.11 5.06 0.02 2.22 1.01 -1.26 -2.15 121.20 124.99 2hms s ILE 54 Ca 0.20 1.14 -0.28 0.00 0.00 0.00 0.00 60.65 61.71 2hms s ILE 54 Cb -0.12 -3.92 0.10 0.00 0.01 0.00 0.00 42.46 38.53 2hms s ILE 54 CO 0.11 0.16 0.82 0.00 0.00 0.00 0.00 174.94 176.03 2hms s ALA 55 N 1.62 -1.77 -0.43 9.38 0.00 0.12 -4.91 121.76 125.76 2hms s ALA 55 Ca 0.28 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 2hms s ALA 55 Cb -0.16 0.46 0.10 0.00 0.00 0.00 0.00 23.12 23.52 2hms s ALA 55 CO 0.11 -0.68 0.26 1.21 0.00 0.00 0.00 175.76 176.66 2hms s ASN 56 N -2.44 5.53 0.41 0.00 2.47 -1.26 -2.55 114.94 117.10 2hms s ASN 56 Ca 0.03 -1.75 0.26 0.00 0.42 0.00 0.00 52.86 51.82 2hms s ASN 56 Cb -0.01 -1.94 1.42 0.00 -1.45 0.00 0.00 41.25 39.27 2hms s ASN 56 CO -0.09 -0.57 1.79 0.00 -3.72 0.00 0.00 177.10 174.50 2hms h ALA 57 N 8.31 1.04 0.00 1.71 0.00 -1.97 -0.99 119.26 127.37 2hms h ALA 57 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2hms h ALA 57 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hms h ALA 57 CO 0.76 -0.04 -0.10 1.79 0.00 0.00 0.00 179.25 181.66 2hms h THR 58 N 0.00 0.21 -3.60 0.00 1.35 -1.93 -3.42 112.91 105.53 2hms h THR 58 Ca 0.00 -1.00 -0.58 0.00 -0.55 0.00 0.00 66.41 64.28 2hms h THR 58 Cb 0.10 1.83 -0.09 0.00 -1.73 0.00 0.00 68.15 68.26 2hms h THR 58 CO 0.00 0.10 0.74 -1.61 -0.25 0.00 0.00 175.52 174.50 2hms s GLU 59 N -3.43 3.57 0.56 4.72 0.41 -0.38 -4.92 118.70 119.23 2hms s GLU 59 Ca 0.03 0.26 0.25 0.00 -0.41 0.00 0.00 54.97 55.11 2hms s GLU 59 Cb 0.08 -3.94 1.60 0.00 -1.78 0.00 0.00 34.13 30.09 2hms s GLU 59 CO 0.63 -1.35 2.20 1.05 -0.49 0.00 0.00 175.26 177.30 2hms h GLU 60 N 9.20 0.00 -0.03 1.61 9.09 -1.86 -1.54 114.58 131.05 2hms h GLU 60 Ca -0.24 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 58.97 2hms h GLU 60 Cb 1.07 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.18 2hms h GLU 60 CO 1.08 0.02 -0.76 -2.95 0.05 0.00 0.00 179.01 176.46 2hms h ASN 61 N 0.00 0.72 -0.21 3.06 -1.07 -1.95 -2.71 115.58 113.42 2hms h ASN 61 Ca -0.00 -0.72 -0.03 0.00 0.07 0.00 0.00 56.30 55.61 2hms h ASN 61 Cb 0.06 -0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 36.07 2hms h ASN 61 CO 0.00 1.34 0.05 -0.33 0.07 0.00 0.00 177.43 178.57 2hms h GLU 62 N 0.16 0.44 -0.41 4.14 5.08 -1.71 -1.57 114.58 120.70 2hms h GLU 62 Ca -0.09 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2hms h GLU 62 Cb 1.44 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2hms h GLU 62 CO 0.15 0.43 -0.13 1.25 -1.00 0.00 0.00 179.01 179.70 2hms h LEU 63 N 0.43 0.74 -0.46 1.33 5.85 -1.26 -2.83 115.31 119.12 2hms h LEU 63 Ca 0.10 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 2hms h LEU 63 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2hms h LEU 63 CO -0.00 0.89 -0.67 -0.07 -0.34 0.00 0.00 178.44 178.26 2hms h LEU 64 N 0.68 0.52 -1.25 2.25 3.38 -1.04 -3.01 115.31 116.83 2hms h LEU 64 Ca 0.11 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2hms h LEU 64 Cb 0.61 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2hms h LEU 64 CO 0.04 1.04 0.54 0.28 0.09 0.00 0.00 178.44 180.42 2hms h SER 65 N 0.32 0.82 0.48 -0.43 0.02 -1.08 0.20 113.55 113.87 2hms h SER 65 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2hms h SER 65 Cb 1.23 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2hms h SER 65 CO 0.12 0.54 0.00 0.18 -1.14 0.00 0.00 176.83 176.52 2hms n LEU 66 N -4.47 0.00 -3.70 5.07 4.32 -1.11 -4.86 117.00 112.25 2hms n LEU 66 Ca 0.12 0.32 -0.27 0.00 -0.02 0.00 0.00 56.01 56.15 2hms n LEU 66 Cb 0.18 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 2hms n LEU 66 CO 0.34 -0.08 0.12 0.61 -1.22 0.00 0.00 177.39 177.16 2hms n GLY 67 N 0.66 -0.51 0.33 -0.72 0.00 0.70 -4.81 105.19 100.85 2hms n GLY 67 Ca 0.10 0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.08 0.20 0.00 -0.61 -0.00 -1.74 -1.76 117.51 111.51 2hms h ILE 68 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.30 2hms h ILE 68 Cb 1.37 0.89 0.00 0.00 -0.00 0.00 0.00 36.82 39.07 2hms h ILE 68 CO 0.62 0.00 0.00 -1.14 -0.00 0.00 0.00 178.15 177.63 2hms n ARG 69 N -3.35 0.07 -0.09 2.19 0.63 -1.26 -2.13 116.66 112.73 2hms n ARG 69 Ca -0.01 0.36 0.07 0.00 -0.92 0.00 0.00 57.85 57.34 2hms n ARG 69 Cb 0.21 -1.65 0.25 0.00 0.45 0.00 0.00 32.46 31.72 2hms n ARG 69 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2hms n ASN 70 N -1.79 1.17 -4.63 6.15 3.02 -0.66 -4.85 115.26 113.67 2hms n ASN 70 Ca 0.02 -1.82 -0.34 0.00 -0.03 0.00 0.00 54.58 52.41 2hms n ASN 70 Cb 0.16 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.77 3.02 -0.00 3.10 0.40 -0.90 -4.94 117.98 116.89 2hms s PHE 71 Ca 0.22 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.68 2hms s PHE 71 Cb 0.12 -1.72 -0.25 0.00 0.51 0.00 0.00 43.02 41.68 2hms s PHE 71 CO 0.17 0.40 0.82 0.93 0.70 0.00 0.00 175.22 178.24 2hms h GLU 72 N 5.00 0.11 -4.65 0.44 5.08 -1.89 -3.42 114.58 115.25 2hms h GLU 72 Ca -0.49 -0.19 -0.61 0.00 -1.00 0.00 0.00 59.36 57.07 2hms h GLU 72 Cb 1.18 0.07 -0.36 0.00 0.50 0.00 0.00 28.75 30.14 2hms h GLU 72 CO 0.54 0.87 -0.82 0.71 -1.00 0.00 0.00 179.01 179.30 2hms s TYR 73 N -2.62 2.33 -0.13 4.33 1.51 -1.22 -1.00 117.35 120.55 2hms s TYR 73 Ca -0.07 -1.43 0.03 0.00 -1.01 0.00 0.00 57.07 54.59 2hms s TYR 73 Cb 0.08 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2hms s TYR 73 CO 0.83 -0.71 -0.22 0.08 -1.11 0.00 0.00 175.55 174.42 2hms s VAL 74 N 1.43 2.00 -0.24 0.71 1.01 -0.31 -1.58 120.40 123.42 2hms s VAL 74 Ca 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2hms s VAL 74 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2hms s VAL 74 CO -0.10 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 174.97 2hms s ILE 75 N 0.74 4.20 -0.39 2.22 1.09 -0.18 -1.14 121.20 127.73 2hms s ILE 75 Ca -0.09 -0.21 -0.20 0.00 -1.10 0.00 0.00 60.65 59.05 2hms s ILE 75 Cb -0.16 -2.96 0.01 0.00 -1.06 0.00 0.00 42.46 38.29 2hms s ILE 75 CO 0.00 0.35 0.62 -0.69 -0.10 0.00 0.00 174.94 175.12 2hms s VAL 76 N 1.57 4.88 -0.24 2.92 1.01 0.15 -0.74 120.40 129.95 2hms s VAL 76 Ca 0.06 0.31 0.12 0.00 0.00 0.00 0.00 61.98 62.48 2hms s VAL 76 Cb -0.15 -4.12 0.45 0.00 0.00 0.00 0.00 36.38 32.56 2hms s VAL 76 CO 0.03 -0.44 1.19 0.00 0.00 0.00 0.00 175.10 175.88 2hms n ALA 77 N 6.10 4.03 -1.38 5.51 0.00 0.12 -1.34 120.51 133.54 2hms n ALA 77 Ca -0.02 -3.37 -0.34 0.00 0.00 0.00 0.00 53.44 49.71 2hms n ALA 77 Cb 0.48 -0.44 0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 -3.66 2.62 0.00 0.00 -1.09 -1.24 -4.59 121.20 113.25 2hms s ILE 78 Ca 0.42 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2hms s ILE 78 Cb 0.38 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2hms s ILE 78 CO -0.02 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.12 2hms n GLY 79 N 0.07 0.52 0.31 6.18 0.00 -1.26 -4.91 105.19 106.10 2hms n GLY 79 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.00 0.05 -1.76 4.61 0.00 -1.26 -3.98 120.51 115.18 2hms n ALA 80 Ca 0.00 0.87 -0.19 0.00 0.00 0.00 0.00 53.44 54.12 2hms n ALA 80 Cb 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 -5.25 4.30 0.24 0.00 3.84 -1.26 -4.80 114.94 112.02 2hms s ASN 81 Ca -0.12 -0.38 -0.06 0.00 0.21 0.00 0.00 52.86 52.51 2hms s ASN 81 Cb 0.20 -2.56 0.31 0.00 -0.55 0.00 0.00 41.25 38.65 2hms s ASN 81 CO 0.62 -3.57 1.87 0.40 -2.79 0.00 0.00 177.10 173.63 2hms h ILE 82 N 7.37 1.10 -0.63 -5.21 2.04 -1.96 -2.14 117.51 118.09 2hms h ILE 82 Ca 0.05 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2hms h ILE 82 Cb 1.00 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2hms h ILE 82 CO 1.08 0.20 0.16 1.56 0.00 0.00 0.00 178.15 181.15 2hms h GLN 83 N 1.08 0.98 -0.79 2.37 7.50 -1.94 -1.95 115.11 122.36 2hms h GLN 83 Ca 0.37 -0.22 0.09 0.00 0.50 0.00 0.00 58.65 59.40 2hms h GLN 83 Cb 0.09 -0.14 -0.07 0.00 0.05 0.00 0.00 27.48 27.41 2hms h GLN 83 CO -0.15 0.87 0.45 0.00 -1.50 0.00 0.00 178.83 178.50 2hms h ALA 84 N 1.23 1.12 0.49 3.87 0.00 -1.79 0.44 119.26 124.61 2hms h ALA 84 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2hms h ALA 84 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hms h ALA 84 CO -0.00 0.08 -0.23 1.03 0.00 0.00 0.00 179.25 180.12 2hms h SER 85 N 0.76 -0.55 0.00 0.00 0.87 -1.03 -0.71 113.55 112.89 2hms h SER 85 Ca 0.38 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.81 2hms h SER 85 Cb 0.34 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2hms h SER 85 CO -0.24 -0.28 -0.23 0.00 -0.53 0.00 0.00 176.83 175.54 2hms h THR 86 N -0.81 1.25 -0.07 2.23 1.03 -1.07 -0.56 112.91 114.91 2hms h THR 86 Ca -0.07 -1.17 -0.00 0.00 -0.01 0.00 0.00 66.41 65.16 2hms h THR 86 Cb 0.57 1.35 -0.00 0.00 -1.07 0.00 0.00 68.15 68.99 2hms h THR 86 CO 0.11 0.37 0.02 0.25 -0.01 0.00 0.00 175.52 176.26 2hms h LEU 87 N 0.35 0.09 -0.35 0.00 5.85 -0.10 -0.08 115.31 121.07 2hms h LEU 87 Ca 0.06 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2hms h LEU 87 Cb 0.60 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2hms h LEU 87 CO 0.04 0.25 0.14 0.74 -0.34 0.00 0.00 178.44 179.27 2hms h THR 88 N -0.07 0.93 -0.77 1.05 2.02 -0.79 -1.06 112.91 114.23 2hms h THR 88 Ca 0.02 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.17 2hms h THR 88 Cb 0.19 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 2hms h THR 88 CO -0.00 0.06 0.44 0.74 0.37 0.00 0.00 175.52 177.13 2hms h THR 89 N 0.30 0.96 -0.21 3.16 2.02 -0.90 -1.60 112.91 116.64 2hms h THR 89 Ca 0.15 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2hms h THR 89 Cb 0.10 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2hms h THR 89 CO -0.14 0.14 0.10 0.25 0.37 0.00 0.00 175.52 176.25 2hms h LEU 90 N 0.79 0.27 0.36 2.58 5.85 -0.44 -2.50 115.31 122.21 2hms h LEU 90 Ca 0.35 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2hms h LEU 90 Cb 0.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2hms h LEU 90 CO -0.21 0.30 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.77 2hms h LEU 91 N 0.21 -0.97 0.00 2.25 3.38 -0.61 -2.23 115.31 117.34 2hms h LEU 91 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2hms h LEU 91 Cb 0.10 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2hms h LEU 91 CO -0.01 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.02 2hms n LEU 92 N -5.46 0.00 0.05 1.67 -0.00 -0.66 -1.38 117.00 111.22 2hms n LEU 92 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.03 2hms n LEU 92 Cb 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.82 2hms n LEU 92 CO 0.28 0.00 0.02 1.17 -0.00 0.00 0.00 177.39 178.86 2hms n LYS 93 N -0.96 0.40 0.01 1.47 3.00 -0.86 -3.05 118.16 118.16 2hms n LYS 93 Ca 0.15 0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.62 2hms n LYS 93 Cb 0.07 -1.67 0.34 0.00 0.00 0.00 0.00 35.03 33.77 2hms n LYS 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2hms n GLU 94 N -2.20 0.04 -0.24 1.64 1.02 -0.48 -3.17 120.64 117.26 2hms n GLU 94 Ca 0.01 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 2hms n GLU 94 Cb 0.48 -1.53 0.26 0.00 -0.02 0.00 0.00 31.44 30.63 2hms n GLU 94 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hms n LEU 95 N -1.59 3.31 -1.89 -4.62 4.32 -1.20 -4.95 117.00 110.38 2hms n LEU 95 Ca 0.06 -1.52 -0.19 0.00 -0.02 0.00 0.00 56.01 54.34 2hms n LEU 95 Cb 0.35 -0.31 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 2hms n LEU 95 CO 0.33 0.76 -0.22 0.47 -1.22 0.00 0.00 177.39 177.51 2hms n ASP 96 N 1.35 -5.35 -4.67 -1.43 9.92 -1.19 -4.92 116.55 110.27 2hms n ASP 96 Ca 0.20 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 54.18 2hms n ASP 96 Cb 0.56 -4.43 -0.03 0.00 -0.64 0.00 0.00 41.12 36.58 2hms n ASP 96 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2hms n ILE 97 N -3.50 0.69 -0.21 0.53 5.41 -1.17 -4.89 119.36 116.22 2hms n ILE 97 Ca -0.21 -0.12 0.02 0.00 1.00 0.00 0.00 62.75 63.44 2hms n ILE 97 Cb 0.65 -2.29 0.12 0.00 -0.71 0.00 0.00 39.64 37.42 2hms n ILE 97 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2hms h PRO 98 N 10.20 0.17 -3.96 0.38 0.11 -1.81 -3.41 132.00 133.68 2hms h PRO 98 Ca -0.49 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.16 2hms h PRO 98 Cb 1.24 -0.04 -0.36 0.00 0.11 0.00 0.00 31.00 31.95 2hms h PRO 98 CO 0.94 0.11 -0.78 -0.80 -0.21 0.00 0.00 178.00 177.27 2hms s ASN 99 N -5.24 1.51 -0.18 -2.05 -0.87 -0.17 -4.97 114.94 102.96 2hms s ASN 99 Ca -0.13 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 2hms s ASN 99 Cb 0.19 -0.55 0.04 0.00 -0.02 0.00 0.00 41.25 40.91 2hms s ASN 99 CO 0.74 -0.12 -0.09 0.27 -2.57 0.00 0.00 177.10 175.33 2hms s ILE 100 N 1.49 1.46 -0.12 0.60 -4.36 -1.26 -1.16 121.20 117.85 2hms s ILE 100 Ca -0.01 -0.83 -0.03 0.00 -0.26 0.00 0.00 60.65 59.52 2hms s ILE 100 Cb -0.13 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 2hms s ILE 100 CO -0.04 0.20 -0.01 0.26 0.24 0.00 0.00 174.94 175.59 2hms s TRP 101 N 1.49 3.10 0.03 1.37 0.52 -0.29 -1.27 118.94 123.89 2hms s TRP 101 Ca 0.00 -0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.16 2hms s TRP 101 Cb -0.15 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2hms s TRP 101 CO -0.08 0.25 -0.12 0.08 0.02 0.00 0.00 176.95 177.09 2hms s VAL 102 N -0.30 0.93 0.00 4.03 1.01 -0.07 0.29 120.40 126.30 2hms s VAL 102 Ca 0.06 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2hms s VAL 102 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2hms s VAL 102 CO 0.02 -0.01 0.80 -0.75 0.00 0.00 0.00 175.10 175.16 2hms s LYS 103 N -0.99 4.50 -0.20 2.72 2.20 -0.45 -0.22 119.74 127.29 2hms s LYS 103 Ca 0.00 1.09 -0.07 0.00 -0.36 0.00 0.00 55.97 56.64 2hms s LYS 103 Cb -0.07 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2hms s LYS 103 CO 0.01 0.14 0.06 0.00 -0.36 0.00 0.00 175.35 175.20 2hms s ALA 104 N 0.43 3.30 0.08 3.13 0.00 0.86 -4.89 121.76 124.67 2hms s ALA 104 Ca 0.41 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 2hms s ALA 104 Cb -0.20 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.88 2hms s ALA 104 CO 0.23 -0.02 1.41 1.96 0.00 0.00 0.00 175.76 179.34 2hms h GLN 105 N 7.16 0.55 0.00 0.00 1.08 -1.92 -3.43 115.11 118.55 2hms h GLN 105 Ca -0.36 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 2hms h GLN 105 Cb 1.17 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2hms h GLN 105 CO 0.65 0.85 0.00 0.27 -0.95 0.00 0.00 178.83 179.65 2hms n ASN 106 N -4.42 0.00 -0.04 1.46 0.23 -1.26 -5.05 115.26 106.18 2hms n ASN 106 Ca -0.04 -0.81 -0.10 0.00 -0.53 0.00 0.00 54.58 53.09 2hms n ASN 106 Cb 0.40 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.06 2hms n ASN 106 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2hms h TYR 107 N 0.81 0.24 0.00 -2.53 3.20 -2.00 -1.45 116.97 115.24 2hms h TYR 107 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2hms h TYR 107 Cb 0.00 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2hms h TYR 107 CO 0.00 0.18 -0.37 1.88 -1.64 0.00 0.00 178.16 178.20 2hms h TYR 108 N 0.23 0.00 -0.29 -3.82 0.05 -2.00 -2.52 116.97 108.63 2hms h TYR 108 Ca 0.07 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.69 2hms h TYR 108 Cb 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2hms h TYR 108 CO -0.06 0.37 -0.46 1.25 -1.05 0.00 0.00 178.16 178.22 2hms h HIS 109 N 0.00 0.93 -0.12 4.88 2.76 -1.92 -1.85 115.15 119.83 2hms h HIS 109 Ca -0.00 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 57.86 2hms h HIS 109 Cb 0.72 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 2hms h HIS 109 CO 0.00 1.08 0.06 1.25 -1.30 0.00 0.00 177.93 179.02 2hms h HIS 110 N 0.61 0.18 -0.73 5.26 -0.00 -0.92 -0.65 115.15 118.91 2hms h HIS 110 Ca 0.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2hms h HIS 110 Cb 1.03 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.35 2hms h HIS 110 CO 0.06 0.25 0.24 0.87 -0.00 0.00 0.00 177.93 179.35 2hms h LYS 111 N 0.06 1.12 0.56 5.26 1.57 -1.41 -0.22 116.57 123.52 2hms h LYS 111 Ca 0.04 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2hms h LYS 111 Cb 0.14 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.28 2hms h LYS 111 CO -0.00 0.94 -0.27 0.28 -0.57 0.00 0.00 179.45 179.82 2hms h VAL 112 N 1.08 0.43 -0.98 0.50 2.07 -1.20 -2.01 116.25 116.14 2hms h VAL 112 Ca 0.24 -0.11 0.20 0.00 0.82 0.00 0.00 66.70 67.85 2hms h VAL 112 Cb 0.28 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 2hms h VAL 112 CO -0.01 0.02 0.57 -0.07 0.02 0.00 0.00 177.57 178.10 2hms h LEU 113 N -0.83 0.70 -0.31 2.57 3.38 -0.92 0.30 115.31 120.20 2hms h LEU 113 Ca -0.08 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2hms h LEU 113 Cb 0.61 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2hms h LEU 113 CO 0.13 0.21 0.12 -0.08 0.09 0.00 0.00 178.44 178.91 2hms h GLU 114 N 0.68 0.26 0.00 1.13 4.81 -0.82 -1.60 114.58 119.03 2hms h GLU 114 Ca 0.58 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2hms h GLU 114 Cb 0.95 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2hms h GLU 114 CO -0.41 0.17 -0.64 0.87 -0.73 0.00 0.00 179.01 178.26 2hms h LYS 115 N 0.26 0.00 0.00 1.92 1.57 -0.12 -3.06 116.57 117.15 2hms h LYS 115 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2hms h LYS 115 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2hms h LYS 115 CO -0.13 0.64 -0.12 0.82 -0.57 0.00 0.00 179.45 180.10 2hms h ILE 116 N 0.00 0.68 0.00 1.86 1.08 -0.19 -3.46 117.51 117.47 2hms h ILE 116 Ca -0.01 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2hms h ILE 116 Cb 1.31 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 2hms h ILE 116 CO 0.08 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.27 2hms n GLY 117 N -0.82 1.51 3.76 5.37 0.00 -0.97 -4.94 105.19 109.10 2hms n GLY 117 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.61 -0.07 4.61 0.00 -0.64 -4.91 121.76 122.37 2hms s ALA 118 Ca 0.00 1.47 0.13 0.00 0.00 0.00 0.00 51.96 53.56 2hms s ALA 118 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2hms s ALA 118 CO 0.00 -0.91 1.30 -0.44 0.00 0.00 0.00 175.76 175.71 2hms h ASP 119 N 3.91 0.00 -3.42 0.00 3.32 -1.53 -3.46 116.42 115.24 2hms h ASP 119 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 2hms h ASP 119 Cb 1.23 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.55 2hms h ASP 119 CO 0.71 0.67 -0.10 -0.60 -1.72 0.00 0.00 179.24 178.20 2hms s ARG 120 N -2.87 0.60 -0.16 3.56 3.52 -1.09 -4.98 118.95 117.53 2hms s ARG 120 Ca 0.02 0.94 -0.01 0.00 -0.13 0.00 0.00 55.73 56.55 2hms s ARG 120 Cb 0.08 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.63 2hms s ARG 120 CO 0.78 -0.13 -0.13 0.42 -0.81 0.00 0.00 175.30 175.43 2hms s ILE 121 N 1.06 2.90 -0.08 4.11 1.01 -1.26 -0.89 121.20 128.06 2hms s ILE 121 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2hms s ILE 121 Cb -0.06 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2hms s ILE 121 CO -0.10 0.50 -0.09 -0.63 0.00 0.00 0.00 174.94 174.62 2hms s ILE 122 N 0.77 3.49 -0.71 2.92 1.09 0.69 -4.95 121.20 124.51 2hms s ILE 122 Ca -0.05 -0.55 0.05 0.00 -1.10 0.00 0.00 60.65 59.00 2hms s ILE 122 Cb -0.15 -2.43 0.17 0.00 -1.06 0.00 0.00 42.46 38.99 2hms s ILE 122 CO 0.01 0.58 0.50 1.41 -0.10 0.00 0.00 174.94 177.34 2hms n HIS 123 N 2.47 3.24 -0.24 3.97 8.25 -1.26 -0.10 115.22 131.55 2hms n HIS 123 Ca -0.18 -4.31 -0.06 0.00 -0.26 0.00 0.00 57.72 52.91 2hms n HIS 123 Cb 0.53 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 2hms n HIS 123 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2hms n PRO 124 N 1.94 -0.25 0.10 -0.41 -0.02 -1.26 0.19 135.00 135.28 2hms n PRO 124 Ca 0.20 1.03 -0.12 0.00 -2.02 0.00 0.00 63.50 62.59 2hms n PRO 124 Cb 0.35 -1.52 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 2hms n PRO 124 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hms h GLU 125 N 0.00 -0.25 -0.29 -0.52 4.57 -1.96 -0.39 114.58 115.74 2hms h GLU 125 Ca 0.09 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2hms h GLU 125 Cb 0.23 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2hms h GLU 125 CO -0.54 -0.17 0.02 0.87 -1.18 0.00 0.00 179.01 178.01 2hms h LYS 126 N -0.26 0.50 -0.26 1.92 1.79 -1.83 -0.39 116.57 118.04 2hms h LYS 126 Ca 0.01 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2hms h LYS 126 Cb 0.26 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2hms h LYS 126 CO -0.04 0.63 0.13 -0.44 -1.08 0.00 0.00 179.45 178.65 2hms h ASP 127 N 0.30 0.33 0.04 0.86 3.32 -0.22 -0.69 116.42 120.36 2hms h ASP 127 Ca 0.08 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2hms h ASP 127 Cb 0.39 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2hms h ASP 127 CO 0.01 0.35 -0.12 -0.03 -1.72 0.00 0.00 179.24 177.73 2hms h MET 128 N 0.29 0.20 -0.97 3.56 4.05 -1.06 -2.38 114.93 118.62 2hms h MET 128 Ca 0.09 -0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.56 2hms h MET 128 Cb 0.10 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.80 2hms h MET 128 CO -0.01 0.34 0.61 0.78 0.23 0.00 0.00 176.91 178.86 2hms h GLY 129 N 0.69 1.53 1.91 1.39 0.00 0.43 -0.63 103.07 108.39 2hms h GLY 129 Ca 0.04 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 2hms h GLY 129 CO 0.02 0.24 -0.79 -0.39 0.00 0.00 0.00 176.54 175.62 2hms h VAL 130 N 1.05 1.18 -0.41 4.60 -1.51 -0.84 -2.42 116.25 117.91 2hms h VAL 130 Ca 0.45 -2.70 -0.10 0.00 -1.23 0.00 0.00 66.70 63.12 2hms h VAL 130 Cb 0.32 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2hms h VAL 130 CO -0.22 0.67 -0.15 0.11 -1.23 0.00 0.00 177.57 176.76 2hms h LYS 131 N 0.00 0.82 -0.32 5.19 1.57 -1.20 0.98 116.57 123.60 2hms h LYS 131 Ca -0.02 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2hms h LYS 131 Cb 1.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 2hms h LYS 131 CO 0.09 0.96 0.16 0.82 -0.57 0.00 0.00 179.45 180.92 2hms h ILE 132 N 0.63 1.15 -0.04 1.86 1.08 -1.13 -0.22 117.51 120.83 2hms h ILE 132 Ca 0.10 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2hms h ILE 132 Cb 0.69 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2hms h ILE 132 CO 0.05 0.15 -0.01 0.00 -0.69 0.00 0.00 178.15 177.65 2hms h ALA 133 N 1.02 1.91 -0.13 1.87 0.00 -1.23 -0.81 119.26 121.90 2hms h ALA 133 Ca 0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2hms h ALA 133 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hms h ALA 133 CO -0.02 0.07 -0.75 0.37 0.00 0.00 0.00 179.25 178.92 2hms h GLN 134 N 0.06 0.65 -0.56 0.00 5.75 0.08 -0.06 115.11 121.02 2hms h GLN 134 Ca 0.01 -0.52 -0.03 0.00 -0.15 0.00 0.00 58.65 57.96 2hms h GLN 134 Cb 0.06 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2hms h GLN 134 CO 0.00 1.14 0.23 0.77 -2.65 0.00 0.00 178.83 178.33 2hms h SER 135 N 0.44 0.76 -0.08 -0.69 0.02 0.21 -0.38 113.55 113.84 2hms h SER 135 Ca -0.04 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2hms h SER 135 Cb 1.36 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2hms h SER 135 CO 0.15 0.71 0.02 -0.07 -1.14 0.00 0.00 176.83 176.50 2hms h LEU 136 N 0.76 0.11 -0.90 5.07 3.38 -1.14 -2.83 115.31 119.76 2hms h LEU 136 Ca 0.19 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2hms h LEU 136 Cb 0.18 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 2hms h LEU 136 CO -0.02 0.30 0.54 -1.28 0.09 0.00 0.00 178.44 178.07 2hms h SER 137 N -0.08 0.79 -0.26 -0.43 0.87 -0.77 0.81 113.55 114.48 2hms h SER 137 Ca 0.02 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.71 2hms h SER 137 Cb 0.22 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2hms h SER 137 CO -0.00 0.44 0.21 0.44 -0.53 0.00 0.00 176.83 177.40 2hms h ASP 138 N 0.89 0.00 0.49 6.23 5.19 -0.82 0.23 116.42 128.63 2hms h ASP 138 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2hms h ASP 138 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2hms h ASP 138 CO -0.25 0.00 0.00 -0.33 -3.12 0.00 0.00 179.24 175.54 2hms h GLU 139 N 0.00 0.00 0.00 3.56 3.07 -0.73 -1.91 114.58 118.57 2hms h GLU 139 Ca 0.12 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.83 2hms h GLU 139 Cb 0.55 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 2hms h GLU 139 CO -0.00 0.00 -1.45 0.09 -1.40 0.00 0.00 179.01 176.25 2hms n ASN 140 N -2.30 0.74 -0.08 1.42 4.13 0.58 -4.81 115.26 114.95 2hms n ASN 140 Ca 0.01 0.13 -0.14 0.00 1.68 0.00 0.00 54.58 56.25 2hms n ASN 140 Cb 0.17 -0.30 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 2hms n ASN 140 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2hms h VAL 141 N -0.35 1.30 -4.14 2.41 2.07 -0.97 -3.45 116.25 113.13 2hms h VAL 141 Ca -0.23 -1.60 -0.48 0.00 0.82 0.00 0.00 66.70 65.22 2hms h VAL 141 Cb 1.15 1.67 0.04 0.00 -1.52 0.00 0.00 31.29 32.63 2hms h VAL 141 CO -0.14 0.51 0.38 -0.76 0.02 0.00 0.00 177.57 177.58 2hms s LEU 142 N -8.83 3.67 -0.76 2.57 1.43 -0.72 -4.94 118.68 111.10 2hms s LEU 142 Ca -0.12 1.86 -0.26 0.00 -1.03 0.00 0.00 54.13 54.58 2hms s LEU 142 Cb 0.09 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.77 2hms s LEU 142 CO 0.85 -0.95 1.55 0.20 0.23 0.00 0.00 176.35 178.23 2hms s ASN 143 N -2.42 5.84 0.00 2.29 0.01 -1.26 -4.82 114.94 114.59 2hms s ASN 143 Ca 0.65 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 2hms s ASN 143 Cb -0.16 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2hms s ASN 143 CO 0.28 -2.04 0.00 -1.22 -1.51 0.00 0.00 177.10 172.61