#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajp n SER 4 N 0.00 0.67 -0.52 -3.46 7.64 -1.26 -2.53 113.62 114.16 1ajp n SER 4 Ca 0.00 0.66 0.10 0.00 1.01 0.00 0.00 58.87 60.64 1ajp n SER 4 Cb 0.00 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 62.41 1ajp n SER 4 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ajp n SER 5 N -2.24 2.04 -4.73 6.43 3.41 -1.26 -4.81 113.62 112.46 1ajp n SER 5 Ca 0.02 -1.52 -0.39 0.00 -0.26 0.00 0.00 58.87 56.73 1ajp n SER 5 Cb 0.24 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 1ajp n SER 5 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ajp s GLU 6 N -2.15 4.36 -0.18 4.33 2.12 -1.05 -5.06 118.70 121.07 1ajp s GLU 6 Ca 0.18 0.67 0.01 0.00 0.36 0.00 0.00 54.97 56.19 1ajp s GLU 6 Cb 0.16 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 31.17 1ajp s GLU 6 CO 0.46 0.19 -0.18 0.42 -0.54 0.00 0.00 175.26 175.61 1ajp s ILE 7 N 0.43 1.93 -0.20 -3.70 1.01 -1.26 -4.52 121.20 114.90 1ajp s ILE 7 Ca 0.31 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1ajp s ILE 7 Cb -0.17 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1ajp s ILE 7 CO 0.15 0.47 0.06 -0.75 0.00 0.00 0.00 174.94 174.86 1ajp s LYS 8 N 1.33 3.88 -0.27 2.79 2.20 -0.53 -4.97 119.74 124.16 1ajp s LYS 8 Ca 0.04 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1ajp s LYS 8 Cb -0.14 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1ajp s LYS 8 CO -0.12 0.16 -0.04 0.42 -0.36 0.00 0.00 175.35 175.42 1ajp s ILE 9 N 0.67 2.95 -0.22 5.43 1.01 -1.26 -1.35 121.20 128.44 1ajp s ILE 9 Ca 0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 1ajp s ILE 9 Cb -0.13 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ajp s ILE 9 CO 0.02 0.09 -0.01 -0.69 0.00 0.00 0.00 174.94 174.35 1ajp s VAL 10 N 1.31 3.75 -0.12 2.92 1.01 -0.86 -4.96 120.40 123.45 1ajp s VAL 10 Ca -0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1ajp s VAL 10 Cb -0.18 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ajp s VAL 10 CO -0.03 0.41 0.12 -0.13 0.00 0.00 0.00 175.10 175.47 1ajp s ARG 11 N 1.32 3.39 0.00 2.72 0.52 -1.26 -0.25 118.95 125.39 1ajp s ARG 11 Ca 0.04 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1ajp s ARG 11 Cb -0.15 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.19 1ajp s ARG 11 CO 0.00 0.75 0.00 -0.40 0.02 0.00 0.00 175.30 175.67 1ajp n ASP 12 N 2.07 0.00 0.16 0.23 5.75 -0.54 -4.84 116.55 119.37 1ajp n ASP 12 Ca -0.20 -0.71 0.12 0.00 -0.01 0.00 0.00 54.79 53.99 1ajp n ASP 12 Cb 0.55 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 41.20 1ajp n ASP 12 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ajp h GLU 13 N 0.00 0.00 -0.41 0.11 3.07 -2.00 0.78 114.58 116.14 1ajp h GLU 13 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ajp h GLU 13 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ajp h GLU 13 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1ajp n TYR 14 N -2.31 0.53 -0.40 4.33 4.01 -1.26 -4.93 117.16 117.14 1ajp n TYR 14 Ca 0.00 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1ajp n TYR 14 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1ajp n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ajp n GLY 15 N 1.08 0.71 3.67 2.72 0.00 0.27 -5.01 105.19 108.63 1ajp n GLY 15 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1ajp n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ajp s MET 16 N -0.60 4.26 0.11 1.61 0.00 -1.26 -4.63 119.30 118.79 1ajp s MET 16 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 55.69 57.09 1ajp s MET 16 Cb 0.00 -3.71 -0.06 0.00 0.00 0.00 0.00 34.83 31.06 1ajp s MET 16 CO 0.00 -0.64 1.10 -1.25 0.00 0.00 0.00 175.02 174.23 1ajp s PRO 17 N 3.14 4.55 -0.18 4.11 0.04 -1.26 -1.47 135.00 143.93 1ajp s PRO 17 Ca 0.56 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 1ajp s PRO 17 Cb -0.23 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1ajp s PRO 17 CO 0.18 -0.03 -0.06 -1.01 0.04 0.00 0.00 177.00 176.12 1ajp s HIS 18 N 0.35 2.94 -0.22 0.56 3.76 0.66 -4.98 115.29 118.36 1ajp s HIS 18 Ca 0.52 -0.65 -0.07 0.00 -0.15 0.00 0.00 55.06 54.71 1ajp s HIS 18 Cb -0.28 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1ajp s HIS 18 CO 0.32 -0.30 0.07 0.42 -0.85 0.00 0.00 174.74 174.40 1ajp s ILE 19 N 0.83 4.55 -0.19 0.60 -1.09 -1.26 -2.03 121.20 122.61 1ajp s ILE 19 Ca -0.02 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1ajp s ILE 19 Cb -0.15 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1ajp s ILE 19 CO 0.01 0.39 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.68 1ajp s TYR 20 N 1.04 2.86 0.21 3.97 1.51 -0.45 -5.02 117.35 121.48 1ajp s TYR 20 Ca 0.04 -1.19 -0.22 0.00 -1.01 0.00 0.00 57.07 54.70 1ajp s TYR 20 Cb -0.14 -1.99 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1ajp s TYR 20 CO 0.03 -0.61 0.64 0.00 -1.11 0.00 0.00 175.55 174.50 1ajp s ALA 21 N 1.26 -1.36 -0.24 3.71 0.00 -1.26 -1.46 121.76 122.41 1ajp s ALA 21 Ca 0.03 0.07 0.15 0.00 0.00 0.00 0.00 51.96 52.21 1ajp s ALA 21 Cb -0.14 0.87 -0.20 0.00 0.00 0.00 0.00 23.12 23.64 1ajp s ALA 21 CO -0.06 -0.89 0.42 0.09 0.00 0.00 0.00 175.76 175.32 1ajp n ASN 22 N -0.41 1.31 -4.25 0.00 3.02 -1.26 -4.87 115.26 108.80 1ajp n ASN 22 Ca -0.11 -0.28 -0.17 0.00 -0.03 0.00 0.00 54.58 54.00 1ajp n ASN 22 Cb 0.62 1.45 -0.10 0.00 -0.61 0.00 0.00 39.78 41.14 1ajp n ASN 22 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1ajp s ASP 23 N -3.25 1.25 0.12 6.41 1.47 -1.26 -5.04 116.67 116.37 1ajp s ASP 23 Ca -0.02 -1.42 -0.27 0.00 1.18 0.00 0.00 52.55 52.02 1ajp s ASP 23 Cb 0.10 0.22 -0.06 0.00 -0.34 0.00 0.00 42.92 42.84 1ajp s ASP 23 CO 0.60 -0.77 1.62 0.74 0.68 0.00 0.00 175.17 178.04 1ajp h THR 24 N 2.35 0.32 -0.89 2.11 2.02 -1.96 -0.88 112.91 115.97 1ajp h THR 24 Ca -0.37 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1ajp h THR 24 Cb 1.25 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1ajp h THR 24 CO 0.59 0.00 0.57 -0.25 0.37 0.00 0.00 175.52 176.80 1ajp h TRP 25 N -0.47 1.06 -0.32 3.16 7.01 -1.94 -1.51 115.95 122.94 1ajp h TRP 25 Ca 0.06 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.96 1ajp h TRP 25 Cb 0.55 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 1ajp h TRP 25 CO -0.33 0.58 -0.28 0.45 -2.79 0.00 0.00 178.44 176.08 1ajp h HIS 26 N 1.08 0.90 -0.34 2.65 3.86 -1.81 -1.91 115.15 119.58 1ajp h HIS 26 Ca 0.37 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1ajp h HIS 26 Cb 0.08 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1ajp h HIS 26 CO -0.02 1.02 0.16 1.25 0.86 0.00 0.00 177.93 181.20 1ajp h LEU 27 N 0.53 0.22 -0.01 2.43 5.85 -0.79 -1.66 115.31 121.88 1ajp h LEU 27 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ajp h LEU 27 Cb 0.85 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1ajp h LEU 27 CO 0.07 0.17 0.00 -0.26 -0.34 0.00 0.00 178.44 178.08 1ajp h PHE 28 N 0.33 0.00 -0.20 1.25 0.04 -1.32 -2.18 116.94 114.87 1ajp h PHE 28 Ca 0.14 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.73 1ajp h PHE 28 Cb 0.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.22 1ajp h PHE 28 CO -0.11 0.00 -0.60 -0.92 -0.60 0.00 0.00 178.31 176.08 1ajp h TYR 29 N 0.00 0.98 -0.65 -0.55 5.03 -1.13 -1.68 116.97 118.97 1ajp h TYR 29 Ca 0.00 -0.39 0.04 0.00 2.58 0.00 0.00 58.73 60.96 1ajp h TYR 29 Cb 0.87 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.94 1ajp h TYR 29 CO 0.00 1.21 0.39 0.78 -1.32 0.00 0.00 178.16 179.21 1ajp h GLY 30 N 0.47 0.95 0.90 1.82 0.00 -0.71 -2.19 103.07 104.31 1ajp h GLY 30 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1ajp h GLY 30 CO 0.13 0.21 0.06 -1.82 0.00 0.00 0.00 176.54 175.12 1ajp h TYR 31 N 0.74 0.18 -0.93 5.60 5.03 -1.27 -2.04 116.97 124.28 1ajp h TYR 31 Ca 0.28 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.64 1ajp h TYR 31 Cb 0.10 -0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.26 1ajp h TYR 31 CO -0.06 0.24 0.60 0.78 -1.32 0.00 0.00 178.16 178.40 1ajp h GLY 32 N 0.07 1.36 0.75 1.82 0.00 -1.20 -1.47 103.07 104.41 1ajp h GLY 32 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1ajp h GLY 32 CO -0.01 0.31 -0.00 -1.82 0.00 0.00 0.00 176.54 175.03 1ajp h TYR 33 N 1.07 0.18 -0.01 5.60 3.20 -1.14 -2.21 116.97 123.65 1ajp h TYR 33 Ca 0.40 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 1ajp h TYR 33 Cb 0.18 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1ajp h TYR 33 CO -0.00 0.42 -0.47 -0.39 -1.64 0.00 0.00 178.16 176.08 1ajp h VAL 34 N -0.12 1.34 -0.21 1.81 -1.51 -1.19 -1.82 116.25 114.55 1ajp h VAL 34 Ca 0.03 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 1ajp h VAL 34 Cb 0.35 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1ajp h VAL 34 CO 0.00 0.47 0.09 0.58 -1.23 0.00 0.00 177.57 177.48 1ajp h VAL 35 N 0.03 1.16 -0.11 7.19 2.07 -1.25 0.34 116.25 125.68 1ajp h VAL 35 Ca -0.00 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ajp h VAL 35 Cb 0.84 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1ajp h VAL 35 CO 0.06 0.16 0.05 0.00 0.02 0.00 0.00 177.57 177.86 1ajp h ALA 36 N 0.94 1.89 -0.13 1.67 0.00 -1.30 0.24 119.26 122.57 1ajp h ALA 36 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ajp h ALA 36 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ajp h ALA 36 CO -0.01 0.10 -0.08 1.96 0.00 0.00 0.00 179.25 181.22 1ajp h GLN 37 N 0.14 0.28 0.18 0.00 4.20 -0.19 -3.29 115.11 116.44 1ajp h GLN 37 Ca 0.04 -0.13 -0.33 0.00 0.06 0.00 0.00 58.65 58.29 1ajp h GLN 37 Cb 0.02 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.81 1ajp h GLN 37 CO -0.01 0.63 -1.61 -0.44 -0.67 0.00 0.00 178.83 176.74 1ajp h ASP 38 N -0.08 0.61 -0.38 1.46 3.32 -0.80 -3.42 116.42 117.14 1ajp h ASP 38 Ca 0.03 -0.92 -0.28 0.00 0.02 0.00 0.00 57.03 55.87 1ajp h ASP 38 Cb 0.56 -0.20 -0.35 0.00 0.22 0.00 0.00 39.33 39.56 1ajp h ASP 38 CO 0.02 1.73 -0.93 0.54 -1.72 0.00 0.00 179.24 178.89 1ajp n ARG 39 N -3.70 1.92 -0.07 3.56 5.12 0.81 -4.95 116.66 119.36 1ajp n ARG 39 Ca -0.23 -3.38 -0.10 0.00 -1.93 0.00 0.00 57.85 52.21 1ajp n ARG 39 Cb 1.04 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.82 1ajp n ARG 39 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ajp h LEU 40 N 1.94 0.31 -0.58 0.55 5.85 -1.63 -0.71 115.31 121.04 1ajp h LEU 40 Ca 0.01 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1ajp h LEU 40 Cb 1.43 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1ajp h LEU 40 CO 0.31 0.25 0.04 0.15 -0.34 0.00 0.00 178.44 178.85 1ajp h PHE 41 N 0.34 1.07 -0.45 1.25 3.57 -1.92 -1.67 116.94 119.13 1ajp h PHE 41 Ca 0.09 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ajp h PHE 41 Cb -0.01 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1ajp h PHE 41 CO -0.05 0.95 0.28 0.37 -2.23 0.00 0.00 178.31 177.63 1ajp h GLN 42 N 0.89 0.60 -0.28 1.11 4.15 -1.90 -0.61 115.11 119.06 1ajp h GLN 42 Ca 0.17 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1ajp h GLN 42 Cb 0.49 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1ajp h GLN 42 CO 0.02 0.42 -0.09 0.52 -1.93 0.00 0.00 178.83 177.77 1ajp h MET 43 N 0.60 0.47 -0.01 1.69 2.86 -1.09 0.92 114.93 120.36 1ajp h MET 43 Ca 0.16 -0.12 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1ajp h MET 43 Cb -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1ajp h MET 43 CO -0.03 0.57 -0.83 1.49 1.06 0.00 0.00 176.91 179.17 1ajp h GLU 44 N 0.44 0.21 0.00 1.72 4.57 -0.45 0.52 114.58 121.59 1ajp h GLU 44 Ca 0.09 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 57.89 1ajp h GLU 44 Cb 0.43 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1ajp h GLU 44 CO 0.02 0.92 -0.77 0.52 -1.18 0.00 0.00 179.01 178.53 1ajp h MET 45 N 0.13 0.00 -0.49 1.92 2.86 -0.75 -2.05 114.93 116.54 1ajp h MET 45 Ca -0.04 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1ajp h MET 45 Cb 1.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 1ajp h MET 45 CO 0.13 0.77 -0.14 0.00 1.06 0.00 0.00 176.91 178.73 1ajp h ALA 46 N 1.23 0.83 -0.59 6.32 0.00 -0.67 -1.26 119.26 125.12 1ajp h ALA 46 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ajp h ALA 46 Cb 1.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ajp h ALA 46 CO 0.10 0.65 0.31 -0.09 0.00 0.00 0.00 179.25 180.22 1ajp h ARG 47 N 0.83 0.83 0.00 0.00 2.43 -0.75 -1.35 114.38 116.37 1ajp h ARG 47 Ca 0.13 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1ajp h ARG 47 Cb 0.68 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1ajp h ARG 47 CO 0.05 0.65 -0.23 0.00 -1.51 0.00 0.00 179.97 178.93 1ajp h ARG 48 N 0.80 0.00 -0.01 0.20 3.08 -1.17 -2.78 114.38 114.49 1ajp h ARG 48 Ca 0.21 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 1ajp h ARG 48 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.13 1ajp h ARG 48 CO -0.03 0.23 -0.74 0.77 -1.07 0.00 0.00 179.97 179.14 1ajp h SER 49 N 0.00 0.67 1.11 7.04 0.02 -0.72 0.49 113.55 122.17 1ajp h SER 49 Ca -0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1ajp h SER 49 Cb 0.76 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1ajp h SER 49 CO 0.03 1.32 0.00 0.35 -1.14 0.00 0.00 176.83 177.39 1ajp n THR 50 N -4.10 0.35 0.29 -2.27 -2.24 -0.55 -3.30 114.28 102.45 1ajp n THR 50 Ca -0.10 -0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1ajp n THR 50 Cb 0.73 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 1ajp n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajp n GLN 51 N -1.82 3.74 -2.18 -0.78 6.02 -1.06 -4.83 117.38 116.48 1ajp n GLN 51 Ca 0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 57.03 1ajp n GLN 51 Cb 0.35 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1ajp n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ajp n GLY 52 N 1.34 0.52 1.22 1.08 0.00 -0.21 -4.68 105.19 104.46 1ajp n GLY 52 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ajp n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ajp n THR 53 N -1.49 1.62 -0.07 2.61 -2.24 -0.01 -4.78 114.28 109.92 1ajp n THR 53 Ca -0.01 -2.79 -0.15 0.00 -2.27 0.00 0.00 64.05 58.83 1ajp n THR 53 Cb 0.51 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1ajp n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ajp h VAL 54 N 3.09 1.30 0.00 2.28 2.07 -1.91 -3.24 116.25 119.84 1ajp h VAL 54 Ca -0.01 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1ajp h VAL 54 Cb 1.34 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1ajp h VAL 54 CO 0.16 0.54 -0.08 0.00 0.02 0.00 0.00 177.57 178.21 1ajp h ALA 55 N 0.64 1.25 -0.40 1.67 0.00 -1.79 0.11 119.26 120.74 1ajp h ALA 55 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ajp h ALA 55 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ajp h ALA 55 CO 0.11 0.09 0.06 0.93 0.00 0.00 0.00 179.25 180.44 1ajp h GLU 56 N 0.00 0.62 0.00 0.00 5.08 -1.87 -0.40 114.58 118.01 1ajp h GLU 56 Ca -0.00 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1ajp h GLU 56 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ajp h GLU 56 CO 0.01 0.59 -1.94 1.33 -1.00 0.00 0.00 179.01 178.00 1ajp n VAL 57 N -4.29 0.47 0.42 3.13 0.24 -0.80 -4.68 118.33 112.83 1ajp n VAL 57 Ca 0.02 -0.53 0.04 0.00 -2.04 0.00 0.00 64.34 61.84 1ajp n VAL 57 Cb 0.22 -0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 1ajp n VAL 57 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ajp n LEU 58 N -2.32 0.42 0.00 1.34 4.77 0.33 -5.02 117.00 116.51 1ajp n LEU 58 Ca -0.13 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1ajp n LEU 58 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1ajp n LEU 58 CO 0.36 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1ajp n GLY 59 N 1.21 -1.77 0.25 -0.72 0.00 -0.16 -4.65 105.19 99.35 1ajp n GLY 59 Ca 0.02 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 44.16 1ajp n GLY 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ajp h LYS 60 N 0.00 0.00 0.00 1.61 2.10 -1.97 -1.93 116.57 116.38 1ajp h LYS 60 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ajp h LYS 60 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ajp h LYS 60 CO 0.00 0.11 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.10 1ajp h ASP 61 N 0.00 0.00 -0.61 7.07 3.32 -1.97 -3.03 116.42 121.21 1ajp h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ajp h ASP 61 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ajp h ASP 61 CO 0.01 0.02 0.00 0.49 -1.72 0.00 0.00 179.24 178.04 1ajp n PHE 62 N -3.18 0.80 -0.17 4.55 3.01 -0.72 -4.57 117.46 117.18 1ajp n PHE 62 Ca -0.01 -0.42 -0.09 0.00 1.01 0.00 0.00 57.45 57.94 1ajp n PHE 62 Cb 0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1ajp n PHE 62 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ajp h VAL 63 N 4.23 1.24 -0.56 -4.37 2.07 -1.67 -1.01 116.25 116.18 1ajp h VAL 63 Ca 0.00 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1ajp h VAL 63 Cb 0.97 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1ajp h VAL 63 CO 0.00 0.30 0.04 0.50 0.02 0.00 0.00 177.57 178.43 1ajp h LYS 64 N 0.65 0.97 0.04 1.57 3.64 -1.84 -0.97 116.57 120.62 1ajp h LYS 64 Ca 0.15 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1ajp h LYS 64 Cb 0.33 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1ajp h LYS 64 CO 0.00 0.95 -0.23 0.35 -2.27 0.00 0.00 179.45 178.25 1ajp h PHE 65 N 0.85 -0.61 -0.40 1.91 3.57 -1.81 0.22 116.94 120.67 1ajp h PHE 65 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1ajp h PHE 65 Cb 0.49 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1ajp h PHE 65 CO 0.04 -0.32 0.27 -0.44 -2.23 0.00 0.00 178.31 175.62 1ajp h ASP 66 N -0.39 0.46 -0.89 0.41 3.32 -1.02 -0.18 116.42 118.13 1ajp h ASP 66 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ajp h ASP 66 Cb 0.45 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1ajp h ASP 66 CO -0.18 0.34 0.58 0.11 -1.72 0.00 0.00 179.24 178.37 1ajp h LYS 67 N 0.55 1.19 -0.36 3.56 1.57 -0.93 -2.20 116.57 119.94 1ajp h LYS 67 Ca 0.15 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1ajp h LYS 67 Cb -0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1ajp h LYS 67 CO -0.03 0.80 0.06 -0.44 -0.57 0.00 0.00 179.45 179.27 1ajp h ASP 68 N 1.22 0.57 -0.35 0.86 3.32 0.35 -1.67 116.42 120.73 1ajp h ASP 68 Ca 0.33 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1ajp h ASP 68 Cb -0.12 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 1ajp h ASP 68 CO -0.07 0.68 0.02 0.40 -1.72 0.00 0.00 179.24 178.55 1ajp h ILE 69 N 0.44 0.76 -0.20 0.35 1.08 -0.97 -2.74 117.51 116.23 1ajp h ILE 69 Ca 0.11 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.45 1ajp h ILE 69 Cb 0.35 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1ajp h ILE 69 CO 0.01 0.02 -0.25 0.03 -0.69 0.00 0.00 178.15 177.26 1ajp h ARG 70 N 0.12 0.36 0.00 2.37 3.08 -1.23 -1.94 114.38 117.14 1ajp h ARG 70 Ca 0.17 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ajp h ARG 70 Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ajp h ARG 70 CO -0.27 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.22 1ajp h ARG 71 N 0.33 0.00 -0.58 0.04 3.08 -1.15 -3.17 114.38 112.93 1ajp h ARG 71 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ajp h ARG 71 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ajp h ARG 71 CO 0.04 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.23 1ajp n ASN 72 N -2.91 2.92 -3.61 7.04 5.15 -0.73 -4.95 115.26 118.17 1ajp n ASN 72 Ca 0.01 -2.24 -0.08 0.00 -0.60 0.00 0.00 54.58 51.67 1ajp n ASN 72 Cb 0.32 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 1ajp n ASN 72 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1ajp s TYR 73 N -1.70 0.09 -0.43 1.20 1.13 -1.20 -5.08 117.35 111.36 1ajp s TYR 73 Ca 0.30 -0.57 0.02 0.00 -1.41 0.00 0.00 57.07 55.41 1ajp s TYR 73 Cb 0.19 0.58 0.15 0.00 -1.10 0.00 0.00 41.96 41.78 1ajp s TYR 73 CO 0.15 -1.27 0.28 -0.46 -2.51 0.00 0.00 175.55 171.74 1ajp s TRP 74 N -3.48 1.58 0.38 -3.49 -0.11 -1.26 -4.99 118.94 107.57 1ajp s TRP 74 Ca 0.16 -2.26 0.14 0.00 1.22 0.00 0.00 56.10 55.36 1ajp s TRP 74 Cb -0.04 -1.48 0.98 0.00 -1.50 0.00 0.00 33.47 31.43 1ajp s TRP 74 CO 0.09 -0.78 1.81 -1.00 -4.62 0.00 0.00 176.95 172.45 1ajp h PRO 75 N 6.46 0.50 -0.38 5.86 0.13 -2.00 -1.46 132.00 141.11 1ajp h PRO 75 Ca 0.08 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1ajp h PRO 75 Cb 0.92 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1ajp h PRO 75 CO 0.42 0.33 0.22 -0.44 -0.23 0.00 0.00 178.00 178.30 1ajp h ASP 76 N 0.52 0.46 0.42 1.44 3.32 -1.99 -0.19 116.42 120.39 1ajp h ASP 76 Ca 0.54 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.46 1ajp h ASP 76 Cb 1.19 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1ajp h ASP 76 CO -0.28 0.37 -0.48 0.00 -1.72 0.00 0.00 179.24 177.13 1ajp h ALA 77 N 1.71 1.14 -0.23 3.45 0.00 -1.70 -1.77 119.26 121.86 1ajp h ALA 77 Ca 0.14 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1ajp h ALA 77 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ajp h ALA 77 CO -0.02 0.62 -0.41 0.82 0.00 0.00 0.00 179.25 180.26 1ajp h ILE 78 N 0.06 1.31 -0.39 0.00 1.08 -1.04 -2.94 117.51 115.59 1ajp h ILE 78 Ca 0.00 -1.62 -0.07 0.00 -0.39 0.00 0.00 64.86 62.78 1ajp h ILE 78 Cb 0.88 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 1ajp h ILE 78 CO 0.07 0.51 -0.04 0.03 -0.69 0.00 0.00 178.15 178.03 1ajp h ARG 79 N 0.38 0.65 0.00 2.37 3.08 -1.15 -1.28 114.38 118.43 1ajp h ARG 79 Ca 0.01 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1ajp h ARG 79 Cb 1.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1ajp h ARG 79 CO 0.09 0.70 -0.06 0.00 -1.07 0.00 0.00 179.97 179.62 1ajp h ALA 80 N 1.35 1.88 0.10 0.04 0.00 -1.34 0.11 119.26 121.40 1ajp h ALA 80 Ca 0.12 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1ajp h ALA 80 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ajp h ALA 80 CO 0.02 0.08 -1.17 1.96 0.00 0.00 0.00 179.25 180.14 1ajp h GLN 81 N 0.00 0.22 -0.59 0.00 4.20 -1.08 -2.91 115.11 114.96 1ajp h GLN 81 Ca -0.00 -0.37 -0.10 0.00 0.06 0.00 0.00 58.65 58.23 1ajp h GLN 81 Cb 0.11 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1ajp h GLN 81 CO 0.01 1.17 -0.04 0.82 -0.67 0.00 0.00 178.83 180.11 1ajp h ILE 82 N 0.07 1.27 0.00 2.54 2.04 -0.48 -2.87 117.51 120.07 1ajp h ILE 82 Ca -0.11 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1ajp h ILE 82 Cb 1.90 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1ajp h ILE 82 CO 0.19 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.77 1ajp h ALA 83 N 0.98 1.00 -0.22 1.87 0.00 -0.77 -2.65 119.26 119.47 1ajp h ALA 83 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ajp h ALA 83 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ajp h ALA 83 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ajp n ALA 84 N -1.99 2.50 -1.74 0.00 0.00 -1.09 -4.94 120.51 113.24 1ajp n ALA 84 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1ajp n ALA 84 Cb 0.24 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1ajp n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajp s LEU 85 N -1.49 3.70 0.80 0.00 1.43 -1.00 -5.04 118.68 117.08 1ajp s LEU 85 Ca 0.32 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 1ajp s LEU 85 Cb 0.18 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.91 1ajp s LEU 85 CO 0.26 -1.00 1.09 -0.94 0.23 0.00 0.00 176.35 175.99 1ajp s SER 86 N -2.24 4.36 0.23 2.29 1.04 -1.26 -4.77 113.70 113.35 1ajp s SER 86 Ca 0.67 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.62 1ajp s SER 86 Cb -0.17 -2.32 0.29 0.00 0.10 0.00 0.00 66.02 63.91 1ajp s SER 86 CO 0.27 -2.09 1.86 -0.65 0.98 0.00 0.00 173.24 173.61 1ajp h PRO 87 N -1.17 0.95 0.03 4.02 0.11 -1.99 -0.35 132.00 133.61 1ajp h PRO 87 Ca -0.46 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ajp h PRO 87 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ajp h PRO 87 CO 0.55 0.63 -0.01 1.49 -0.21 0.00 0.00 178.00 180.44 1ajp h GLU 88 N 0.98 -0.04 -0.81 1.05 4.57 -2.00 -2.25 114.58 116.08 1ajp h GLU 88 Ca 0.35 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1ajp h GLU 88 Cb 0.09 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1ajp h GLU 88 CO -0.15 0.06 0.34 -0.44 -1.18 0.00 0.00 179.01 177.65 1ajp h ASP 89 N -0.13 1.09 0.01 1.04 3.32 -1.87 -2.59 116.42 117.29 1ajp h ASP 89 Ca -0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1ajp h ASP 89 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ajp h ASP 89 CO 0.01 0.96 -0.08 -0.03 -1.72 0.00 0.00 179.24 178.37 1ajp h MET 90 N 1.16 0.18 -0.83 3.56 4.05 -0.97 -2.68 114.93 119.41 1ajp h MET 90 Ca 0.27 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1ajp h MET 90 Cb 0.19 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1ajp h MET 90 CO -0.03 0.28 0.52 0.77 0.23 0.00 0.00 176.91 178.68 1ajp h SER 91 N 0.18 0.84 -0.09 1.39 0.02 -0.98 0.12 113.55 115.02 1ajp h SER 91 Ca 0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1ajp h SER 91 Cb 0.26 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1ajp h SER 91 CO 0.01 0.55 -0.54 0.40 -1.14 0.00 0.00 176.83 176.12 1ajp h ILE 92 N 0.98 0.01 -0.49 3.27 2.04 -1.51 1.01 117.51 122.81 1ajp h ILE 92 Ca 0.35 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.13 1ajp h ILE 92 Cb 0.10 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1ajp h ILE 92 CO -0.15 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 177.90 1ajp h LEU 93 N -0.61 0.83 0.21 1.44 3.38 -1.52 -1.95 115.31 117.09 1ajp h LEU 93 Ca 0.03 -0.22 -0.32 0.00 0.09 0.00 0.00 57.88 57.45 1ajp h LEU 93 Cb 0.69 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.26 1ajp h LEU 93 CO -0.41 0.91 -1.41 -0.61 0.09 0.00 0.00 178.44 177.00 1ajp h GLN 94 N 0.78 0.53 -0.38 1.13 5.75 -0.51 -2.59 115.11 119.82 1ajp h GLN 94 Ca 0.14 -0.86 0.04 0.00 -0.15 0.00 0.00 58.65 57.83 1ajp h GLN 94 Cb 0.52 0.31 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 1ajp h GLN 94 CO 0.03 1.41 0.14 0.78 -2.65 0.00 0.00 178.83 178.54 1ajp h GLY 95 N 0.36 0.50 0.91 2.39 0.00 0.11 0.94 103.07 108.28 1ajp h GLY 95 Ca -0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1ajp h GLY 95 CO 0.26 0.04 -0.16 -1.82 0.00 0.00 0.00 176.54 174.87 1ajp h TYR 96 N 0.31 -0.40 -0.86 5.60 5.03 -1.30 0.24 116.97 125.58 1ajp h TYR 96 Ca 0.17 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 1ajp h TYR 96 Cb 0.14 0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 1ajp h TYR 96 CO -0.14 -0.24 0.49 0.00 -1.32 0.00 0.00 178.16 176.94 1ajp h ALA 97 N 0.36 1.23 -0.49 1.82 0.00 -1.26 -2.28 119.26 118.64 1ajp h ALA 97 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ajp h ALA 97 Cb 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ajp h ALA 97 CO 0.02 0.63 0.21 -0.44 0.00 0.00 0.00 179.25 179.67 1ajp h ASP 98 N 1.20 0.67 -0.44 0.00 3.32 -0.42 -1.26 116.42 119.49 1ajp h ASP 98 Ca 0.31 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1ajp h ASP 98 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1ajp h ASP 98 CO -0.05 0.65 0.25 1.23 -1.72 0.00 0.00 179.24 179.60 1ajp h GLY 99 N 0.65 0.67 1.01 2.75 0.00 -0.76 0.03 103.07 107.42 1ajp h GLY 99 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1ajp h GLY 99 CO -0.02 0.27 -0.24 -0.33 0.00 0.00 0.00 176.54 176.23 1ajp h MET 100 N 0.64 0.80 -0.81 4.80 2.86 -1.15 -2.97 114.93 119.09 1ajp h MET 100 Ca 0.17 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1ajp h MET 100 Cb 0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1ajp h MET 100 CO -0.03 1.00 0.44 -0.91 1.06 0.00 0.00 176.91 178.47 1ajp h ASN 101 N 0.58 1.02 -0.17 1.22 2.35 -0.35 0.17 115.58 120.41 1ajp h ASN 101 Ca 0.07 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1ajp h ASN 101 Cb 0.80 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1ajp h ASN 101 CO 0.06 0.83 -0.07 0.00 -1.65 0.00 0.00 177.43 176.60 1ajp h ALA 102 N 1.34 0.08 -0.15 -0.83 0.00 -0.87 0.32 119.26 119.15 1ajp h ALA 102 Ca 0.29 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1ajp h ALA 102 Cb 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ajp h ALA 102 CO -0.04 -0.51 -0.58 2.35 0.00 0.00 0.00 179.25 180.47 1ajp h TRP 103 N -0.05 0.59 -0.60 0.00 2.91 -1.39 -2.76 115.95 114.66 1ajp h TRP 103 Ca 0.09 -0.22 -0.06 0.00 1.13 0.00 0.00 58.89 59.84 1ajp h TRP 103 Cb 0.18 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 1ajp h TRP 103 CO -0.22 0.93 0.15 0.82 -1.03 0.00 0.00 178.44 179.09 1ajp h ILE 104 N 0.35 1.24 -0.07 2.65 2.04 0.00 0.55 117.51 124.27 1ajp h ILE 104 Ca 0.00 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1ajp h ILE 104 Cb 1.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1ajp h ILE 104 CO 0.10 0.33 -0.04 0.44 0.00 0.00 0.00 178.15 178.98 1ajp h ASP 105 N 0.90 -0.14 -0.94 1.72 3.32 -0.26 0.81 116.42 121.83 1ajp h ASP 105 Ca 0.19 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.33 1ajp h ASP 105 Cb 0.32 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1ajp h ASP 105 CO -0.00 -0.06 0.60 0.11 -1.72 0.00 0.00 179.24 178.17 1ajp h LYS 106 N -0.05 1.08 -0.33 3.56 1.57 -1.14 -1.86 116.57 119.39 1ajp h LYS 106 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ajp h LYS 106 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1ajp h LYS 106 CO -0.10 0.71 0.12 0.28 -0.57 0.00 0.00 179.45 179.89 1ajp h VAL 107 N 1.11 1.20 0.00 0.50 2.07 -0.43 -1.48 116.25 119.22 1ajp h VAL 107 Ca 0.40 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ajp h VAL 107 Cb 0.12 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ajp h VAL 107 CO -0.16 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.24 1ajp n ASN 108 N -4.68 0.00 0.02 0.57 3.02 0.23 -2.70 115.26 111.72 1ajp n ASN 108 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1ajp n ASN 108 Cb 0.16 -0.42 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 1ajp n ASN 108 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ajp n THR 109 N -1.42 1.10 -3.14 3.41 -1.04 -0.67 -4.54 114.28 107.99 1ajp n THR 109 Ca 0.08 -0.69 -0.20 0.00 -2.04 0.00 0.00 64.05 61.20 1ajp n THR 109 Cb 0.24 -0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1ajp n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ajp n ASN 110 N -2.82 1.59 0.27 8.00 4.05 -0.65 -4.95 115.26 120.74 1ajp n ASN 110 Ca -0.11 -3.14 0.16 0.00 0.45 0.00 0.00 54.58 51.94 1ajp n ASN 110 Cb 0.84 -0.61 0.68 0.00 1.23 0.00 0.00 39.78 41.92 1ajp n ASN 110 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ajp h PRO 111 N 3.04 0.00 0.00 1.20 0.13 -1.75 -1.84 132.00 132.77 1ajp h PRO 111 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1ajp h PRO 111 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1ajp h PRO 111 CO 0.57 0.05 -0.19 0.93 -0.23 0.00 0.00 178.00 179.12 1ajp h GLU 112 N 0.00 0.00 0.00 0.86 3.07 -1.92 -3.00 114.58 113.59 1ajp h GLU 112 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ajp h GLU 112 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1ajp h GLU 112 CO 0.01 0.19 -1.01 0.25 -1.40 0.00 0.00 179.01 177.05 1ajp n THR 113 N -3.98 0.00 0.42 1.13 -2.24 -1.11 -4.86 114.28 103.64 1ajp n THR 113 Ca -0.02 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1ajp n THR 113 Cb 0.28 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1ajp n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ajp n LEU 114 N -1.57 0.42 -4.68 3.22 4.77 -0.71 -4.96 117.00 113.49 1ajp n LEU 114 Ca -0.00 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 1ajp n LEU 114 Cb 0.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ajp n LEU 114 CO 0.00 0.10 0.87 -0.22 -1.33 0.00 0.00 177.39 176.82 1ajp s LEU 115 N -2.84 4.23 0.13 2.23 2.96 -1.13 -4.92 118.68 119.35 1ajp s LEU 115 Ca 0.02 1.61 -0.35 0.00 -0.22 0.00 0.00 54.13 55.20 1ajp s LEU 115 Cb 0.08 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 43.06 1ajp s LEU 115 CO 0.48 -0.54 1.24 -2.65 -1.32 0.00 0.00 176.35 173.56 1ajp n PRO 116 N 5.33 1.15 -0.31 0.98 -0.02 -1.26 -4.87 135.00 135.99 1ajp n PRO 116 Ca 0.10 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1ajp n PRO 116 Cb 0.47 -1.97 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 1ajp n PRO 116 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ajp h LYS 117 N 3.90 0.35 -0.52 -0.52 3.64 -1.99 -2.52 116.57 118.92 1ajp h LYS 117 Ca -0.45 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1ajp h LYS 117 Cb 1.34 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1ajp h LYS 117 CO 0.73 0.23 0.36 1.96 -2.27 0.00 0.00 179.45 180.46 1ajp h GLN 118 N 0.37 0.21 -0.88 1.90 7.50 -1.98 -0.75 115.11 121.47 1ajp h GLN 118 Ca 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.72 1ajp h GLN 118 Cb 1.20 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.64 1ajp h GLN 118 CO -0.56 0.14 0.51 0.74 -1.50 0.00 0.00 178.83 178.15 1ajp h PHE 119 N 0.22 1.19 -0.04 2.96 0.04 -1.74 0.72 116.94 120.28 1ajp h PHE 119 Ca 0.24 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1ajp h PHE 119 Cb 0.67 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1ajp h PHE 119 CO -0.00 0.80 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.60 1ajp h ASN 120 N 1.22 0.07 -0.38 2.17 2.35 -1.33 0.11 115.58 119.79 1ajp h ASN 120 Ca 0.31 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1ajp h ASN 120 Cb -0.01 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 1ajp h ASN 120 CO -0.06 0.40 -0.04 0.74 -1.65 0.00 0.00 177.43 176.83 1ajp h THR 121 N -0.26 0.67 -0.01 2.81 2.02 -0.57 -1.52 112.91 116.05 1ajp h THR 121 Ca 0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ajp h THR 121 Cb 0.37 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1ajp h THR 121 CO 0.00 0.01 -0.09 0.49 0.37 0.00 0.00 175.52 176.30 1ajp n PHE 122 N -5.24 0.00 -2.27 3.16 3.01 0.24 -5.00 117.46 111.37 1ajp n PHE 122 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 1ajp n PHE 122 Cb 0.21 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1ajp n PHE 122 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ajp n GLY 123 N 1.23 0.29 3.82 1.37 0.00 0.31 -4.99 105.19 107.21 1ajp n GLY 123 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1ajp n GLY 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ajp s PHE 124 N -3.07 -0.09 0.12 1.61 -0.71 -0.76 -5.03 117.98 110.05 1ajp s PHE 124 Ca 0.00 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1ajp s PHE 124 Cb -0.00 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 1ajp s PHE 124 CO 0.14 -1.13 -0.10 0.95 -1.34 0.00 0.00 175.22 173.74 1ajp s THR 125 N -3.25 1.00 0.64 -4.49 -4.23 -1.26 -4.54 115.64 99.51 1ajp s THR 125 Ca 0.13 -1.89 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 1ajp s THR 125 Cb -0.04 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1ajp s THR 125 CO 0.06 -0.70 1.21 -2.16 -0.54 0.00 0.00 174.62 172.49 1ajp s PRO 126 N -3.41 2.72 0.34 3.99 0.04 -1.26 -5.06 135.00 132.36 1ajp s PRO 126 Ca 0.12 1.80 0.09 0.00 0.04 0.00 0.00 61.00 63.05 1ajp s PRO 126 Cb 0.01 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1ajp s PRO 126 CO -0.01 -1.40 -0.07 0.15 0.04 0.00 0.00 177.00 175.72 1ajp s LYS 127 N -3.54 1.89 0.55 4.56 1.02 -1.26 -5.04 119.74 117.93 1ajp s LYS 127 Ca 0.76 -1.87 -0.17 0.00 0.02 0.00 0.00 55.97 54.72 1ajp s LYS 127 Cb -0.30 -1.78 -0.06 0.00 -0.52 0.00 0.00 37.83 35.18 1ajp s LYS 127 CO 0.37 0.15 1.03 1.03 -0.92 0.00 0.00 175.35 177.02 1ajp s ARG 128 N -3.64 3.57 0.20 1.68 0.52 -1.26 -5.05 118.95 114.97 1ajp s ARG 128 Ca 0.33 1.16 0.06 0.00 -0.52 0.00 0.00 55.73 56.75 1ajp s ARG 128 Cb 0.01 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1ajp s ARG 128 CO 0.17 -0.60 0.16 -1.58 0.02 0.00 0.00 175.30 173.48 1ajp s TRP 129 N -2.43 3.14 0.35 -0.53 0.52 -1.26 -5.12 118.94 113.60 1ajp s TRP 129 Ca 0.63 -0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.73 1ajp s TRP 129 Cb -0.14 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1ajp s TRP 129 CO 0.33 0.52 0.07 -1.83 0.02 0.00 0.00 176.95 176.05 1ajp s GLU 130 N -3.41 1.72 0.37 4.98 -1.05 -1.26 -4.78 118.70 115.28 1ajp s GLU 130 Ca 0.32 -1.98 0.17 0.00 -0.15 0.00 0.00 54.97 53.32 1ajp s GLU 130 Cb -0.09 -0.85 1.09 0.00 -0.44 0.00 0.00 34.13 33.83 1ajp s GLU 130 CO 0.24 -0.24 1.72 -1.35 0.95 0.00 0.00 175.26 176.57 1ajp h PRO 131 N 2.03 0.38 -0.58 -4.83 0.11 -1.93 -0.24 132.00 126.93 1ajp h PRO 131 Ca -0.40 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ajp h PRO 131 Cb 1.25 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1ajp h PRO 131 CO 0.68 0.25 0.37 0.35 -0.21 0.00 0.00 178.00 179.44 1ajp h PHE 132 N 0.39 0.71 -0.76 0.65 3.57 -1.96 -1.59 116.94 117.95 1ajp h PHE 132 Ca 0.67 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.16 1ajp h PHE 132 Cb 1.61 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 1ajp h PHE 132 CO -0.01 0.43 0.39 -0.44 -2.23 0.00 0.00 178.31 176.46 1ajp h ASP 133 N 0.75 0.97 -0.43 0.41 3.32 -1.43 -1.63 116.42 118.38 1ajp h ASP 133 Ca 0.22 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ajp h ASP 133 Cb -0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1ajp h ASP 133 CO -0.07 0.81 0.28 0.58 -1.72 0.00 0.00 179.24 179.13 1ajp h VAL 134 N 1.06 1.11 -0.63 -1.35 2.07 -1.41 -2.68 116.25 114.42 1ajp h VAL 134 Ca 0.26 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1ajp h VAL 134 Cb 0.08 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1ajp h VAL 134 CO -0.04 0.11 0.08 0.00 0.02 0.00 0.00 177.57 177.74 1ajp h ALA 135 N 1.16 0.96 0.00 1.67 0.00 -1.15 -2.80 119.26 119.09 1ajp h ALA 135 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ajp h ALA 135 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ajp h ALA 135 CO -0.03 0.65 -0.07 0.52 0.00 0.00 0.00 179.25 180.31 1ajp h MET 136 N 0.97 0.00 0.14 0.00 2.07 -1.15 -2.13 114.93 114.83 1ajp h MET 136 Ca 0.19 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1ajp h MET 136 Cb 0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1ajp h MET 136 CO 0.01 0.07 -0.09 0.82 1.07 0.00 0.00 176.91 178.80 1ajp h ILE 137 N 0.00 0.81 -0.28 -1.22 1.08 -1.20 -0.96 117.51 115.74 1ajp h ILE 137 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1ajp h ILE 137 Cb 0.43 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1ajp h ILE 137 CO 0.01 0.00 -0.08 0.15 -0.69 0.00 0.00 178.15 177.54 1ajp h PHE 138 N -0.22 0.62 -0.33 1.37 3.57 -1.57 -2.61 116.94 117.77 1ajp h PHE 138 Ca -0.01 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1ajp h PHE 138 Cb 0.19 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1ajp h PHE 138 CO -0.09 0.76 0.12 0.28 -2.23 0.00 0.00 178.31 177.15 1ajp h VAL 139 N 0.30 1.19 0.00 1.41 2.07 -1.30 -1.35 116.25 118.58 1ajp h VAL 139 Ca 0.07 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1ajp h VAL 139 Cb 0.56 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ajp h VAL 139 CO 0.03 0.21 -0.23 1.23 0.02 0.00 0.00 177.57 178.83 1ajp h GLY 140 N 0.38 0.00 -0.62 2.17 0.00 -1.23 0.61 103.07 104.39 1ajp h GLY 140 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ajp h GLY 140 CO -0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.23 1ajp n THR 141 N -3.32 0.31 0.00 4.70 -2.24 -0.98 -4.15 114.28 108.60 1ajp n THR 141 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1ajp n THR 141 Cb 0.48 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1ajp n THR 141 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1ajp n MET 142 N 0.30 0.00 0.01 -0.78 0.00 -0.53 -4.67 117.12 111.45 1ajp n MET 142 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.73 1ajp n MET 142 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 33.22 33.37 1ajp n MET 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ajp h ALA 143 N 0.00 -0.13 0.00 -5.12 0.00 -1.47 -2.48 119.26 110.06 1ajp h ALA 143 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ajp h ALA 143 Cb 0.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ajp h ALA 143 CO 0.00 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1ajp n ASN 144 N -4.66 0.09 -0.03 0.00 3.02 0.21 -2.06 115.26 111.83 1ajp n ASN 144 Ca -0.02 0.53 -0.08 0.00 -0.03 0.00 0.00 54.58 54.99 1ajp n ASN 144 Cb 0.05 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1ajp n ASN 144 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ajp n ARG 145 N -1.61 0.17 -0.24 3.52 0.63 -1.26 -4.57 116.66 113.31 1ajp n ARG 145 Ca 0.01 0.08 0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1ajp n ARG 145 Cb 0.06 -0.80 0.24 0.00 0.45 0.00 0.00 32.46 32.42 1ajp n ARG 145 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1ajp n PHE 146 N -3.47 0.63 -1.96 -0.14 3.72 -0.94 -4.63 117.46 110.66 1ajp n PHE 146 Ca -0.14 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1ajp n PHE 146 Cb 0.51 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1ajp n PHE 146 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ajp n SER 147 N 1.56 0.00 -1.41 4.37 2.88 -0.87 -4.88 113.62 115.26 1ajp n SER 147 Ca 0.21 -1.87 -0.09 0.00 -1.33 0.00 0.00 58.87 55.79 1ajp n SER 147 Cb 0.62 -0.17 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 1ajp n SER 147 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ajp n ASP 148 N 0.00 3.22 -4.69 -3.46 2.03 -1.16 -4.94 116.55 107.54 1ajp n ASP 148 Ca 0.00 -3.68 -0.39 0.00 0.52 0.00 0.00 54.79 51.24 1ajp n ASP 148 Cb 0.67 -0.43 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1ajp n ASP 148 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ajp s SER 149 N -3.39 6.65 0.07 1.67 0.01 -1.26 -5.00 113.70 112.45 1ajp s SER 149 Ca 0.44 0.78 -0.15 0.00 1.31 0.00 0.00 55.95 58.33 1ajp s SER 149 Cb 0.39 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 64.34 1ajp s SER 149 CO -0.02 -0.11 0.34 0.28 0.41 0.00 0.00 173.24 174.14 1ajp s THR 150 N 1.17 0.08 -0.01 1.44 -1.32 -1.26 -5.05 115.64 110.69 1ajp s THR 150 Ca 0.26 -0.67 0.21 0.00 -1.21 0.00 0.00 61.69 60.28 1ajp s THR 150 Cb -0.15 -1.05 0.35 0.00 -1.51 0.00 0.00 72.50 70.14 1ajp s THR 150 CO 0.10 -0.37 1.14 -1.54 -2.21 0.00 0.00 174.62 171.75 1ajp n SER 151 N 0.29 0.63 -0.25 8.08 3.41 -1.26 -4.95 113.62 119.57 1ajp n SER 151 Ca -0.17 -2.00 0.04 0.00 -0.26 0.00 0.00 58.87 56.48 1ajp n SER 151 Cb 0.61 -0.19 0.28 0.00 -0.26 0.00 0.00 64.21 64.65 1ajp n SER 151 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ajp h GLU 152 N 0.85 0.91 -0.24 4.33 5.08 -1.99 0.23 114.58 123.75 1ajp h GLU 152 Ca -0.29 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 1ajp h GLU 152 Cb 1.79 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1ajp h GLU 152 CO 0.03 0.60 -0.43 0.82 -1.00 0.00 0.00 179.01 179.03 1ajp h ILE 153 N 0.94 1.30 -0.51 3.13 2.04 -2.00 -2.27 117.51 120.15 1ajp h ILE 153 Ca 0.34 -1.63 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 1ajp h ILE 153 Cb 0.16 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1ajp h ILE 153 CO -0.12 0.52 -0.02 0.44 0.00 0.00 0.00 178.15 178.97 1ajp h ASP 154 N 0.45 0.84 -0.99 1.72 3.32 -1.52 -2.88 116.42 117.36 1ajp h ASP 154 Ca 0.02 -0.22 0.10 0.00 0.02 0.00 0.00 57.03 56.94 1ajp h ASP 154 Cb 1.03 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1ajp h ASP 154 CO 0.10 0.92 0.63 0.78 -1.72 0.00 0.00 179.24 179.94 1ajp h ASN 155 N 0.80 0.96 -0.22 6.45 2.35 -0.38 -1.01 115.58 124.52 1ajp h ASN 155 Ca 0.15 0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.74 1ajp h ASN 155 Cb 0.51 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ajp h ASN 155 CO 0.03 0.56 -0.60 0.25 -1.65 0.00 0.00 177.43 176.02 1ajp h LEU 156 N 1.06 0.93 -1.03 1.61 5.85 -1.32 -0.05 115.31 122.36 1ajp h LEU 156 Ca 0.46 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1ajp h LEU 156 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ajp h LEU 156 CO -0.22 1.31 -0.17 0.00 -0.34 0.00 0.00 178.44 179.02 1ajp h ALA 157 N 0.70 1.19 0.08 1.25 0.00 -1.19 -1.19 119.26 120.09 1ajp h ALA 157 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ajp h ALA 157 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ajp h ALA 157 CO 0.13 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.11 1ajp h LEU 158 N 0.45 -0.09 -0.67 0.00 5.85 -0.31 -2.74 115.31 117.79 1ajp h LEU 158 Ca 0.08 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1ajp h LEU 158 Cb 0.56 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1ajp h LEU 158 CO 0.04 -0.02 0.39 0.25 -0.34 0.00 0.00 178.44 178.77 1ajp h LEU 159 N -0.17 0.62 -0.67 2.25 5.85 -0.83 -1.29 115.31 121.07 1ajp h LEU 159 Ca -0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ajp h LEU 159 Cb 0.14 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1ajp h LEU 159 CO 0.02 0.41 0.15 0.74 -0.34 0.00 0.00 178.44 179.42 1ajp h THR 160 N 0.75 1.26 0.00 1.05 2.02 -1.21 -1.59 112.91 115.19 1ajp h THR 160 Ca 0.29 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1ajp h THR 160 Cb 0.11 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1ajp h THR 160 CO -0.14 0.37 -0.38 0.00 0.37 0.00 0.00 175.52 175.73 1ajp h ALA 161 N 1.06 1.00 0.00 6.16 0.00 -1.08 -2.58 119.26 123.82 1ajp h ALA 161 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ajp h ALA 161 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ajp h ALA 161 CO 0.00 0.48 -0.23 -0.07 0.00 0.00 0.00 179.25 179.43 1ajp h LEU 162 N 0.00 0.00 0.08 0.00 3.38 -0.80 -2.40 115.31 115.56 1ajp h LEU 162 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1ajp h LEU 162 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1ajp h LEU 162 CO 0.05 0.23 -1.38 0.11 0.09 0.00 0.00 178.44 177.54 1ajp h LYS 163 N 0.00 0.17 -0.06 1.13 1.57 -1.00 -2.07 116.57 116.30 1ajp h LYS 163 Ca -0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1ajp h LYS 163 Cb 0.94 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1ajp h LYS 163 CO 0.03 1.04 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.48 1ajp h ASP 164 N 0.05 0.12 0.23 0.86 5.19 -1.35 -0.24 116.42 121.28 1ajp h ASP 164 Ca -0.17 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 55.82 1ajp h ASP 164 Cb 1.95 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.43 1ajp h ASP 164 CO 0.15 0.49 -0.11 0.50 -3.12 0.00 0.00 179.24 177.15 1ajp h LYS 165 N -0.25 -0.30 -0.10 3.56 3.64 -1.51 -3.37 116.57 118.23 1ajp h LYS 165 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ajp h LYS 165 Cb 0.44 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ajp h LYS 165 CO 0.01 -0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 1ajp n TYR 166 N -5.18 0.12 0.00 1.91 4.01 -0.78 -5.08 117.16 112.16 1ajp n TYR 166 Ca -0.09 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1ajp n TYR 166 Cb 0.18 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1ajp n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ajp n GLY 167 N 0.57 0.55 0.21 2.72 0.00 -0.10 -4.25 105.19 104.89 1ajp n GLY 167 Ca 0.08 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 1ajp n GLY 167 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ajp h VAL 168 N 0.00 0.00 -0.24 1.61 2.07 -1.90 0.22 116.25 118.01 1ajp h VAL 168 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1ajp h VAL 168 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1ajp h VAL 168 CO 0.00 0.00 -0.12 0.28 0.02 0.00 0.00 177.57 177.75 1ajp h SER 169 N -0.26 0.38 0.20 0.57 0.02 -1.95 -3.15 113.55 109.37 1ajp h SER 169 Ca 0.02 -0.09 -0.26 0.00 -0.84 0.00 0.00 61.79 60.62 1ajp h SER 169 Cb 0.31 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ajp h SER 169 CO -0.20 0.53 -1.05 -0.61 -1.14 0.00 0.00 176.83 174.36 1ajp h GLN 170 N 0.37 0.54 -0.75 3.45 5.75 -1.68 -2.62 115.11 120.16 1ajp h GLN 170 Ca 0.07 -0.62 0.05 0.00 -0.15 0.00 0.00 58.65 58.00 1ajp h GLN 170 Cb 0.44 0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1ajp h GLN 170 CO 0.02 1.24 0.50 0.78 -2.65 0.00 0.00 178.83 178.72 1ajp h GLY 171 N 0.81 1.03 0.95 2.39 0.00 -0.59 -1.19 103.07 106.47 1ajp h GLY 171 Ca -0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1ajp h GLY 171 CO 0.19 0.27 -0.27 1.98 0.00 0.00 0.00 176.54 178.72 1ajp h MET 172 N 0.86 0.66 -0.12 4.80 1.85 -1.49 -1.91 114.93 119.59 1ajp h MET 172 Ca 0.31 -0.35 -0.12 0.00 -0.61 0.00 0.00 59.70 58.93 1ajp h MET 172 Cb 0.16 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1ajp h MET 172 CO -0.10 0.95 -0.47 0.00 -0.40 0.00 0.00 176.91 176.90 1ajp h ALA 173 N 0.70 0.99 -0.21 0.39 0.00 -1.05 -1.97 119.26 118.10 1ajp h ALA 173 Ca 0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1ajp h ALA 173 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ajp h ALA 173 CO 0.07 0.64 -0.55 0.28 0.00 0.00 0.00 179.25 179.68 1ajp h VAL 174 N 0.24 1.30 -0.76 0.00 2.07 -1.04 -2.47 116.25 115.58 1ajp h VAL 174 Ca 0.01 -1.77 0.16 0.00 0.82 0.00 0.00 66.70 65.93 1ajp h VAL 174 Cb 0.92 1.84 -0.11 0.00 -1.52 0.00 0.00 31.29 32.42 1ajp h VAL 174 CO 0.08 0.56 0.22 0.15 0.02 0.00 0.00 177.57 178.60 1ajp h PHE 175 N 0.47 0.36 0.00 1.57 3.57 -1.33 0.99 116.94 122.58 1ajp h PHE 175 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ajp h PHE 175 Cb 1.17 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1ajp h PHE 175 CO 0.09 -0.05 0.00 -0.91 -2.23 0.00 0.00 178.31 175.20 1ajp h ASN 176 N 0.32 0.00 0.50 0.41 2.35 -1.02 -0.69 115.58 117.44 1ajp h ASN 176 Ca 0.43 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.88 1ajp h ASN 176 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1ajp h ASN 176 CO -0.49 0.00 -1.42 -0.61 -1.65 0.00 0.00 177.43 173.26 1ajp h GLN 177 N 0.00 0.29 0.15 0.81 4.15 0.14 -3.23 115.11 117.42 1ajp h GLN 177 Ca 0.00 -0.50 -0.31 0.00 0.77 0.00 0.00 58.65 58.61 1ajp h GLN 177 Cb 0.44 0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1ajp h GLN 177 CO 0.00 1.19 -1.49 -0.07 -1.93 0.00 0.00 178.83 176.53 1ajp h LEU 178 N 0.08 0.50 -6.03 -2.39 3.38 -0.54 -3.41 115.31 106.90 1ajp h LEU 178 Ca -0.20 -0.63 -0.56 0.00 0.09 0.00 0.00 57.88 56.57 1ajp h LEU 178 Cb 2.02 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 42.21 1ajp h LEU 178 CO 0.19 1.51 -1.02 1.17 0.09 0.00 0.00 178.44 180.39 1ajp n LYS 179 N -3.53 1.08 -1.03 1.13 3.00 -0.31 -5.10 118.16 113.41 1ajp n LYS 179 Ca -0.16 -3.51 -0.31 0.00 -0.00 0.00 0.00 58.31 54.33 1ajp n LYS 179 Cb 1.05 -1.43 0.13 0.00 0.00 0.00 0.00 35.03 34.78 1ajp n LYS 179 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1ajp s TRP 180 N -1.50 2.07 -0.08 5.64 -2.14 -1.22 -4.59 118.94 117.12 1ajp s TRP 180 Ca 0.36 1.68 -0.14 0.00 2.66 0.00 0.00 56.10 60.66 1ajp s TRP 180 Cb 0.18 -3.23 -0.11 0.00 -3.10 0.00 0.00 33.47 27.20 1ajp s TRP 180 CO -0.09 -2.35 0.51 1.25 -2.66 0.00 0.00 176.95 173.60 1ajp h LEU 181 N -1.36 -0.12 -8.44 -4.66 5.85 -1.95 -3.47 115.31 101.16 1ajp h LEU 181 Ca -0.44 -0.30 -0.29 0.00 0.84 0.00 0.00 57.88 57.68 1ajp h LEU 181 Cb 1.26 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.15 1ajp h LEU 181 CO 0.47 0.49 -0.72 0.68 -0.34 0.00 0.00 178.44 179.01 1ajp s VAL 182 N -2.50 0.87 -0.20 1.05 -7.23 -1.26 -5.13 120.40 106.00 1ajp s VAL 182 Ca -0.09 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1ajp s VAL 182 Cb -0.00 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.59 1ajp s VAL 182 CO 0.32 -0.63 0.05 0.21 -0.31 0.00 0.00 175.10 174.73 1ajp s ASN 183 N -2.58 2.85 0.23 4.85 3.84 -1.26 -5.03 114.94 117.85 1ajp s ASN 183 Ca 0.07 -0.82 0.20 0.00 0.21 0.00 0.00 52.86 52.52 1ajp s ASN 183 Cb -0.01 -0.53 0.93 0.00 -0.55 0.00 0.00 41.25 41.09 1ajp s ASN 183 CO -0.01 -0.32 1.62 -0.81 -2.79 0.00 0.00 177.10 174.78 1ajp n PRO 184 N 5.09 0.14 0.00 0.43 -0.04 -1.26 -2.22 135.00 137.15 1ajp n PRO 184 Ca -0.08 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1ajp n PRO 184 Cb 0.47 -1.83 0.33 0.00 -0.04 0.00 0.00 33.50 32.43 1ajp n PRO 184 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ajp n SER 185 N -2.11 2.08 -4.70 3.54 3.41 -1.26 -4.95 113.62 109.64 1ajp n SER 185 Ca 0.01 -1.66 -0.44 0.00 -0.26 0.00 0.00 58.87 56.52 1ajp n SER 185 Cb 0.15 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1ajp n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ajp n ALA 186 N 0.58 2.13 -1.71 7.33 0.00 -0.94 -4.95 120.51 122.95 1ajp n ALA 186 Ca 0.16 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.60 1ajp n ALA 186 Cb 0.46 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1ajp n ALA 186 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ajp n PRO 187 N 3.51 2.73 -4.87 0.00 -0.02 -1.26 -5.01 135.00 130.09 1ajp n PRO 187 Ca 0.16 0.99 -0.30 0.00 -2.02 0.00 0.00 63.50 62.32 1ajp n PRO 187 Cb 0.32 -2.84 -0.15 0.00 -0.02 0.00 0.00 33.50 30.82 1ajp n PRO 187 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ajp s THR 188 N 1.47 2.12 0.34 3.45 -4.23 -1.26 -5.02 115.64 112.50 1ajp s THR 188 Ca 0.77 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1ajp s THR 188 Cb -0.52 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 71.63 1ajp s THR 188 CO 0.34 0.34 1.83 0.74 -0.54 0.00 0.00 174.62 177.33 1ajp h THR 189 N 4.22 1.22 -3.29 3.99 2.02 -2.04 -3.40 112.91 115.63 1ajp h THR 189 Ca -0.46 -1.00 -0.61 0.00 0.77 0.00 0.00 66.41 65.10 1ajp h THR 189 Cb 1.14 1.24 -0.13 0.00 -1.74 0.00 0.00 68.15 68.66 1ajp h THR 189 CO 0.43 0.32 -0.51 -0.63 0.37 0.00 0.00 175.52 175.50 1ajp s ILE 190 N -4.65 5.21 0.62 3.11 1.01 -1.26 -5.08 121.20 120.16 1ajp s ILE 190 Ca -0.06 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 1ajp s ILE 190 Cb 0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1ajp s ILE 190 CO 0.76 0.44 1.14 0.00 0.00 0.00 0.00 174.94 177.28 1ajp s ALA 191 N 0.40 2.51 0.44 9.38 0.00 -1.26 -4.89 121.76 128.33 1ajp s ALA 191 Ca 0.06 0.73 0.17 0.00 0.00 0.00 0.00 51.96 52.92 1ajp s ALA 191 Cb -0.12 -3.36 1.06 0.00 0.00 0.00 0.00 23.12 20.70 1ajp s ALA 191 CO -0.01 -1.17 1.99 -0.39 0.00 0.00 0.00 175.76 176.18 1ajp h VAL 192 N 0.46 1.04 0.00 0.00 -1.51 -1.95 -0.98 116.25 113.31 1ajp h VAL 192 Ca -0.48 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1ajp h VAL 192 Cb 1.26 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1ajp h VAL 192 CO 0.55 0.18 0.00 1.56 -1.23 0.00 0.00 177.57 178.63 1ajp h GLN 193 N 0.00 0.00 0.01 5.19 7.50 -2.05 -3.23 115.11 122.52 1ajp h GLN 193 Ca -0.00 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.82 1ajp h GLN 193 Cb 0.35 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.83 1ajp h GLN 193 CO 0.02 0.00 -1.79 0.39 -1.50 0.00 0.00 178.83 175.96 1ajp n GLU 194 N -2.79 0.58 -3.71 1.46 -0.58 -0.38 -5.07 120.64 110.16 1ajp n GLU 194 Ca -0.01 0.44 -0.02 0.00 -0.42 0.00 0.00 57.16 57.14 1ajp n GLU 194 Cb 0.12 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 1ajp n GLU 194 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ajp s SER 195 N -7.09 -0.15 0.15 1.62 1.04 -1.21 -5.10 113.70 102.96 1ajp s SER 195 Ca -0.32 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 55.83 1ajp s SER 195 Cb 0.09 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1ajp s SER 195 CO 0.56 -0.73 -0.08 0.54 0.98 0.00 0.00 173.24 174.52 1ajp s ASN 196 N -2.92 1.65 0.25 7.02 4.22 -1.26 -4.54 114.94 119.37 1ajp s ASN 196 Ca 0.12 -1.04 -0.30 0.00 -2.14 0.00 0.00 52.86 49.51 1ajp s ASN 196 Cb 0.00 0.02 -0.09 0.00 1.28 0.00 0.00 41.25 42.46 1ajp s ASN 196 CO 0.00 -0.39 1.15 -0.47 -2.04 0.00 0.00 177.10 175.36 1ajp s TYR 197 N -3.41 3.47 -0.81 1.54 5.04 -1.26 -4.97 117.35 116.96 1ajp s TYR 197 Ca 0.18 1.58 0.24 0.00 -2.44 0.00 0.00 57.07 56.62 1ajp s TYR 197 Cb 0.04 -3.38 0.36 0.00 0.35 0.00 0.00 41.96 39.33 1ajp s TYR 197 CO 0.01 -0.91 1.31 -0.35 -1.34 0.00 0.00 175.55 174.27 1ajp n PRO 198 N 1.62 0.15 -3.26 4.97 -0.04 -1.26 -4.93 135.00 132.24 1ajp n PRO 198 Ca 0.01 0.03 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 1ajp n PRO 198 Cb 0.44 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1ajp n PRO 198 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ajp s LEU 199 N -3.59 4.19 0.06 1.53 1.43 -1.26 -5.08 118.68 115.96 1ajp s LEU 199 Ca 0.08 1.14 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1ajp s LEU 199 Cb 0.15 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1ajp s LEU 199 CO 0.73 -0.07 -0.25 -0.75 0.23 0.00 0.00 176.35 176.23 1ajp s LYS 200 N -2.59 1.63 0.16 1.70 2.47 -1.26 -5.15 119.74 116.70 1ajp s LYS 200 Ca 0.47 -1.12 0.09 0.00 -1.56 0.00 0.00 55.97 53.85 1ajp s LYS 200 Cb -0.12 -1.85 -0.04 0.00 -1.46 0.00 0.00 37.83 34.35 1ajp s LYS 200 CO 0.19 0.47 -0.21 -0.06 0.16 0.00 0.00 175.35 175.90 1ajp s PHE 201 N -0.86 1.98 0.18 4.03 0.40 -1.26 -5.12 117.98 117.33 1ajp s PHE 201 Ca 0.11 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1ajp s PHE 201 Cb -0.10 -1.02 -0.09 0.00 0.51 0.00 0.00 43.02 42.33 1ajp s PHE 201 CO 0.03 0.35 1.35 1.21 0.70 0.00 0.00 175.22 178.85 1ajp s ASN 202 N -2.44 6.85 -0.26 1.36 3.84 -1.26 -4.94 114.94 118.09 1ajp s ASN 202 Ca 0.15 2.40 0.13 0.00 0.21 0.00 0.00 52.86 55.75 1ajp s ASN 202 Cb -0.08 -2.60 0.47 0.00 -0.55 0.00 0.00 41.25 38.49 1ajp s ASN 202 CO 0.07 -0.58 1.17 0.00 -2.79 0.00 0.00 177.10 174.97 1ajp n GLN 203 N 3.02 2.64 0.00 0.43 10.64 -1.26 -4.62 117.38 128.24 1ajp n GLN 203 Ca 0.08 -3.76 0.00 0.00 -1.83 0.00 0.00 57.00 51.49 1ajp n GLN 203 Cb 0.42 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 1ajp n GLN 203 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1ajp n GLN 204 N -0.65 -0.59 -3.49 2.61 1.13 -1.26 -4.98 117.38 110.15 1ajp n GLN 204 Ca 0.28 -0.58 -0.21 0.00 -1.94 0.00 0.00 57.00 54.56 1ajp n GLN 204 Cb 0.90 -0.98 0.08 0.00 0.11 0.00 0.00 30.24 30.35 1ajp n GLN 204 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ajp n ASN 205 N -0.05 -5.04 0.20 1.08 4.05 -1.26 -4.86 115.26 109.38 1ajp n ASN 205 Ca 0.00 -0.53 0.12 0.00 0.45 0.00 0.00 54.58 54.62 1ajp n ASN 205 Cb 0.03 -4.80 0.64 0.00 1.23 0.00 0.00 39.78 36.88 1ajp n ASN 205 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1ajp h SER 206 N -2.35 0.00 0.33 1.20 0.02 -1.94 -2.64 113.55 108.17 1ajp h SER 206 Ca -0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1ajp h SER 206 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1ajp h SER 206 CO 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.20 1ajp n GLN 207 N -2.36 0.11 0.00 3.45 0.00 -1.26 -5.23 117.38 112.08 1ajp n GLN 207 Ca -0.02 0.21 0.13 0.00 0.00 0.00 0.00 57.00 57.33 1ajp n GLN 207 Cb 0.12 -1.50 0.34 0.00 0.00 0.00 0.00 30.24 29.19 1ajp n GLN 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31