#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3haj s SER 18 N 0.00 2.90 0.23 -1.12 0.15 -1.26 -5.05 113.70 109.56 3haj s SER 18 Ca 0.00 -1.02 -0.06 0.00 0.70 0.00 0.00 55.95 55.57 3haj s SER 18 Cb 0.00 -0.19 0.39 0.00 -1.71 0.00 0.00 66.02 64.51 3haj s SER 18 CO 0.00 -0.10 1.73 0.15 1.20 0.00 0.00 173.24 176.22 3haj h PHE 19 N 2.47 0.45 0.00 3.44 3.57 -2.01 -1.54 116.94 123.31 3haj h PHE 19 Ca -0.39 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.09 3haj h PHE 19 Cb 1.23 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3haj h PHE 19 CO 0.75 0.06 -0.27 -1.49 -2.23 0.00 0.00 178.31 175.13 3haj h TRP 20 N 0.42 0.00 -3.78 0.41 4.06 -1.97 -3.36 115.95 111.72 3haj h TRP 20 Ca 0.38 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.79 3haj h TRP 20 Cb 0.54 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.80 3haj h TRP 20 CO -0.18 0.27 0.78 -2.00 -3.56 0.00 0.00 178.44 173.75 3haj s GLU 21 N -3.72 4.15 0.09 0.49 2.12 -0.58 -4.83 118.70 116.42 3haj s GLU 21 Ca -0.00 2.52 -0.37 0.00 0.36 0.00 0.00 54.97 57.48 3haj s GLU 21 Cb 0.11 -3.00 -0.17 0.00 0.26 0.00 0.00 34.13 31.33 3haj s GLU 21 CO 0.65 -0.51 1.34 0.28 -0.54 0.00 0.00 175.26 176.48 3haj n VAL 22 N 0.95 0.01 -1.08 3.70 0.31 -1.26 -1.94 118.33 119.01 3haj n VAL 22 Ca 0.03 -0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.32 3haj n VAL 22 Cb 0.39 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 3haj n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3haj n GLY 23 N 2.51 0.61 1.25 2.92 0.00 -1.26 -4.91 105.19 106.31 3haj n GLY 23 Ca 0.18 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3haj n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3haj n ASN 24 N 0.72 3.69 0.08 1.61 4.13 -0.82 -3.87 115.26 120.81 3haj n ASN 24 Ca -0.03 -2.00 0.10 0.00 1.68 0.00 0.00 54.58 54.33 3haj n ASN 24 Cb 0.13 -0.35 0.42 0.00 -1.54 0.00 0.00 39.78 38.44 3haj n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3haj n TYR 25 N 1.58 0.48 0.22 3.10 0.18 -1.26 -3.43 117.16 118.03 3haj n TYR 25 Ca 0.22 0.19 0.10 0.00 1.88 0.00 0.00 57.90 60.28 3haj n TYR 25 Cb 0.62 -0.80 0.65 0.00 -0.38 0.00 0.00 39.34 39.42 3haj n TYR 25 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 3haj h LYS 26 N 0.00 0.00 -0.35 -3.48 2.10 -1.95 -1.82 116.57 111.07 3haj h LYS 26 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 3haj h LYS 26 Cb 0.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 3haj h LYS 26 CO 0.00 0.00 0.09 -0.09 -2.00 0.00 0.00 179.45 177.45 3haj h ARG 27 N 0.00 0.52 0.00 0.07 2.43 -1.88 0.80 114.38 116.31 3haj h ARG 27 Ca 0.03 -0.08 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 3haj h ARG 27 Cb 0.14 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3haj h ARG 27 CO -0.00 0.47 -1.33 1.79 -1.51 0.00 0.00 179.97 179.40 3haj h THR 28 N 0.51 1.22 -0.75 0.20 1.35 -1.62 -3.13 112.91 110.70 3haj h THR 28 Ca 0.12 -2.98 -0.05 0.00 -0.55 0.00 0.00 66.41 62.95 3haj h THR 28 Cb 0.19 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.17 3haj h THR 28 CO -0.00 0.70 0.27 0.58 -0.25 0.00 0.00 175.52 176.81 3haj h VAL 29 N 0.00 1.26 0.00 6.82 2.07 -0.85 -1.31 116.25 124.24 3haj h VAL 29 Ca -0.14 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3haj h VAL 29 Cb 1.86 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3haj h VAL 29 CO 0.10 0.34 -0.05 0.50 0.02 0.00 0.00 177.57 178.48 3haj h LYS 30 N 1.10 0.00 0.00 1.57 3.64 -0.93 -3.15 116.57 118.80 3haj h LYS 30 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3haj h LYS 30 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3haj h LYS 30 CO -0.02 0.05 0.00 -2.13 -2.27 0.00 0.00 179.45 175.08 3haj n ARG 31 N -3.17 0.19 -0.07 1.90 0.00 -0.49 -2.43 116.66 112.58 3haj n ARG 31 Ca 0.00 0.50 -0.10 0.00 -0.00 0.00 0.00 57.85 58.24 3haj n ARG 31 Cb 0.32 -1.91 -0.15 0.00 0.00 0.00 0.00 32.46 30.72 3haj n ARG 31 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3haj n ILE 32 N -2.27 1.48 -0.33 5.15 3.06 -1.19 -3.05 119.36 122.21 3haj n ILE 32 Ca 0.01 -0.81 0.02 0.00 -2.50 0.00 0.00 62.75 59.47 3haj n ILE 32 Cb 0.17 -0.76 0.19 0.00 0.54 0.00 0.00 39.64 39.79 3haj n ILE 32 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3haj h ASP 33 N 0.00 1.00 -0.22 9.51 3.45 -1.63 -2.25 116.42 126.28 3haj h ASP 33 Ca -0.46 -0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.89 3haj h ASP 33 Cb 2.14 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.68 3haj h ASP 33 CO 0.04 0.67 -0.21 0.44 -1.57 0.00 0.00 179.24 178.61 3haj h ASP 34 N 1.15 0.67 -0.50 6.45 3.32 -1.61 -2.08 116.42 123.82 3haj h ASP 34 Ca 0.39 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 57.29 3haj h ASP 34 Cb 0.08 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 3haj h ASP 34 CO -0.13 0.87 0.12 1.23 -1.72 0.00 0.00 179.24 179.61 3haj h GLY 35 N 0.99 0.62 1.59 2.75 0.00 -1.33 0.41 103.07 108.09 3haj h GLY 35 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 3haj h GLY 35 CO 0.05 -0.05 -0.27 0.84 0.00 0.00 0.00 176.54 177.11 3haj h HIS 36 N 0.26 0.54 -0.18 5.60 -0.00 -1.36 -2.10 115.15 117.92 3haj h HIS 36 Ca 0.25 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3haj h HIS 36 Cb 0.32 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 3haj h HIS 36 CO -0.21 0.71 0.10 -0.09 -0.00 0.00 0.00 177.93 178.44 3haj h ARG 37 N 0.42 0.25 0.00 5.26 2.43 -0.44 -2.91 114.38 119.38 3haj h ARG 37 Ca 0.06 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 3haj h ARG 37 Cb 0.69 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3haj h ARG 37 CO 0.05 0.23 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.10 3haj h LEU 38 N 0.19 0.00 -0.46 3.80 3.38 -0.11 -1.49 115.31 120.63 3haj h LEU 38 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3haj h LEU 38 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3haj h LEU 38 CO -0.01 0.58 0.30 0.00 0.09 0.00 0.00 178.44 179.40 3haj h SER 40 N 0.61 0.72 -0.13 0.00 0.02 -1.27 -1.23 113.55 112.27 3haj h SER 40 Ca 0.17 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3haj h SER 40 Cb -0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3haj h SER 40 CO -0.05 0.90 0.07 0.44 -1.14 0.00 0.00 176.83 177.05 3haj h ASP 41 N 0.53 0.11 -1.00 3.07 3.32 -1.12 0.32 116.42 121.65 3haj h ASP 41 Ca 0.10 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.24 3haj h ASP 41 Cb 0.56 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 3haj h ASP 41 CO 0.03 0.09 0.64 0.25 -1.72 0.00 0.00 179.24 178.53 3haj h LEU 42 N 0.15 0.99 -0.61 1.55 6.46 -0.58 0.35 115.31 123.63 3haj h LEU 42 Ca 0.05 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3haj h LEU 42 Cb 0.00 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3haj h LEU 42 CO -0.03 0.59 0.20 0.24 -0.62 0.00 0.00 178.44 178.82 3haj h MET 43 N 1.10 0.95 -0.22 1.25 2.86 -0.54 -2.27 114.93 118.05 3haj h MET 43 Ca 0.46 -0.20 -0.20 0.00 -2.06 0.00 0.00 59.70 57.70 3haj h MET 43 Cb 0.30 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.83 3haj h MET 43 CO -0.21 0.84 -0.65 -0.91 1.06 0.00 0.00 176.91 177.04 3haj h ASN 44 N 0.87 0.96 -0.26 1.22 -0.26 -0.11 -1.04 115.58 116.96 3haj h ASN 44 Ca 0.20 -0.58 0.06 0.00 -0.56 0.00 0.00 56.30 55.42 3haj h ASN 44 Cb 0.28 -0.28 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 3haj h ASN 44 CO -0.01 1.37 -0.40 0.00 -1.06 0.00 0.00 177.43 177.33 3haj h LEU 46 N -0.39 0.83 -0.63 0.00 3.38 -1.43 -2.70 115.31 114.37 3haj h LEU 46 Ca 0.11 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3haj h LEU 46 Cb 0.59 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3haj h LEU 46 CO -0.48 0.70 0.30 -0.74 0.09 0.00 0.00 178.44 178.32 3haj h HIS 47 N 0.90 0.55 -0.47 1.13 2.76 -0.22 -0.40 115.15 119.39 3haj h HIS 47 Ca 0.23 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3haj h HIS 47 Cb 0.06 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3haj h HIS 47 CO -0.00 0.22 0.01 0.93 -1.30 0.00 0.00 177.93 177.79 3haj h GLU 48 N 0.55 0.77 0.33 5.26 5.08 -0.81 -1.97 114.58 123.79 3haj h GLU 48 Ca 0.30 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3haj h GLU 48 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3haj h GLU 48 CO -0.23 0.77 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.30 3haj h ARG 49 N 0.72 -0.42 -0.61 2.33 9.65 -0.91 -0.91 114.38 124.22 3haj h ARG 49 Ca 0.14 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.17 3haj h ARG 49 Cb 0.42 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 29.01 3haj h ARG 49 CO 0.02 -0.26 0.14 0.00 2.80 0.00 0.00 179.97 182.67 3haj h ALA 50 N 0.19 0.73 -0.63 2.80 0.00 -0.99 0.48 119.26 121.85 3haj h ALA 50 Ca -0.04 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3haj h ALA 50 Cb 0.36 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3haj h ALA 50 CO 0.07 -0.30 0.35 -0.09 0.00 0.00 0.00 179.25 179.28 3haj h ARG 51 N 0.27 0.63 -0.73 0.00 2.43 -1.13 -0.07 114.38 115.79 3haj h ARG 51 Ca 0.32 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3haj h ARG 51 Cb 0.47 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3haj h ARG 51 CO -0.40 0.42 0.28 0.82 -1.51 0.00 0.00 179.97 179.58 3haj h ILE 52 N 0.65 1.25 -0.52 1.20 2.04 0.33 -2.12 117.51 120.35 3haj h ILE 52 Ca 0.28 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 3haj h ILE 52 Cb 0.16 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3haj h ILE 52 CO -0.17 0.32 0.04 -0.33 0.00 0.00 0.00 178.15 178.01 3haj h GLU 53 N 1.05 0.84 -0.33 2.37 4.39 -0.29 -2.86 114.58 119.75 3haj h GLU 53 Ca 0.24 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 3haj h GLU 53 Cb 0.22 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3haj h GLU 53 CO -0.02 0.81 -0.29 -0.22 -1.16 0.00 0.00 179.01 178.13 3haj h LYS 54 N 0.79 0.68 -0.47 2.33 3.64 -0.63 -2.61 116.57 120.30 3haj h LYS 54 Ca 0.16 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3haj h LYS 54 Cb 0.41 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3haj h LYS 54 CO 0.01 0.90 0.21 0.00 -2.27 0.00 0.00 179.45 178.30 3haj h ALA 55 N 1.09 0.61 0.00 5.00 0.00 -1.26 0.68 119.26 125.38 3haj h ALA 55 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3haj h ALA 55 Cb 0.80 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3haj h ALA 55 CO 0.07 0.19 -0.12 -0.92 0.00 0.00 0.00 179.25 178.47 3haj h TYR 56 N 0.62 0.00 0.04 0.00 3.20 -1.37 0.12 116.97 119.59 3haj h TYR 56 Ca 0.16 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.79 3haj h TYR 56 Cb 0.15 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3haj h TYR 56 CO -0.00 0.12 -1.16 0.00 -1.64 0.00 0.00 178.16 175.47 3haj h ALA 57 N 1.88 0.31 -0.11 1.82 0.00 -1.02 -2.23 119.26 119.92 3haj h ALA 57 Ca -0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 3haj h ALA 57 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3haj h ALA 57 CO 0.02 1.20 -0.13 0.37 0.00 0.00 0.00 179.25 180.71 3haj h GLN 58 N 0.02 0.27 -0.33 0.00 5.75 -0.09 -2.62 115.11 118.13 3haj h GLN 58 Ca -0.08 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3haj h GLN 58 Cb 1.86 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 30.40 3haj h GLN 58 CO 0.15 0.70 0.19 1.96 -2.65 0.00 0.00 178.83 179.18 3haj h GLN 59 N -0.14 0.44 -0.04 1.69 4.20 -0.87 -2.40 115.11 117.98 3haj h GLN 59 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3haj h GLN 59 Cb 0.66 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3haj h GLN 59 CO 0.03 0.32 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.42 3haj h LEU 60 N 0.45 0.09 -0.81 1.46 3.38 -1.29 -2.13 115.31 116.46 3haj h LEU 60 Ca 0.12 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 3haj h LEU 60 Cb -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3haj h LEU 60 CO -0.02 0.45 -0.57 0.71 0.09 0.00 0.00 178.44 179.09 3haj h THR 61 N -0.27 1.40 -0.13 0.22 1.35 -1.39 -1.35 112.91 112.74 3haj h THR 61 Ca 0.01 -1.95 -0.03 0.00 -0.55 0.00 0.00 66.41 63.89 3haj h THR 61 Cb 0.41 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3haj h THR 61 CO 0.00 0.56 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.46 3haj h GLU 62 N 0.05 0.26 -0.98 4.72 5.08 -1.46 0.14 114.58 122.39 3haj h GLU 62 Ca -0.00 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3haj h GLU 62 Cb 1.03 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 3haj h GLU 62 CO 0.08 0.58 0.63 2.35 -1.00 0.00 0.00 179.01 181.65 3haj h TRP 63 N -0.07 1.18 -0.02 4.33 7.01 -1.30 0.19 115.95 127.27 3haj h TRP 63 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3haj h TRP 63 Cb 0.49 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 3haj h TRP 63 CO 0.06 0.64 -0.01 0.00 -2.79 0.00 0.00 178.44 176.34 3haj h ALA 64 N 1.42 0.03 -0.21 2.65 0.00 -1.08 -1.51 119.26 120.55 3haj h ALA 64 Ca 0.41 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3haj h ALA 64 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3haj h ALA 64 CO -0.15 -0.26 -0.23 0.07 0.00 0.00 0.00 179.25 178.68 3haj h ARG 65 N -0.35 0.39 -0.02 0.00 0.11 -0.59 0.32 114.38 114.23 3haj h ARG 65 Ca 0.00 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 3haj h ARG 65 Cb 0.42 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 3haj h ARG 65 CO 0.00 0.60 0.01 -0.09 0.10 0.00 0.00 179.97 180.59 3haj h ARG 66 N 0.35 0.03 0.00 0.08 2.43 -0.55 -3.01 114.38 113.70 3haj h ARG 66 Ca 0.06 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3haj h ARG 66 Cb 0.60 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3haj h ARG 66 CO 0.04 0.11 -1.19 -1.49 -1.51 0.00 0.00 179.97 175.93 3haj h TRP 67 N -0.06 0.00 -0.88 2.20 4.06 -1.05 -2.43 115.95 117.79 3haj h TRP 67 Ca 0.01 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.98 3haj h TRP 67 Cb 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.20 3haj h TRP 67 CO -0.05 0.60 0.58 -0.09 -3.56 0.00 0.00 178.44 175.92 3haj h ARG 68 N 0.00 1.09 -0.07 0.49 2.43 -0.44 -0.63 114.38 117.25 3haj h ARG 68 Ca -0.12 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 3haj h ARG 68 Cb 1.57 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3haj h ARG 68 CO 0.06 0.72 -0.34 0.37 -1.51 0.00 0.00 179.97 179.27 3haj h GLN 69 N 1.13 0.36 -0.51 0.20 4.15 -1.52 -2.81 115.11 116.12 3haj h GLN 69 Ca 0.34 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3haj h GLN 69 Cb -0.03 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3haj h GLN 69 CO -0.09 0.93 0.20 -0.07 -1.93 0.00 0.00 178.83 177.86 3haj h LEU 70 N -0.12 0.66 -0.29 -2.39 3.38 -1.19 -1.10 115.31 114.26 3haj h LEU 70 Ca -0.02 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 3haj h LEU 70 Cb 0.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3haj h LEU 70 CO 0.07 0.61 -0.68 0.58 0.09 0.00 0.00 178.44 179.10 3haj h VAL 71 N 0.72 1.30 -0.25 1.22 2.07 -1.19 -1.75 116.25 118.38 3haj h VAL 71 Ca 0.17 -1.92 -0.14 0.00 0.82 0.00 0.00 66.70 65.63 3haj h VAL 71 Cb 0.15 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3haj h VAL 71 CO -0.02 0.61 -0.44 -0.33 0.02 0.00 0.00 177.57 177.41 3haj h GLU 72 N 0.51 0.61 0.00 1.57 5.08 -1.17 -2.99 114.58 118.20 3haj h GLU 72 Ca -0.02 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 57.82 3haj h GLU 72 Cb 1.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3haj h GLU 72 CO 0.14 0.93 -0.87 0.87 -1.00 0.00 0.00 179.01 179.08 3haj h LYS 73 N 0.50 0.05 -7.14 2.33 1.57 -1.27 -3.47 116.57 109.14 3haj h LYS 73 Ca 0.03 -0.06 -0.40 0.00 -1.87 0.00 0.00 60.65 58.36 3haj h LYS 73 Cb 0.96 0.02 0.21 0.00 0.08 0.00 0.00 32.23 33.50 3haj h LYS 73 CO 0.09 0.88 -0.04 0.20 -0.57 0.00 0.00 179.45 180.01 3haj s GLY 74 N -4.59 1.47 0.18 3.86 0.00 -0.66 -4.92 107.32 102.64 3haj s GLY 74 Ca -0.01 -0.80 0.24 0.00 0.00 0.00 0.00 44.72 44.16 3haj s GLY 74 CO 0.81 0.16 1.73 -1.05 0.00 0.00 0.00 173.10 174.74 3haj n PRO 75 N -5.36 0.17 -2.27 2.90 -0.02 -1.26 -4.81 135.00 124.35 3haj n PRO 75 Ca 0.12 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 3haj n PRO 75 Cb 0.59 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 3haj n PRO 75 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3haj s GLN 76 N -3.16 4.02 0.39 -0.52 -1.52 -1.26 -5.01 119.66 112.60 3haj s GLN 76 Ca 0.08 1.63 0.04 0.00 -1.95 0.00 0.00 55.36 55.16 3haj s GLN 76 Cb 0.12 -3.90 -0.04 0.00 -0.22 0.00 0.00 33.01 28.96 3haj s GLN 76 CO 0.46 -1.00 0.08 0.71 -0.25 0.00 0.00 175.29 175.29 3haj s TYR 77 N 4.29 1.89 0.00 0.91 1.51 -1.26 -4.70 117.35 119.98 3haj s TYR 77 Ca 0.63 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3haj s TYR 77 Cb -0.23 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 3haj s TYR 77 CO 0.23 -0.09 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 3haj n GLY 78 N -0.87 0.36 0.10 0.71 0.00 -1.26 -3.79 105.19 100.43 3haj n GLY 78 Ca -0.06 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.18 3haj n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3haj n THR 79 N 0.00 0.89 0.07 2.61 5.66 -1.26 -3.59 114.28 118.66 3haj n THR 79 Ca 0.00 -0.63 -0.11 0.00 -3.05 0.00 0.00 64.05 60.26 3haj n THR 79 Cb 0.00 -0.52 -0.13 0.00 -1.55 0.00 0.00 70.33 68.13 3haj n THR 79 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3haj h VAL 80 N 0.00 1.57 -0.53 1.08 2.07 -1.90 -3.09 116.25 115.45 3haj h VAL 80 Ca -0.10 -3.23 0.01 0.00 0.82 0.00 0.00 66.70 64.20 3haj h VAL 80 Cb 1.34 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 3haj h VAL 80 CO 0.02 0.92 0.35 -0.08 0.02 0.00 0.00 177.57 178.80 3haj h GLU 81 N 0.03 0.66 0.14 1.57 4.81 -1.67 -2.70 114.58 117.43 3haj h GLU 81 Ca -0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3haj h GLU 81 Cb 1.87 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3haj h GLU 81 CO 0.16 0.44 -0.07 0.87 -0.73 0.00 0.00 179.01 179.67 3haj h LYS 82 N 0.68 -0.18 -1.03 1.92 1.57 -1.61 -2.79 116.57 115.13 3haj h LYS 82 Ca 0.20 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.25 3haj h LYS 82 Cb -0.02 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.23 3haj h LYS 82 CO -0.05 0.22 0.66 0.00 -0.57 0.00 0.00 179.45 179.71 3haj h ALA 83 N 0.10 2.16 -0.38 3.86 0.00 -1.45 0.39 119.26 123.93 3haj h ALA 83 Ca -0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3haj h ALA 83 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3haj h ALA 83 CO 0.03 -0.57 -0.27 2.35 0.00 0.00 0.00 179.25 180.79 3haj h TRP 84 N 0.43 0.93 -0.32 0.00 2.91 -1.37 -3.09 115.95 115.44 3haj h TRP 84 Ca 0.59 -0.23 -0.10 0.00 1.13 0.00 0.00 58.89 60.28 3haj h TRP 84 Cb 1.44 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.87 3haj h TRP 84 CO -0.00 0.98 -0.21 0.52 -1.03 0.00 0.00 178.44 178.70 3haj h MET 85 N 0.69 0.70 -1.40 2.65 0.00 -0.69 -1.94 114.93 114.95 3haj h MET 85 Ca 0.08 -0.33 0.41 0.00 0.00 0.00 0.00 59.70 59.86 3haj h MET 85 Cb 0.80 -0.01 -0.06 0.00 0.00 0.00 0.00 31.60 32.34 3haj h MET 85 CO 0.07 0.94 1.13 0.00 0.00 0.00 0.00 176.91 179.05 3haj h ALA 86 N 0.75 3.30 0.31 6.32 0.00 -1.19 0.23 119.26 128.97 3haj h ALA 86 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3haj h ALA 86 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3haj h ALA 86 CO 0.06 -1.85 -0.15 0.35 0.00 0.00 0.00 179.25 177.66 3haj h PHE 87 N 0.00 -0.38 -0.64 0.00 3.57 -1.34 -2.36 116.94 115.78 3haj h PHE 87 Ca 0.67 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.27 3haj h PHE 87 Cb 2.92 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 41.75 3haj h PHE 87 CO 0.00 -0.04 0.43 0.52 -2.23 0.00 0.00 178.31 177.00 3haj h MET 88 N -0.86 0.37 -0.55 1.11 2.86 -0.68 -1.61 114.93 115.56 3haj h MET 88 Ca -0.04 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3haj h MET 88 Cb 0.52 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3haj h MET 88 CO 0.07 0.25 0.23 0.77 1.06 0.00 0.00 176.91 179.29 3haj h SER 89 N 0.38 0.72 0.32 1.22 0.02 -0.68 -2.28 113.55 113.25 3haj h SER 89 Ca 0.30 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 3haj h SER 89 Cb 0.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3haj h SER 89 CO -0.08 0.64 -0.67 1.05 -1.14 0.00 0.00 176.83 176.62 3haj h GLU 90 N 0.78 0.32 0.00 3.45 -0.00 -0.76 -0.97 114.58 117.40 3haj h GLU 90 Ca 0.19 -0.24 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 3haj h GLU 90 Cb 0.14 0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 28.93 3haj h GLU 90 CO -0.02 0.87 -0.04 0.00 -0.00 0.00 0.00 179.01 179.82 3haj h ALA 91 N 1.06 1.59 0.11 1.06 0.00 -1.16 0.76 119.26 122.68 3haj h ALA 91 Ca -0.02 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 3haj h ALA 91 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3haj h ALA 91 CO 0.11 0.06 -1.66 0.93 0.00 0.00 0.00 179.25 178.69 3haj h GLU 92 N 0.00 0.23 -0.33 0.00 5.08 -0.92 -2.21 114.58 116.43 3haj h GLU 92 Ca -0.00 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 3haj h GLU 92 Cb 0.10 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3haj h GLU 92 CO 0.01 1.06 -0.20 0.00 -1.00 0.00 0.00 179.01 178.87 3haj h ARG 93 N 0.06 0.71 -0.19 2.33 2.47 -0.89 -1.78 114.38 117.10 3haj h ARG 93 Ca -0.29 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.04 3haj h ARG 93 Cb 2.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.32 3haj h ARG 93 CO 0.14 0.94 -0.15 0.28 0.56 0.00 0.00 179.97 181.73 3haj h VAL 94 N 0.48 1.21 -0.35 2.04 2.07 -0.97 -2.29 116.25 118.43 3haj h VAL 94 Ca 0.07 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3haj h VAL 94 Cb 0.75 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3haj h VAL 94 CO 0.06 0.29 -0.04 -1.28 0.02 0.00 0.00 177.57 176.61 3haj h SER 95 N 0.29 0.64 0.03 0.57 0.87 -1.20 -2.71 113.55 112.04 3haj h SER 95 Ca 0.06 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3haj h SER 95 Cb 0.45 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3haj h SER 95 CO 0.03 0.83 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.70 3haj h GLU 96 N 0.45 0.22 0.09 2.24 5.08 -1.06 -1.01 114.58 120.59 3haj h GLU 96 Ca 0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3haj h GLU 96 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3haj h GLU 96 CO 0.03 0.36 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.28 3haj h LEU 97 N 0.21 -0.10 -1.52 1.33 3.38 -1.26 -2.39 115.31 114.96 3haj h LEU 97 Ca 0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3haj h LEU 97 Cb 0.36 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3haj h LEU 97 CO 0.02 0.24 -0.08 0.45 0.09 0.00 0.00 178.44 179.16 3haj h HIS 98 N -0.46 0.00 -0.02 1.13 3.86 -1.39 -1.14 115.15 117.14 3haj h HIS 98 Ca -0.01 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 3haj h HIS 98 Cb 0.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3haj h HIS 98 CO 0.04 0.08 -0.55 1.25 0.86 0.00 0.00 177.93 179.61 3haj h LEU 99 N 0.00 0.06 0.00 2.43 7.12 -1.02 -2.64 115.31 121.26 3haj h LEU 99 Ca -0.00 -0.03 -0.23 0.00 0.13 0.00 0.00 57.88 57.74 3haj h LEU 99 Cb 0.52 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 3haj h LEU 99 CO 0.01 0.59 -1.30 -0.08 -0.13 0.00 0.00 178.44 177.54 3haj h GLU 100 N 0.04 0.00 -0.61 1.25 4.57 -0.83 -1.78 114.58 117.21 3haj h GLU 100 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3haj h GLU 100 Cb 0.98 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 3haj h GLU 100 CO 0.07 0.70 0.31 0.28 -1.18 0.00 0.00 179.01 179.19 3haj h VAL 101 N 0.00 0.91 -0.04 0.32 2.07 -1.15 0.10 116.25 118.47 3haj h VAL 101 Ca -0.14 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3haj h VAL 101 Cb 1.83 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3haj h VAL 101 CO 0.10 0.10 -0.03 0.50 0.02 0.00 0.00 177.57 178.26 3haj h LYS 102 N 0.56 0.10 -0.91 1.57 3.64 -1.48 -2.07 116.57 117.99 3haj h LYS 102 Ca 0.28 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.76 3haj h LYS 102 Cb 0.23 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 3haj h LYS 102 CO -0.21 0.53 0.51 0.00 -2.27 0.00 0.00 179.45 178.02 3haj h ALA 103 N 0.57 1.39 -0.21 5.00 0.00 -1.07 -1.67 119.26 123.26 3haj h ALA 103 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3haj h ALA 103 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3haj h ALA 103 CO 0.01 0.01 -0.07 0.77 0.00 0.00 0.00 179.25 179.96 3haj h SER 104 N 0.75 0.43 -0.56 0.00 0.02 -0.72 0.16 113.55 113.63 3haj h SER 104 Ca 0.48 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3haj h SER 104 Cb 0.63 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 3haj h SER 104 CO -0.33 0.72 0.31 -0.07 -1.14 0.00 0.00 176.83 176.32 3haj h LEU 105 N 0.14 0.72 0.00 5.07 3.38 -0.76 -1.42 115.31 122.44 3haj h LEU 105 Ca 0.05 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3haj h LEU 105 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3haj h LEU 105 CO 0.03 0.59 -1.18 0.24 0.09 0.00 0.00 178.44 178.21 3haj h MET 106 N 0.82 0.01 -0.51 1.13 2.86 -1.29 0.30 114.93 118.24 3haj h MET 106 Ca 0.21 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 3haj h MET 106 Cb 0.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3haj h MET 106 CO -0.03 1.01 -0.02 -0.91 1.06 0.00 0.00 176.91 178.01 3haj h ASN 107 N -0.97 0.85 0.00 1.22 2.35 -0.72 -3.04 115.58 115.27 3haj h ASN 107 Ca -0.32 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 3haj h ASN 107 Cb 1.30 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3haj h ASN 107 CO -0.18 0.93 0.00 0.47 -1.65 0.00 0.00 177.43 176.99 3haj n ASP 108 N -4.19 0.00 0.23 5.81 8.00 -0.55 -4.55 116.55 121.30 3haj n ASP 108 Ca 0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 3haj n ASP 108 Cb 0.33 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3haj n ASP 108 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3haj h ASP 109 N 0.00 -0.58 -0.57 -2.24 3.32 -1.51 -1.10 116.42 113.74 3haj h ASP 109 Ca 0.00 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.19 3haj h ASP 109 Cb 0.00 0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.60 3haj h ASP 109 CO 0.00 -0.38 -0.24 0.15 -1.72 0.00 0.00 179.24 177.05 3haj h PHE 110 N -0.62 -0.61 -0.83 4.55 3.04 -0.54 -0.03 116.94 121.90 3haj h PHE 110 Ca -0.06 0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.97 3haj h PHE 110 Cb 0.49 0.36 -0.05 0.00 2.56 0.00 0.00 35.95 39.31 3haj h PHE 110 CO 0.07 -0.33 0.54 0.93 -2.02 0.00 0.00 178.31 177.50 3haj h GLU 111 N -0.10 1.04 -0.69 1.11 4.39 -1.54 -1.14 114.58 117.65 3haj h GLU 111 Ca 0.26 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.98 3haj h GLU 111 Cb 0.50 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3haj h GLU 111 CO -0.64 0.69 0.46 -0.22 -1.16 0.00 0.00 179.01 178.14 3haj h LYS 112 N 1.07 0.59 0.09 2.33 3.64 0.34 0.17 116.57 124.80 3haj h LYS 112 Ca 0.32 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.51 3haj h LYS 112 Cb -0.06 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3haj h LYS 112 CO -0.09 0.39 -0.66 0.82 -2.27 0.00 0.00 179.45 177.64 3haj h ILE 113 N 0.61 1.52 -0.94 2.00 2.04 -0.89 -2.47 117.51 119.38 3haj h ILE 113 Ca 0.31 -2.38 0.16 0.00 1.00 0.00 0.00 64.86 63.96 3haj h ILE 113 Cb 0.42 3.06 -0.10 0.00 -0.74 0.00 0.00 36.82 39.46 3haj h ILE 113 CO -0.10 0.67 0.54 0.50 0.00 0.00 0.00 178.15 179.75 3haj h LYS 114 N -0.37 0.71 0.02 2.37 3.64 -0.53 -0.47 116.57 121.93 3haj h LYS 114 Ca -0.11 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 58.99 3haj h LYS 114 Cb 1.47 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3haj h LYS 114 CO 0.13 0.47 -1.00 -0.91 -2.27 0.00 0.00 179.45 175.87 3haj h ASN 115 N 0.73 0.59 -0.55 4.20 2.35 -1.04 -2.91 115.58 118.95 3haj h ASN 115 Ca 0.52 -0.49 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3haj h ASN 115 Cb 0.74 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3haj h ASN 115 CO -0.36 1.30 0.14 -0.25 -1.65 0.00 0.00 177.43 176.60 3haj h TRP 116 N 0.24 0.92 -0.54 1.19 7.01 -0.92 -2.46 115.95 121.39 3haj h TRP 116 Ca -0.10 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 60.85 3haj h TRP 116 Cb 1.64 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 28.39 3haj h TRP 116 CO 0.07 0.79 0.27 0.37 -2.79 0.00 0.00 178.44 177.15 3haj h GLN 117 N 0.78 0.50 0.00 2.65 4.15 -1.13 0.81 115.11 122.86 3haj h GLN 117 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 3haj h GLN 117 Cb 0.34 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3haj h GLN 117 CO 0.00 0.33 -0.16 0.87 -1.93 0.00 0.00 178.83 177.94 3haj h LYS 118 N 0.51 0.00 0.00 1.69 1.57 -1.30 0.11 116.57 119.15 3haj h LYS 118 Ca 0.24 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 3haj h LYS 118 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3haj h LYS 118 CO -0.18 0.16 -1.32 0.39 -0.57 0.00 0.00 179.45 177.94 3haj n GLU 119 N -3.89 0.62 -0.08 3.15 -0.58 -0.67 -4.36 120.64 114.83 3haj n GLU 119 Ca -0.02 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 3haj n GLU 119 Cb 0.26 -1.79 -0.14 0.00 -0.57 0.00 0.00 31.44 29.19 3haj n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3haj n ALA 120 N -2.32 1.38 -2.84 0.62 0.00 0.19 -4.92 120.51 112.63 3haj n ALA 120 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 53.44 52.01 3haj n ALA 120 Cb 0.72 -0.35 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 3haj n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3haj s PHE 121 N -2.53 2.52 -0.33 0.00 0.08 0.35 -4.93 117.98 113.15 3haj s PHE 121 Ca -0.19 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.15 3haj s PHE 121 Cb 0.07 -1.65 0.10 0.00 -0.57 0.00 0.00 43.02 40.98 3haj s PHE 121 CO 0.74 -0.22 0.06 -1.01 -0.10 0.00 0.00 175.22 174.69 3haj s HIS 122 N -0.06 3.03 0.04 0.36 3.76 -1.26 -4.46 115.29 116.71 3haj s HIS 122 Ca -0.06 -2.54 -0.36 0.00 -0.15 0.00 0.00 55.06 51.95 3haj s HIS 122 Cb -0.15 -2.47 -0.15 0.00 1.11 0.00 0.00 32.58 30.92 3haj s HIS 122 CO 0.05 -0.92 1.53 1.63 -0.85 0.00 0.00 174.74 176.18 3haj n LYS 123 N 4.46 1.59 -2.44 1.40 5.02 -1.26 -2.33 118.16 124.61 3haj n LYS 123 Ca 0.01 0.58 -0.25 0.00 -2.02 0.00 0.00 58.31 56.63 3haj n LYS 123 Cb 0.42 -2.29 0.14 0.00 -0.02 0.00 0.00 35.03 33.29 3haj n LYS 123 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3haj s GLN 124 N 1.45 1.21 0.00 1.97 -0.21 0.15 -4.86 119.66 119.38 3haj s GLN 124 Ca 0.85 -1.05 -0.12 0.00 0.02 0.00 0.00 55.36 55.06 3haj s GLN 124 Cb -0.85 -2.19 -0.33 0.00 1.00 0.00 0.00 33.01 30.64 3haj s GLN 124 CO 0.47 -1.84 0.89 1.98 -2.12 0.00 0.00 175.29 174.66 3haj h MET 125 N -0.92 0.45 0.53 2.91 4.05 -1.93 -3.42 114.93 116.60 3haj h MET 125 Ca -0.37 -0.77 -0.03 0.00 -0.28 0.00 0.00 59.70 58.26 3haj h MET 125 Cb 1.25 0.29 0.01 0.00 -0.80 0.00 0.00 31.60 32.34 3haj h MET 125 CO 0.36 1.36 -0.26 1.98 0.23 0.00 0.00 176.91 180.58 3haj h MET 126 N 0.12 -0.69 0.00 0.39 -1.53 -2.03 -3.48 114.93 107.72 3haj h MET 126 Ca -0.28 0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.03 3haj h MET 126 Cb 2.12 0.16 0.00 0.00 -0.55 0.00 0.00 31.60 33.33 3haj h MET 126 CO 0.23 -0.46 0.00 0.41 0.14 0.00 0.00 176.91 177.23 3haj n GLY 127 N -0.37 3.80 0.00 1.39 0.00 -1.26 -5.22 105.19 103.52 3haj n GLY 127 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3haj n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3haj n GLY 128 N -1.21 0.58 3.44 -0.02 0.00 -1.26 -4.57 105.19 102.15 3haj n GLY 128 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3haj n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3haj s PHE 129 N 3.45 2.94 0.59 1.61 0.40 -1.26 0.34 117.98 126.04 3haj s PHE 129 Ca 0.00 -0.45 0.32 0.00 -0.60 0.00 0.00 56.93 56.19 3haj s PHE 129 Cb 0.00 -1.92 1.32 0.00 0.51 0.00 0.00 43.02 42.93 3haj s PHE 129 CO 0.00 -0.12 1.64 -0.22 0.70 0.00 0.00 175.22 177.22 3haj h LYS 130 N 6.76 0.00 0.09 0.44 3.64 -1.80 -0.47 116.57 125.24 3haj h LYS 130 Ca -0.29 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 3haj h LYS 130 Cb 1.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3haj h LYS 130 CO 0.60 0.00 -0.63 1.05 -2.27 0.00 0.00 179.45 178.20 3haj h GLU 131 N 0.00 0.19 -0.69 1.90 9.09 -1.91 -2.86 114.58 120.30 3haj h GLU 131 Ca 0.44 -0.33 -0.05 0.00 0.05 0.00 0.00 59.36 59.47 3haj h GLU 131 Cb 2.22 0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 29.41 3haj h GLU 131 CO -0.00 1.16 0.22 1.79 0.05 0.00 0.00 179.01 182.23 3haj h THR 132 N -0.58 1.25 -0.90 -1.06 1.35 -1.55 -2.42 112.91 109.00 3haj h THR 132 Ca -0.12 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3haj h THR 132 Cb 1.44 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 3haj h THR 132 CO 0.08 0.33 0.57 0.50 -0.25 0.00 0.00 175.52 176.75 3haj h LYS 133 N 1.01 1.20 -0.04 4.72 1.63 -1.25 -1.84 116.57 121.99 3haj h LYS 133 Ca 0.23 -0.09 -0.14 0.00 -0.85 0.00 0.00 60.65 59.80 3haj h LYS 133 Cb 0.27 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3haj h LYS 133 CO -0.01 0.82 -0.59 0.93 -3.45 0.00 0.00 179.45 177.15 3haj h GLU 134 N 1.23 0.15 -0.31 1.90 5.08 -1.21 -2.50 114.58 118.91 3haj h GLU 134 Ca 0.33 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 3haj h GLU 134 Cb -0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3haj h GLU 134 CO -0.07 0.69 -0.49 0.00 -1.00 0.00 0.00 179.01 178.15 3haj h ALA 135 N 1.28 0.47 0.23 3.43 0.00 -1.08 -2.19 119.26 121.41 3haj h ALA 135 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3haj h ALA 135 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3haj h ALA 135 CO 0.09 0.65 -0.25 1.49 0.00 0.00 0.00 179.25 181.22 3haj h GLU 136 N 0.66 -0.50 -0.59 0.00 4.57 -1.23 -1.68 114.58 115.80 3haj h GLU 136 Ca 0.03 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3haj h GLU 136 Cb 1.09 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 3haj h GLU 136 CO 0.11 -0.34 0.28 -0.44 -1.18 0.00 0.00 179.01 177.44 3haj h ASP 137 N -0.52 0.76 -0.59 1.04 3.32 -1.47 0.11 116.42 119.07 3haj h ASP 137 Ca 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 3haj h ASP 137 Cb 0.49 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3haj h ASP 137 CO -0.07 0.65 -0.02 1.23 -1.72 0.00 0.00 179.24 179.31 3haj h GLY 138 N 0.93 1.13 0.55 2.75 0.00 -1.19 -1.58 103.07 105.67 3haj h GLY 138 Ca 0.21 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3haj h GLY 138 CO -0.03 0.78 -0.05 0.74 0.00 0.00 0.00 176.54 177.98 3haj h PHE 139 N 0.94 0.12 -0.78 5.60 0.04 -0.93 -2.74 116.94 119.19 3haj h PHE 139 Ca 0.16 -0.04 0.16 0.00 2.80 0.00 0.00 57.97 61.05 3haj h PHE 139 Cb 0.57 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.60 3haj h PHE 139 CO 0.04 0.60 0.29 -0.09 -0.60 0.00 0.00 178.31 178.55 3haj h ARG 140 N -0.39 0.39 -0.36 1.51 2.43 -0.73 -0.53 114.38 116.71 3haj h ARG 140 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3haj h ARG 140 Cb 0.58 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3haj h ARG 140 CO 0.01 0.26 0.02 0.87 -1.51 0.00 0.00 179.97 179.62 3haj h LYS 141 N 0.40 0.62 -0.98 0.20 1.57 -1.31 0.30 116.57 117.37 3haj h LYS 141 Ca 0.44 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3haj h LYS 141 Cb 0.71 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 3haj h LYS 141 CO -0.45 0.72 0.65 0.00 -0.57 0.00 0.00 179.45 179.80 3haj h ALA 142 N 0.88 1.33 0.06 3.86 0.00 -0.92 -2.86 119.26 121.60 3haj h ALA 142 Ca 0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3haj h ALA 142 Cb 0.42 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3haj h ALA 142 CO 0.01 0.61 -1.21 1.96 0.00 0.00 0.00 179.25 180.62 3haj h GLN 143 N 1.29 0.13 -0.97 0.00 4.20 -1.05 -3.40 115.11 115.32 3haj h GLN 143 Ca 0.37 -0.22 0.16 0.00 0.06 0.00 0.00 58.65 59.02 3haj h GLN 143 Cb -0.09 0.08 -0.16 0.00 0.30 0.00 0.00 27.48 27.61 3haj h GLN 143 CO -0.10 1.05 -0.35 1.17 -0.67 0.00 0.00 178.83 179.94 3haj n LYS 144 N -3.40 -0.20 -0.10 1.46 4.81 0.09 0.47 118.16 121.29 3haj n LYS 144 Ca -0.07 1.49 -0.02 0.00 -0.87 0.00 0.00 58.31 58.84 3haj n LYS 144 Cb 0.99 -2.21 0.22 0.00 0.02 0.00 0.00 35.03 34.05 3haj n LYS 144 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3haj h PRO 145 N 0.00 0.76 -0.02 1.64 0.11 -1.77 -2.78 132.00 129.95 3haj h PRO 145 Ca 0.36 -0.15 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 3haj h PRO 145 Cb 0.60 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3haj h PRO 145 CO -0.97 0.70 -0.79 2.35 -0.21 0.00 0.00 178.00 179.08 3haj h TRP 146 N 0.73 0.29 -0.08 0.65 7.01 -0.21 -2.98 115.95 121.37 3haj h TRP 146 Ca 0.16 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.84 3haj h TRP 146 Cb 0.29 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 3haj h TRP 146 CO 0.02 0.91 -0.70 0.00 -2.79 0.00 0.00 178.44 175.88 3haj h ALA 147 N 1.04 0.65 -0.51 2.65 0.00 -0.79 -2.09 119.26 120.22 3haj h ALA 147 Ca -0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 3haj h ALA 147 Cb 1.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3haj h ALA 147 CO 0.12 0.76 -0.18 -0.22 0.00 0.00 0.00 179.25 179.73 3haj h LYS 148 N 0.25 1.01 -0.54 0.00 3.64 -1.50 0.19 116.57 119.63 3haj h LYS 148 Ca -0.02 -0.42 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 3haj h LYS 148 Cb 1.26 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3haj h LYS 148 CO 0.12 1.10 -0.12 0.87 -2.27 0.00 0.00 179.45 179.15 3haj h LYS 149 N 0.88 1.02 -0.51 1.90 1.79 -1.47 -0.73 116.57 119.45 3haj h LYS 149 Ca 0.12 -0.38 0.03 0.00 -2.18 0.00 0.00 60.65 58.24 3haj h LYS 149 Cb 0.76 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 3haj h LYS 149 CO 0.06 1.07 0.30 1.25 -1.08 0.00 0.00 179.45 181.05 3haj h LEU 150 N 0.91 0.47 -0.96 2.94 6.46 -1.23 0.53 115.31 124.44 3haj h LEU 150 Ca 0.14 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.08 3haj h LEU 150 Cb 0.69 -0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 3haj h LEU 150 CO 0.05 0.33 0.56 0.11 -0.62 0.00 0.00 178.44 178.87 3haj h LYS 151 N 0.59 0.73 -0.13 1.25 1.79 -0.13 0.42 116.57 121.08 3haj h LYS 151 Ca 0.21 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.51 3haj h LYS 151 Cb 0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3haj h LYS 151 CO -0.11 0.48 -0.40 0.93 -1.08 0.00 0.00 179.45 179.28 3haj h GLU 152 N 0.75 0.50 -0.77 3.15 3.07 -0.21 -3.22 114.58 117.85 3haj h GLU 152 Ca 0.53 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 3haj h GLU 152 Cb 0.77 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 3haj h GLU 152 CO -0.36 0.99 0.34 0.28 -1.40 0.00 0.00 179.01 178.86 3haj h VAL 153 N 0.11 1.25 -0.04 3.13 2.07 0.13 -1.80 116.25 121.12 3haj h VAL 153 Ca -0.01 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3haj h VAL 153 Cb 1.02 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3haj h VAL 153 CO 0.09 0.31 -0.40 -0.08 0.02 0.00 0.00 177.57 177.51 3haj h GLU 154 N 1.10 0.08 -0.23 1.57 4.57 -0.34 -0.74 114.58 120.60 3haj h GLU 154 Ca 0.26 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.28 3haj h GLU 154 Cb 0.16 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3haj h GLU 154 CO -0.03 0.47 -0.39 0.00 -1.18 0.00 0.00 179.01 177.88 3haj h ALA 155 N 1.53 0.89 0.32 2.92 0.00 -1.48 -2.62 119.26 120.81 3haj h ALA 155 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3haj h ALA 155 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3haj h ALA 155 CO 0.05 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 3haj h ALA 156 N 1.13 -0.43 -0.30 0.00 0.00 -0.31 -1.83 119.26 117.52 3haj h ALA 156 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3haj h ALA 156 Cb 0.88 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3haj h ALA 156 CO 0.08 -0.72 -0.29 0.87 0.00 0.00 0.00 179.25 179.19 3haj h LYS 157 N -0.49 0.61 0.09 0.00 1.57 -1.35 -3.07 116.57 113.94 3haj h LYS 157 Ca -0.04 -0.26 -0.26 0.00 -1.87 0.00 0.00 60.65 58.22 3haj h LYS 157 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3haj h LYS 157 CO 0.07 0.83 -1.17 1.57 -0.57 0.00 0.00 179.45 180.19 3haj h LYS 158 N 0.52 0.24 -0.24 3.15 2.10 -1.45 0.10 116.57 121.00 3haj h LYS 158 Ca 0.07 -0.39 -0.06 0.00 -2.00 0.00 0.00 60.65 58.27 3haj h LYS 158 Cb 0.77 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.23 3haj h LYS 158 CO 0.06 1.17 -0.09 0.00 -2.00 0.00 0.00 179.45 178.59 3haj h ALA 159 N 0.67 0.33 -0.26 0.07 0.00 -1.40 -2.76 119.26 115.91 3haj h ALA 159 Ca -0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3haj h ALA 159 Cb 1.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3haj h ALA 159 CO 0.19 0.16 -0.44 1.25 0.00 0.00 0.00 179.25 180.41 3haj h HIS 160 N 0.21 0.80 0.00 0.00 -0.00 -1.56 -1.38 115.15 113.22 3haj h HIS 160 Ca 0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 3haj h HIS 160 Cb 0.57 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 3haj h HIS 160 CO 0.06 0.98 0.03 0.45 -0.00 0.00 0.00 177.93 179.45 3haj h HIS 161 N 0.54 0.00 0.00 5.26 -0.00 -0.89 1.28 115.15 121.33 3haj h HIS 161 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3haj h HIS 161 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3haj h HIS 161 CO 0.05 0.00 -1.48 0.00 -0.00 0.00 0.00 177.93 176.49 3haj n ALA 162 N -1.80 3.61 0.10 2.45 0.00 -0.76 -3.28 120.51 120.84 3haj n ALA 162 Ca -0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 3haj n ALA 162 Cb 0.06 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 3haj n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haj h ALA 163 N 2.44 0.05 -0.06 0.00 0.00 0.23 -3.05 119.26 118.88 3haj h ALA 163 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 54.91 53.71 3haj h ALA 163 Cb 0.78 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3haj h ALA 163 CO 0.00 0.92 -0.79 0.00 0.00 0.00 0.00 179.25 179.38 3haj n LYS 165 N -3.81 0.14 -0.00 0.00 0.00 -1.21 -2.14 118.16 111.14 3haj n LYS 165 Ca -0.05 0.17 0.01 0.00 0.00 0.00 0.00 58.31 58.44 3haj n LYS 165 Cb 0.75 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 34.29 3haj n LYS 165 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3haj n GLU 166 N -1.23 -0.34 -0.08 1.64 4.07 -0.69 -3.97 120.64 120.04 3haj n GLU 166 Ca 0.04 -0.74 -0.18 0.00 -0.06 0.00 0.00 57.16 56.23 3haj n GLU 166 Cb 0.06 -1.05 -0.13 0.00 -0.06 0.00 0.00 31.44 30.26 3haj n GLU 166 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3haj n GLU 167 N 0.11 0.68 0.23 5.31 1.02 -0.91 -4.36 120.64 122.73 3haj n GLU 167 Ca 0.02 0.17 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 3haj n GLU 167 Cb 0.08 -1.59 0.57 0.00 -0.02 0.00 0.00 31.44 30.49 3haj n GLU 167 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3haj h LYS 168 N 0.02 0.00 -0.04 3.49 3.11 -1.73 -2.39 116.57 119.02 3haj h LYS 168 Ca -0.52 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.23 3haj h LYS 168 Cb 1.97 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.19 3haj h LYS 168 CO -0.02 0.21 -0.38 1.37 -2.81 0.00 0.00 179.45 177.82 3haj h LEU 169 N 0.00 0.09 0.00 5.20 -0.00 -1.76 -2.90 115.31 115.94 3haj h LEU 169 Ca -0.00 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 57.67 3haj h LEU 169 Cb 0.50 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 3haj h LEU 169 CO 0.03 0.46 -2.16 0.00 -0.00 0.00 0.00 178.44 176.76 3haj n ALA 170 N -2.47 2.18 -0.08 0.17 0.00 -1.06 -2.82 120.51 116.43 3haj n ALA 170 Ca -0.02 -0.90 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 3haj n ALA 170 Cb 0.43 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 3haj n ALA 170 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3haj h ILE 171 N 0.00 1.31 -0.00 0.00 2.04 -1.46 -0.14 117.51 119.26 3haj h ILE 171 Ca -0.26 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3haj h ILE 171 Cb 1.59 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3haj h ILE 171 CO 0.01 0.38 -0.15 -1.54 0.00 0.00 0.00 178.15 176.85 3haj n SER 172 N -4.48 0.32 0.07 1.72 3.41 -1.10 -3.55 113.62 110.01 3haj n SER 172 Ca -0.04 -0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.19 3haj n SER 172 Cb 0.36 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 3haj n SER 172 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3haj h ARG 173 N 0.25 0.34 0.07 4.33 9.65 -1.35 -3.29 114.38 124.38 3haj h ARG 173 Ca 0.00 -0.58 -0.00 0.00 -1.10 0.00 0.00 59.98 58.30 3haj h ARG 173 Cb 0.42 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3haj h ARG 173 CO 0.00 1.23 -0.03 1.49 2.80 0.00 0.00 179.97 185.46 3haj h GLU 174 N 0.09 -0.09 -0.17 0.20 4.81 -1.07 -0.82 114.58 117.53 3haj h GLU 174 Ca -0.30 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 3haj h GLU 174 Cb 2.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.46 3haj h GLU 174 CO 0.18 0.45 0.14 0.00 -0.73 0.00 0.00 179.01 179.05 3haj h ALA 175 N 0.11 2.05 -0.29 2.92 0.00 -1.78 1.11 119.26 123.38 3haj h ALA 175 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3haj h ALA 175 Cb 0.58 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3haj h ALA 175 CO 0.02 -0.23 -0.31 -0.91 0.00 0.00 0.00 179.25 177.82 3haj h ASN 176 N 0.00 0.77 0.39 0.00 4.21 -1.58 -2.99 115.58 116.38 3haj h ASN 176 Ca 0.08 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 57.12 3haj h ASN 176 Cb 0.36 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3haj h ASN 176 CO -0.00 1.09 -0.19 -1.54 -1.29 0.00 0.00 177.43 175.50 3haj n SER 177 N -4.24 0.59 -0.01 5.81 3.41 -0.31 -3.59 113.62 115.28 3haj n SER 177 Ca -0.04 -0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 57.86 3haj n SER 177 Cb 0.48 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.34 3haj n SER 177 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3haj h LYS 178 N 0.63 0.66 0.00 4.33 1.63 0.13 -3.10 116.57 120.85 3haj h LYS 178 Ca 0.00 -0.60 -0.07 0.00 -0.85 0.00 0.00 60.65 59.13 3haj h LYS 178 Cb 0.43 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3haj h LYS 178 CO 0.00 1.21 -0.33 0.00 -3.45 0.00 0.00 179.45 176.88 3haj h ALA 179 N 0.46 1.19 -2.72 5.00 0.00 -1.58 -3.45 119.26 118.17 3haj h ALA 179 Ca -0.07 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.97 3haj h ALA 179 Cb 1.40 -0.05 0.17 0.00 0.00 0.00 0.00 17.79 19.31 3haj h ALA 179 CO 0.15 0.41 -0.07 -0.25 0.00 0.00 0.00 179.25 179.50 3haj n ASP 180 N -3.77 0.07 0.09 0.00 10.43 -1.17 -4.93 116.55 117.27 3haj n ASP 180 Ca -0.01 0.77 -0.23 0.00 2.57 0.00 0.00 54.79 57.88 3haj n ASP 180 Cb 0.42 -1.31 -0.15 0.00 1.84 0.00 0.00 41.12 41.92 3haj n ASP 180 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3haj h PRO 181 N 0.32 0.43 -6.12 -0.24 0.11 -1.87 -3.49 132.00 121.15 3haj h PRO 181 Ca -0.47 -0.74 -0.52 0.00 0.11 0.00 0.00 66.00 64.38 3haj h PRO 181 Cb 1.38 0.28 -0.05 0.00 0.11 0.00 0.00 31.00 32.71 3haj h PRO 181 CO 0.49 1.35 -0.47 -1.12 -0.21 0.00 0.00 178.00 178.05 3haj s SER 182 N -7.37 4.93 -0.38 -2.05 0.01 -1.26 -4.88 113.70 102.70 3haj s SER 182 Ca -0.14 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.22 3haj s SER 182 Cb 0.05 -0.74 0.03 0.00 0.21 0.00 0.00 66.02 65.56 3haj s SER 182 CO 0.88 -0.43 0.48 0.18 0.41 0.00 0.00 173.24 174.76 3haj n LEU 183 N -1.32 -6.16 -0.01 2.44 4.77 -1.26 -4.99 117.00 110.46 3haj n LEU 183 Ca -0.01 0.48 0.02 0.00 -0.03 0.00 0.00 56.01 56.47 3haj n LEU 183 Cb 0.61 -2.77 0.02 0.00 -2.33 0.00 0.00 43.42 38.95 3haj n LEU 183 CO 0.43 -1.79 0.50 0.59 -1.33 0.00 0.00 177.39 175.79 3haj n ASN 184 N 0.02 2.00 -0.03 -1.43 3.02 -1.26 -4.33 115.26 113.25 3haj n ASN 184 Ca 0.04 -2.14 -0.02 0.00 -0.03 0.00 0.00 54.58 52.42 3haj n ASN 184 Cb 0.45 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 3haj n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3haj h PRO 185 N 0.00 -0.06 0.00 3.52 0.11 -1.99 -3.33 132.00 130.26 3haj h PRO 185 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3haj h PRO 185 Cb 0.59 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 3haj h PRO 185 CO 0.00 0.06 -1.72 0.39 -0.21 0.00 0.00 178.00 176.52 3haj n GLU 186 N -4.80 2.19 0.16 1.05 -0.58 -1.26 -4.39 120.64 113.00 3haj n GLU 186 Ca -0.02 -0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.83 3haj n GLU 186 Cb 0.07 -1.27 0.57 0.00 -0.57 0.00 0.00 31.44 30.25 3haj n GLU 186 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3haj n GLN 187 N -2.41 0.15 -0.03 3.49 1.13 -1.26 -1.08 117.38 117.37 3haj n GLN 187 Ca -0.17 0.60 -0.13 0.00 -1.94 0.00 0.00 57.00 55.35 3haj n GLN 187 Cb 0.84 -1.94 -0.10 0.00 0.11 0.00 0.00 30.24 29.14 3haj n GLN 187 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3haj h LEU 188 N 0.00 0.03 -0.28 1.08 7.12 -1.76 -3.27 115.31 118.24 3haj h LEU 188 Ca 0.00 -0.58 0.01 0.00 0.13 0.00 0.00 57.88 57.44 3haj h LEU 188 Cb 0.07 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.17 3haj h LEU 188 CO 0.00 0.60 0.18 0.07 -0.13 0.00 0.00 178.44 179.16 3haj h LYS 189 N -0.54 0.35 -0.76 1.25 2.10 -1.35 -2.44 116.57 115.19 3haj h LYS 189 Ca 0.00 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.69 3haj h LYS 189 Cb 0.60 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 3haj h LYS 189 CO 0.00 0.23 0.50 1.57 -2.00 0.00 0.00 179.45 179.75 3haj h LYS 190 N 0.36 0.79 -0.73 0.07 2.10 -1.66 0.31 116.57 117.81 3haj h LYS 190 Ca 0.11 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.78 3haj h LYS 190 Cb -0.02 -0.18 -0.06 0.00 -0.90 0.00 0.00 32.23 31.07 3haj h LYS 190 CO -0.04 0.52 0.41 -0.07 -2.00 0.00 0.00 179.45 178.28 3haj h LEU 191 N 0.81 0.61 -0.84 7.07 3.38 -1.49 0.23 115.31 125.09 3haj h LEU 191 Ca 0.32 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3haj h LEU 191 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3haj h LEU 191 CO -0.11 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3haj n GLN 192 N -4.76 1.53 -0.04 1.13 6.02 0.90 -3.84 117.38 118.32 3haj n GLN 192 Ca 0.10 -0.79 -0.00 0.00 -0.01 0.00 0.00 57.00 56.30 3haj n GLN 192 Cb 0.21 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 3haj n GLN 192 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3haj n ASP 193 N 0.14 1.61 -0.73 1.08 8.00 0.03 -4.57 116.55 122.11 3haj n ASP 193 Ca 0.07 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.65 3haj n ASP 193 Cb 0.20 1.21 0.11 0.00 -0.02 0.00 0.00 41.12 42.62 3haj n ASP 193 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3haj n LYS 194 N -2.29 1.72 -0.06 -1.24 4.81 -0.96 -3.53 118.16 116.61 3haj n LYS 194 Ca -0.14 -1.72 -0.04 0.00 -0.87 0.00 0.00 58.31 55.55 3haj n LYS 194 Cb 0.70 -1.34 -0.15 0.00 0.02 0.00 0.00 35.03 34.26 3haj n LYS 194 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3haj n ILE 195 N 0.93 1.06 0.07 3.15 -6.64 -1.26 -4.12 119.36 112.55 3haj n ILE 195 Ca 0.12 -0.76 0.08 0.00 -1.77 0.00 0.00 62.75 60.42 3haj n ILE 195 Cb 0.44 -0.41 -0.05 0.00 -1.44 0.00 0.00 39.64 38.18 3haj n ILE 195 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 3haj n GLU 196 N -2.66 0.62 -0.21 6.28 0.00 -1.26 -3.62 120.64 119.79 3haj n GLU 196 Ca -0.23 0.10 -0.09 0.00 0.00 0.00 0.00 57.16 56.93 3haj n GLU 196 Cb 0.99 -1.77 0.02 0.00 0.00 0.00 0.00 31.44 30.68 3haj n GLU 196 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3haj h LYS 197 N 0.00 1.08 0.00 5.31 1.79 -1.76 -1.85 116.57 121.13 3haj h LYS 197 Ca -0.05 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3haj h LYS 197 Cb 1.17 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3haj h LYS 197 CO 0.01 1.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.44 3haj h LYS 199 N 0.00 0.43 -0.15 0.00 1.63 -1.39 -2.75 116.57 114.34 3haj h LYS 199 Ca 0.00 -0.61 -0.12 0.00 -0.85 0.00 0.00 60.65 59.07 3haj h LYS 199 Cb 0.18 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3haj h LYS 199 CO 0.00 1.26 -0.42 1.96 -3.45 0.00 0.00 179.45 178.79 3haj h GLN 200 N 0.18 0.35 0.59 1.90 4.20 -1.45 -3.08 115.11 117.79 3haj h GLN 200 Ca -0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 3haj h GLN 200 Cb 1.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.66 3haj h GLN 200 CO 0.21 0.72 -0.28 -0.44 -0.67 0.00 0.00 178.83 178.37 3haj h ASP 201 N 0.29 -0.67 -0.83 1.46 5.19 -1.58 0.39 116.42 120.67 3haj h ASP 201 Ca 0.02 0.02 0.24 0.00 -0.62 0.00 0.00 57.03 56.70 3haj h ASP 201 Cb 0.87 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 3haj h ASP 201 CO 0.07 -0.38 0.82 0.58 -3.12 0.00 0.00 179.24 177.21 3haj h VAL 202 N -0.98 0.24 0.10 -1.35 2.07 -1.55 0.98 116.25 115.76 3haj h VAL 202 Ca -0.08 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.09 3haj h VAL 202 Cb 0.60 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3haj h VAL 202 CO 0.13 0.00 -1.89 -0.11 0.02 0.00 0.00 177.57 175.72 3haj n LEU 203 N -3.65 2.52 -0.03 2.57 0.00 -1.17 -3.62 117.00 113.63 3haj n LEU 203 Ca 0.18 0.24 -0.15 0.00 0.00 0.00 0.00 56.01 56.27 3haj n LEU 203 Cb 1.10 -1.09 -0.10 0.00 0.00 0.00 0.00 43.42 43.33 3haj n LEU 203 CO 0.29 0.76 0.41 0.50 0.00 0.00 0.00 177.39 179.36 3haj h LYS 204 N -0.11 0.34 -0.06 1.96 1.63 0.41 -1.76 116.57 118.99 3haj h LYS 204 Ca -0.42 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 59.06 3haj h LYS 204 Cb 1.91 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 3haj h LYS 204 CO 0.03 0.94 -0.10 1.79 -3.45 0.00 0.00 179.45 178.66 3haj h THR 205 N -0.17 1.41 -0.66 1.00 1.35 0.53 -3.18 112.91 113.20 3haj h THR 205 Ca -0.03 -1.39 0.02 0.00 -0.55 0.00 0.00 66.41 64.46 3haj h THR 205 Cb 1.02 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 69.60 3haj h THR 205 CO 0.07 0.38 0.43 0.50 -0.25 0.00 0.00 175.52 176.65 3haj h LYS 206 N -0.32 0.83 -0.74 4.72 3.64 -1.66 1.04 116.57 124.08 3haj h LYS 206 Ca 0.00 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.50 3haj h LYS 206 Cb 0.67 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.18 3haj h LYS 206 CO 0.02 0.55 0.09 1.49 -2.27 0.00 0.00 179.45 179.34 3haj h GLU 207 N 0.86 0.17 0.01 1.90 4.81 -1.36 0.34 114.58 121.31 3haj h GLU 207 Ca 0.25 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.19 3haj h GLU 207 Cb -0.05 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3haj h GLU 207 CO -0.07 0.11 -1.57 0.87 -0.73 0.00 0.00 179.01 177.62 3haj h LYS 208 N 0.18 0.02 0.00 1.92 1.57 -1.44 -2.91 116.57 115.91 3haj h LYS 208 Ca 0.41 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3haj h LYS 208 Cb 0.72 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3haj h LYS 208 CO -0.58 0.64 -0.05 1.88 -0.57 0.00 0.00 179.45 180.76 3haj h TYR 209 N 0.00 0.00 -0.01 -1.35 0.05 0.22 -0.34 116.97 115.55 3haj h TYR 209 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 3haj h TYR 209 Cb 1.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.71 3haj h TYR 209 CO 0.00 0.05 -0.42 0.39 -1.05 0.00 0.00 178.16 177.14 3haj n GLU 210 N -3.27 1.78 0.00 4.88 1.02 0.11 -4.34 120.64 120.82 3haj n GLU 210 Ca -0.01 -0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 56.34 3haj n GLU 210 Cb 0.24 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 3haj n GLU 210 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3haj h LYS 211 N 1.34 0.66 -0.76 3.49 1.63 -0.88 -3.22 116.57 118.83 3haj h LYS 211 Ca 0.00 -0.62 0.06 0.00 -0.85 0.00 0.00 60.65 59.24 3haj h LYS 211 Cb 0.49 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.23 3haj h LYS 211 CO 0.00 1.23 0.50 0.66 -3.45 0.00 0.00 179.45 178.39 3haj h SER 212 N 0.32 0.71 0.33 4.20 4.64 -1.50 0.36 113.55 122.61 3haj h SER 212 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3haj h SER 212 Cb 1.45 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3haj h SER 212 CO 0.16 0.46 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.50 3haj h LEU 213 N 0.81 0.00 0.24 5.97 3.38 -1.75 -1.37 115.31 122.59 3haj h LEU 213 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3haj h LEU 213 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3haj h LEU 213 CO -0.11 0.01 -0.12 0.11 0.09 0.00 0.00 178.44 178.42 3haj h LYS 214 N 0.00 -0.31 -0.95 1.13 1.79 -0.31 -3.14 116.57 114.78 3haj h LYS 214 Ca -0.00 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.58 3haj h LYS 214 Cb 0.18 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 3haj h LYS 214 CO 0.00 -0.01 0.59 0.93 -1.08 0.00 0.00 179.45 179.89 3haj h GLU 215 N -0.98 0.98 -0.49 3.15 5.08 -1.05 -1.19 114.58 120.09 3haj h GLU 215 Ca -0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3haj h GLU 215 Cb 0.45 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3haj h GLU 215 CO 0.05 0.65 0.20 1.25 -1.00 0.00 0.00 179.01 180.17 3haj h LEU 216 N 1.01 0.25 -1.12 1.33 6.46 -1.39 -1.34 115.31 120.51 3haj h LEU 216 Ca 0.44 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 58.16 3haj h LEU 216 Cb 0.32 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3haj h LEU 216 CO -0.22 0.17 -0.37 0.44 -0.62 0.00 0.00 178.44 177.84 3haj h ASP 217 N 0.40 0.12 -0.44 1.25 3.32 -1.19 -2.32 116.42 117.56 3haj h ASP 217 Ca 0.23 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3haj h ASP 217 Cb 0.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3haj h ASP 217 CO -0.21 0.49 -0.11 1.56 -1.72 0.00 0.00 179.24 179.26 3haj h GLN 218 N 0.10 0.85 -1.70 3.56 4.20 -0.98 -3.15 115.11 117.99 3haj h GLN 218 Ca 0.01 -0.33 -0.63 0.00 0.06 0.00 0.00 58.65 57.76 3haj h GLN 218 Cb 0.71 -0.05 -0.24 0.00 0.30 0.00 0.00 27.48 28.21 3haj h GLN 218 CO 0.05 0.96 0.78 0.41 -0.67 0.00 0.00 178.83 180.37 3haj n GLY 219 N -0.21 5.16 0.02 3.46 0.00 -0.54 -4.31 105.19 108.78 3haj n GLY 219 Ca -0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 3haj n GLY 219 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3haj n THR 220 N -0.19 0.23 0.22 2.61 -1.04 -0.94 -4.42 114.28 110.76 3haj n THR 220 Ca 0.52 -0.09 0.06 0.00 -2.04 0.00 0.00 64.05 62.50 3haj n THR 220 Cb 0.45 -0.66 0.51 0.00 -1.82 0.00 0.00 70.33 68.81 3haj n THR 220 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3haj h PRO 221 N 0.00 0.00 -0.07 -2.82 0.13 -1.76 -2.12 132.00 125.37 3haj h PRO 221 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.92 3haj h PRO 221 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3haj h PRO 221 CO -0.01 0.19 -0.45 0.37 -0.23 0.00 0.00 178.00 177.87 3haj h GLN 222 N 0.00 0.42 -0.88 0.86 5.75 -1.85 -2.90 115.11 116.51 3haj h GLN 222 Ca -0.00 -0.36 0.07 0.00 -0.15 0.00 0.00 58.65 58.21 3haj h GLN 222 Cb 0.34 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 3haj h GLN 222 CO 0.02 1.01 0.57 -0.92 -2.65 0.00 0.00 178.83 176.86 3haj h TYR 223 N -0.05 0.99 0.00 3.99 3.20 -1.68 0.24 116.97 123.67 3haj h TYR 223 Ca -0.04 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3haj h TYR 223 Cb 1.11 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3haj h TYR 223 CO 0.13 0.50 -0.53 0.52 -1.64 0.00 0.00 178.16 177.14 3haj h MET 224 N 0.96 0.00 0.00 1.82 2.86 -1.42 -2.73 114.93 116.42 3haj h MET 224 Ca 0.39 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.87 3haj h MET 224 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3haj h MET 224 CO -0.15 0.53 -0.97 1.49 1.06 0.00 0.00 176.91 178.87 3haj h GLU 225 N 0.00 0.00 -0.00 1.72 4.81 -0.99 -2.94 114.58 117.18 3haj h GLU 225 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3haj h GLU 225 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3haj h GLU 225 CO 0.07 0.54 -0.12 0.09 -0.73 0.00 0.00 179.01 178.86 3haj n ASN 226 N -3.14 0.42 -0.03 1.04 3.02 0.70 -2.85 115.26 114.42 3haj n ASN 226 Ca -0.03 -0.46 0.02 0.00 -0.03 0.00 0.00 54.58 54.08 3haj n ASN 226 Cb 0.83 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.80 3haj n ASN 226 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3haj n MET 227 N -1.04 0.97 0.09 3.52 2.81 -1.04 -3.84 117.12 118.59 3haj n MET 227 Ca 0.13 -0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3haj n MET 227 Cb 0.28 -1.35 0.22 0.00 -0.71 0.00 0.00 33.22 31.66 3haj n MET 227 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3haj h GLU 228 N 0.00 0.00 0.18 0.03 5.08 -1.59 -2.32 114.58 115.97 3haj h GLU 228 Ca -0.15 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.90 3haj h GLU 228 Cb 1.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.40 3haj h GLU 228 CO 0.01 0.00 -1.48 0.37 -1.00 0.00 0.00 179.01 176.91 3haj h GLN 229 N 0.00 0.39 -0.24 2.33 -0.00 -1.70 -1.67 115.11 114.21 3haj h GLN 229 Ca 0.00 -0.66 -0.20 0.00 -0.00 0.00 0.00 58.65 57.79 3haj h GLN 229 Cb 0.80 0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.53 3haj h GLN 229 CO 0.00 1.29 -0.64 0.28 0.00 0.00 0.00 178.83 179.77 3haj h VAL 230 N 0.11 1.27 0.22 2.39 2.07 -1.67 -3.22 116.25 117.42 3haj h VAL 230 Ca -0.24 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 3haj h VAL 230 Cb 2.08 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3haj h VAL 230 CO 0.22 0.59 -0.11 0.15 0.02 0.00 0.00 177.57 178.44 3haj h PHE 231 N 0.63 -0.27 -0.24 1.57 3.04 -1.48 -2.05 116.94 118.14 3haj h PHE 231 Ca -0.01 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.00 3haj h PHE 231 Cb 1.25 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 3haj h PHE 231 CO 0.08 0.05 0.34 0.93 -2.02 0.00 0.00 178.31 177.68 3haj h GLU 232 N -0.61 0.00 0.02 1.11 4.39 -1.43 0.21 114.58 118.27 3haj h GLU 232 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 3haj h GLU 232 Cb 0.44 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3haj h GLU 232 CO 0.05 0.00 -0.64 0.37 -1.16 0.00 0.00 179.01 177.63 3haj h GLN 233 N 0.00 0.41 -0.99 2.33 5.75 -1.47 -1.53 115.11 119.59 3haj h GLN 233 Ca 0.11 -0.46 0.04 0.00 -0.15 0.00 0.00 58.65 58.20 3haj h GLN 233 Cb 0.79 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.42 3haj h GLN 233 CO -0.00 1.13 0.65 0.00 -2.65 0.00 0.00 178.83 177.95 3haj h GLN 235 N 1.24 0.52 -0.48 0.00 1.08 -0.68 -2.01 115.11 114.79 3haj h GLN 235 Ca 0.40 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.56 3haj h GLN 235 Cb 0.03 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 3haj h GLN 235 CO -0.13 0.42 0.32 0.37 -0.95 0.00 0.00 178.83 178.86 3haj h GLN 236 N 0.49 0.58 0.00 1.46 5.75 -0.67 0.15 115.11 122.86 3haj h GLN 236 Ca 0.13 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 3haj h GLN 236 Cb 0.04 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3haj h GLN 236 CO -0.02 0.38 -0.57 0.35 -2.65 0.00 0.00 178.83 176.32 3haj h PHE 237 N 0.59 0.00 0.20 3.99 -0.00 -0.97 -2.99 116.94 117.76 3haj h PHE 237 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.85 3haj h PHE 237 Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 35.99 3haj h PHE 237 CO -0.00 0.57 -1.38 1.49 -0.00 0.00 0.00 178.31 178.98 3haj h GLU 238 N 0.00 0.41 -0.75 1.11 4.57 -0.55 -3.29 114.58 116.08 3haj h GLU 238 Ca -0.01 -0.71 0.05 0.00 -1.18 0.00 0.00 59.36 57.51 3haj h GLU 238 Cb 1.24 0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 30.04 3haj h GLU 238 CO 0.07 1.34 0.46 1.49 -1.18 0.00 0.00 179.01 181.19 3haj h GLU 239 N 0.11 0.84 -0.72 1.92 4.81 -0.72 -0.11 114.58 120.72 3haj h GLU 239 Ca -0.20 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3haj h GLU 239 Cb 2.08 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 31.22 3haj h GLU 239 CO 0.24 0.55 0.43 0.87 -0.73 0.00 0.00 179.01 180.38 3haj h LYS 240 N 0.86 0.79 -0.07 1.92 6.56 -1.63 -1.56 116.57 123.44 3haj h LYS 240 Ca 0.32 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 3haj h LYS 240 Cb 0.11 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 3haj h LYS 240 CO -0.15 0.52 -0.03 -0.09 -2.06 0.00 0.00 179.45 177.64 3haj h ARG 241 N 0.81 0.14 -0.76 3.15 2.43 -1.34 -1.89 114.38 116.91 3haj h ARG 241 Ca 0.31 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 3haj h ARG 241 Cb 0.12 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3haj h ARG 241 CO -0.15 0.51 0.45 -0.07 -1.51 0.00 0.00 179.97 179.20 3haj h LEU 242 N -0.24 0.67 -0.66 3.80 3.38 -0.95 0.56 115.31 121.87 3haj h LEU 242 Ca 0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3haj h LEU 242 Cb 0.47 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3haj h LEU 242 CO 0.01 0.42 0.25 0.03 0.09 0.00 0.00 178.44 179.24 3haj h ARG 243 N 0.80 0.99 -0.05 1.13 3.08 -1.27 -2.13 114.38 116.94 3haj h ARG 243 Ca 0.34 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3haj h ARG 243 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3haj h ARG 243 CO -0.19 0.84 -0.09 0.35 -1.07 0.00 0.00 179.97 179.81 3haj h PHE 244 N 0.94 -0.24 -0.32 3.04 3.04 -0.45 -0.59 116.94 122.36 3haj h PHE 244 Ca 0.22 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.22 3haj h PHE 244 Cb 0.23 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 3haj h PHE 244 CO 0.02 -0.14 0.07 0.74 -2.02 0.00 0.00 178.31 176.97 3haj h PHE 245 N -0.14 0.12 -0.86 0.41 0.05 -0.71 0.20 116.94 116.02 3haj h PHE 245 Ca 0.05 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.83 3haj h PHE 245 Cb 0.21 -0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.12 3haj h PHE 245 CO -0.18 0.03 0.41 -0.09 -0.18 0.00 0.00 178.31 178.30 3haj h ARG 246 N 0.19 1.23 -0.57 1.51 2.43 -1.27 -0.99 114.38 116.90 3haj h ARG 246 Ca 0.15 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3haj h ARG 246 Cb 0.16 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3haj h ARG 246 CO -0.19 0.94 -0.01 1.49 -1.51 0.00 0.00 179.97 180.69 3haj h GLU 247 N 1.22 1.01 -0.10 0.20 4.81 -0.27 -2.47 114.58 118.98 3haj h GLU 247 Ca 0.29 -0.33 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 3haj h GLU 247 Cb 0.12 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.42 3haj h GLU 247 CO -0.04 1.01 -0.59 0.28 -0.73 0.00 0.00 179.01 178.94 3haj h VAL 248 N 0.90 1.35 -0.17 0.32 2.07 -0.46 -3.00 116.25 117.25 3haj h VAL 248 Ca 0.16 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.79 3haj h VAL 248 Cb 0.56 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3haj h VAL 248 CO 0.03 0.58 0.11 -0.07 0.02 0.00 0.00 177.57 178.24 3haj h LEU 249 N 0.20 0.17 -0.39 2.57 3.38 -1.20 -0.34 115.31 119.69 3haj h LEU 249 Ca -0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3haj h LEU 249 Cb 1.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3haj h LEU 249 CO 0.12 0.12 0.14 -0.07 0.09 0.00 0.00 178.44 178.84 3haj h LEU 250 N 0.20 0.56 -1.05 1.67 3.38 -1.35 -1.89 115.31 116.82 3haj h LEU 250 Ca 0.07 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3haj h LEU 250 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3haj h LEU 250 CO -0.01 0.60 -0.47 -0.33 0.09 0.00 0.00 178.44 178.32 3haj h GLU 251 N 0.48 0.01 -0.21 1.13 5.08 -1.17 -3.07 114.58 116.83 3haj h GLU 251 Ca 0.13 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3haj h GLU 251 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3haj h GLU 251 CO -0.01 0.48 -0.14 0.28 -1.00 0.00 0.00 179.01 178.62 3haj h VAL 252 N 0.01 1.32 -0.07 3.13 2.07 -0.87 -2.65 116.25 119.19 3haj h VAL 252 Ca -0.00 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.28 3haj h VAL 252 Cb 0.83 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3haj h VAL 252 CO 0.06 0.38 0.06 0.06 0.02 0.00 0.00 177.57 178.15 3haj h GLN 253 N 0.15 0.00 0.02 1.57 -0.00 -1.29 -0.27 115.11 115.29 3haj h GLN 253 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.49 3haj h GLN 253 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.12 3haj h GLN 253 CO 0.04 0.00 -0.96 -0.22 -0.00 0.00 0.00 178.83 177.68 3haj h LYS 254 N 0.00 0.06 0.00 0.06 3.64 -1.43 -2.15 116.57 116.75 3haj h LYS 254 Ca 0.03 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3haj h LYS 254 Cb 0.15 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3haj h LYS 254 CO -0.00 0.97 -0.88 0.45 -2.27 0.00 0.00 179.45 177.72 3haj h HIS 255 N 0.02 0.00 0.00 1.91 3.86 -0.74 -3.19 115.15 117.01 3haj h HIS 255 Ca -0.03 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 3haj h HIS 255 Cb 1.67 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.13 3haj h HIS 255 CO 0.01 0.88 -0.43 -0.07 0.86 0.00 0.00 177.93 179.19 3haj h LEU 256 N 0.00 0.00 -9.03 2.43 3.38 -1.25 -3.43 115.31 107.40 3haj h LEU 256 Ca -0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3haj h LEU 256 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3haj h LEU 256 CO 0.11 0.28 1.28 -0.62 0.09 0.00 0.00 178.44 179.58 3haj s ASP 257 N -6.22 6.02 -0.03 -0.43 -1.08 -0.81 -4.82 116.67 109.30 3haj s ASP 257 Ca 0.04 1.79 0.04 0.00 -0.52 0.00 0.00 52.55 53.91 3haj s ASP 257 Cb 0.07 -2.52 0.07 0.00 -1.46 0.00 0.00 42.92 39.07 3haj s ASP 257 CO 0.73 -1.53 0.97 0.18 0.52 0.00 0.00 175.17 176.04 3haj n LEU 258 N 9.64 1.74 0.10 -1.34 4.77 -1.26 -4.79 117.00 125.85 3haj n LEU 258 Ca 0.23 -1.95 -0.21 0.00 -0.03 0.00 0.00 56.01 54.05 3haj n LEU 258 Cb 0.45 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 3haj n LEU 258 CO 0.66 0.47 -0.05 0.77 -1.33 0.00 0.00 177.39 177.92 3haj h SER 259 N 0.00 0.77 -3.95 -1.43 4.64 -2.00 -3.39 113.55 108.19 3haj h SER 259 Ca 0.00 -0.73 -0.63 0.00 -0.47 0.00 0.00 61.79 59.97 3haj h SER 259 Cb 0.72 -0.24 -0.41 0.00 -0.31 0.00 0.00 62.40 62.16 3haj h SER 259 CO 0.00 1.54 -0.66 0.21 -0.87 0.00 0.00 176.83 177.05 3haj s ASN 260 N -7.37 4.15 -0.00 4.97 2.47 -1.26 -5.08 114.94 112.82 3haj s ASN 260 Ca -0.08 -3.02 0.01 0.00 0.42 0.00 0.00 52.86 50.19 3haj s ASN 260 Cb 0.06 -1.46 -0.00 0.00 -1.45 0.00 0.00 41.25 38.40 3haj s ASN 260 CO 0.92 -0.22 -0.03 -0.69 -3.72 0.00 0.00 177.10 173.36 3haj s VAL 261 N -0.27 0.25 -0.01 -5.21 1.01 -1.26 -5.07 120.40 109.84 3haj s VAL 261 Ca 0.18 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3haj s VAL 261 Cb -0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 3haj s VAL 261 CO -0.02 0.07 0.84 0.00 0.00 0.00 0.00 175.10 175.99 3haj h ALA 262 N 6.08 -0.73 -0.97 5.51 0.00 -1.98 -2.98 119.26 124.19 3haj h ALA 262 Ca -0.27 -0.16 0.22 0.00 0.00 0.00 0.00 54.91 54.71 3haj h ALA 262 Cb 1.20 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 3haj h ALA 262 CO 0.50 -0.68 0.63 0.78 0.00 0.00 0.00 179.25 180.49 3haj h GLY 263 N -1.19 1.12 0.98 0.00 0.00 -2.00 -1.02 103.07 100.95 3haj h GLY 263 Ca -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3haj h GLY 263 CO 0.12 -0.05 0.19 -1.82 0.00 0.00 0.00 176.54 174.98 3haj h TYR 264 N 0.46 0.81 -0.03 5.60 3.20 -1.95 -2.86 116.97 122.20 3haj h TYR 264 Ca 0.53 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 62.18 3haj h TYR 264 Cb 1.24 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3haj h TYR 264 CO -0.00 0.68 -0.65 0.87 -1.64 0.00 0.00 178.16 177.42 3haj h LYS 265 N 0.71 0.11 -0.84 1.82 1.57 -1.04 -2.87 116.57 116.03 3haj h LYS 265 Ca 0.17 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3haj h LYS 265 Cb 0.23 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3haj h LYS 265 CO -0.01 0.73 0.53 0.00 -0.57 0.00 0.00 179.45 180.13 3haj h ALA 266 N 1.25 1.36 -0.99 3.86 0.00 -1.31 -1.91 119.26 121.53 3haj h ALA 266 Ca -0.01 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.97 3haj h ALA 266 Cb 1.16 -0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 3haj h ALA 266 CO 0.09 0.57 0.62 0.82 0.00 0.00 0.00 179.25 181.36 3haj h ILE 267 N 1.15 0.85 0.00 0.00 2.04 -1.28 -1.93 117.51 118.34 3haj h ILE 267 Ca 0.31 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 3haj h ILE 267 Cb -0.09 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 35.83 3haj h ILE 267 CO -0.06 0.16 -1.82 -1.22 0.00 0.00 0.00 178.15 175.21 3haj n TYR 268 N -4.65 0.45 0.13 1.37 4.01 -0.79 -2.48 117.16 115.20 3haj n TYR 268 Ca 0.20 0.15 0.04 0.00 -0.16 0.00 0.00 57.90 58.13 3haj n TYR 268 Cb 0.43 -0.90 0.02 0.00 -0.31 0.00 0.00 39.34 38.59 3haj n TYR 268 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3haj h HIS 269 N 0.00 0.00 -0.27 -0.72 2.07 -1.35 -2.42 115.15 112.46 3haj h HIS 269 Ca -0.22 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.26 3haj h HIS 269 Cb 1.59 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.56 3haj h HIS 269 CO 0.00 0.40 0.02 -0.44 -3.07 0.00 0.00 177.93 174.84 3haj h ASP 270 N 0.00 0.45 0.24 3.10 5.19 -1.46 -2.61 116.42 121.33 3haj h ASP 270 Ca -0.03 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 3haj h ASP 270 Cb 1.33 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 3haj h ASP 270 CO 0.05 0.63 -0.21 0.25 -3.12 0.00 0.00 179.24 176.83 3haj h LEU 271 N 0.26 -0.57 -0.35 1.55 6.46 -1.49 -1.99 115.31 119.19 3haj h LEU 271 Ca 0.08 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 3haj h LEU 271 Cb 0.39 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.44 3haj h LEU 271 CO 0.01 -0.32 -0.09 -0.08 -0.62 0.00 0.00 178.44 177.33 3haj h GLU 272 N -0.48 -0.01 -0.21 1.25 4.81 -1.47 -2.06 114.58 116.42 3haj h GLU 272 Ca -0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3haj h GLU 272 Cb 0.44 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3haj h GLU 272 CO -0.03 -0.00 -0.09 1.96 -0.73 0.00 0.00 179.01 180.11 3haj h GLN 273 N -0.01 -0.06 -0.87 1.92 1.08 -1.31 -0.51 115.11 115.35 3haj h GLN 273 Ca 0.17 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.48 3haj h GLN 273 Cb 0.26 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 3haj h GLN 273 CO -0.36 -0.04 0.51 0.77 -0.95 0.00 0.00 178.83 178.76 3haj h SER 274 N -0.06 0.73 -0.32 1.46 0.02 -0.70 0.17 113.55 114.84 3haj h SER 274 Ca 0.11 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.93 3haj h SER 274 Cb 0.23 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3haj h SER 274 CO -0.25 0.40 -0.50 0.40 -1.14 0.00 0.00 176.83 175.75 3haj h ILE 275 N 0.83 1.27 0.00 3.27 2.04 -1.01 -2.81 117.51 121.10 3haj h ILE 275 Ca 0.43 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3haj h ILE 275 Cb 0.42 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3haj h ILE 275 CO -0.26 0.55 -0.06 0.03 0.00 0.00 0.00 178.15 178.41 3haj h ARG 276 N 0.71 0.00 0.00 2.37 2.47 0.31 -0.94 114.38 119.29 3haj h ARG 276 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3haj h ARG 276 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 3haj h ARG 276 CO 0.11 0.06 0.00 0.00 0.56 0.00 0.00 179.97 180.70 3haj n ALA 277 N -2.42 1.65 -1.99 0.04 0.00 0.46 -4.72 120.51 113.52 3haj n ALA 277 Ca -0.03 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3haj n ALA 277 Cb 0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3haj n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3haj s ALA 278 N -3.11 3.57 -0.35 0.00 0.00 -0.36 -4.97 121.76 116.53 3haj s ALA 278 Ca 0.06 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 3haj s ALA 278 Cb 0.09 -3.77 0.08 0.00 0.00 0.00 0.00 23.12 19.53 3haj s ALA 278 CO 0.30 -1.49 0.09 0.34 0.00 0.00 0.00 175.76 175.01 3haj s ASP 279 N 3.58 5.02 0.15 0.00 3.68 -1.26 -4.99 116.67 122.85 3haj s ASP 279 Ca 0.74 -1.74 -0.16 0.00 2.13 0.00 0.00 52.55 53.52 3haj s ASP 279 Cb -0.33 -1.75 0.01 0.00 -1.45 0.00 0.00 42.92 39.41 3haj s ASP 279 CO 0.30 -0.40 1.81 0.00 0.13 0.00 0.00 175.17 177.01 3haj h ALA 280 N 7.96 0.48 -0.42 3.66 0.00 -1.98 -1.85 119.26 127.11 3haj h ALA 280 Ca -0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3haj h ALA 280 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3haj h ALA 280 CO 0.60 -0.08 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 3haj h VAL 281 N 0.49 1.27 -0.27 0.00 2.07 -1.99 -2.02 116.25 115.80 3haj h VAL 281 Ca 0.14 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3haj h VAL 281 Cb -0.04 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3haj h VAL 281 CO -0.04 0.44 0.11 -0.08 0.02 0.00 0.00 177.57 178.01 3haj h GLU 282 N 0.72 0.24 -0.01 1.57 4.22 -1.92 0.23 114.58 119.62 3haj h GLU 282 Ca 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.51 3haj h GLU 282 Cb 0.70 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3haj h GLU 282 CO 0.05 0.16 -0.08 -0.44 -2.18 0.00 0.00 179.01 176.52 3haj h ASP 283 N 0.24 0.01 0.10 1.04 3.32 -1.15 -2.10 116.42 117.89 3haj h ASP 283 Ca 0.11 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 3haj h ASP 283 Cb 0.06 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3haj h ASP 283 CO -0.10 0.10 -0.82 -0.07 -1.72 0.00 0.00 179.24 176.63 3haj h LEU 284 N 0.02 0.70 -0.95 1.55 3.38 -0.57 -2.60 115.31 116.83 3haj h LEU 284 Ca 0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.55 3haj h LEU 284 Cb 0.15 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3haj h LEU 284 CO 0.01 1.27 0.61 0.03 0.09 0.00 0.00 178.44 180.44 3haj h ARG 285 N 0.38 1.07 -0.34 1.13 3.08 -0.32 -2.18 114.38 117.20 3haj h ARG 285 Ca -0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3haj h ARG 285 Cb 1.43 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3haj h ARG 285 CO 0.15 0.71 -0.04 2.35 -1.07 0.00 0.00 179.97 182.07 3haj h TRP 286 N 1.11 0.69 0.00 3.04 7.01 -1.32 -2.98 115.95 123.49 3haj h TRP 286 Ca 0.41 -0.14 -0.07 0.00 2.11 0.00 0.00 58.89 61.21 3haj h TRP 286 Cb 0.16 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3haj h TRP 286 CO -0.01 0.77 -0.33 0.35 -2.79 0.00 0.00 178.44 176.42 3haj h PHE 287 N 0.42 0.00 -0.35 2.65 3.04 -1.17 -2.01 116.94 119.52 3haj h PHE 287 Ca 0.09 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.88 3haj h PHE 287 Cb 0.52 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 3haj h PHE 287 CO 0.04 0.33 -0.41 -0.09 -2.02 0.00 0.00 178.31 176.17 3haj h ARG 288 N 0.00 0.86 0.12 1.11 2.43 -1.30 -1.93 114.38 115.67 3haj h ARG 288 Ca -0.00 -0.46 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 3haj h ARG 288 Cb 0.65 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3haj h ARG 288 CO 0.04 1.10 -1.22 0.00 -1.51 0.00 0.00 179.97 178.39 3haj h ALA 289 N 0.83 0.11 -0.00 2.80 0.00 -1.35 0.18 119.26 121.82 3haj h ALA 289 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3haj h ALA 289 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3haj h ALA 289 CO 0.10 0.88 -0.96 0.09 0.00 0.00 0.00 179.25 179.35 3haj n ASN 290 N -3.62 0.96 0.00 0.00 4.13 -0.78 -2.93 115.26 113.02 3haj n ASN 290 Ca -0.10 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.22 3haj n ASN 290 Cb 0.99 0.95 0.00 0.00 -1.54 0.00 0.00 39.78 40.18 3haj n ASN 290 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3haj n HIS 291 N -1.50 0.00 -2.86 3.10 8.25 -0.78 -4.99 115.22 116.44 3haj n HIS 291 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3haj n HIS 291 Cb 0.33 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3haj n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3haj n GLY 292 N 0.00 7.18 0.00 -1.41 0.00 -0.73 -4.97 105.19 105.26 3haj n GLY 292 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.12 3haj n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3haj n PRO 293 N 0.00 0.01 0.20 1.61 -0.02 -1.18 -0.61 135.00 135.02 3haj n PRO 293 Ca 0.00 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 3haj n PRO 293 Cb 0.00 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.26 3haj n PRO 293 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3haj h GLY 294 N 0.55 0.00 -1.97 -1.23 0.00 -1.25 -3.46 103.07 95.71 3haj h GLY 294 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3haj h GLY 294 CO 0.00 0.00 0.33 1.03 0.00 0.00 0.00 176.54 177.90 3haj n MET 295 N -3.24 0.61 -2.36 4.80 2.81 0.22 -4.84 117.12 115.12 3haj n MET 295 Ca 0.02 0.27 -0.33 0.00 -1.81 0.00 0.00 57.70 55.85 3haj n MET 295 Cb 0.54 -2.40 -0.03 0.00 -0.71 0.00 0.00 33.22 30.62 3haj n MET 295 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3haj s ALA 296 N -1.77 2.95 -0.02 3.04 0.00 -1.26 -5.05 121.76 119.65 3haj s ALA 296 Ca 0.77 0.31 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3haj s ALA 296 Cb -0.34 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3haj s ALA 296 CO 0.47 -0.36 0.01 1.41 0.00 0.00 0.00 175.76 177.29 3haj s MET 297 N -3.88 0.10 -0.87 0.00 0.00 -1.26 -5.09 119.30 108.31 3haj s MET 297 Ca 0.61 0.12 -0.21 0.00 0.00 0.00 0.00 55.69 56.21 3haj s MET 297 Cb -0.12 -0.31 0.09 0.00 0.00 0.00 0.00 34.83 34.49 3haj s MET 297 CO 0.29 -0.13 1.17 -0.80 0.00 0.00 0.00 175.02 175.56 3haj s ASN 298 N 0.90 6.44 0.04 1.11 0.01 -1.26 -5.01 114.94 117.18 3haj s ASN 298 Ca -0.08 -1.51 -0.30 0.00 -0.71 0.00 0.00 52.86 50.26 3haj s ASN 298 Cb -0.12 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3haj s ASN 298 CO -0.02 -1.33 1.00 0.26 -1.51 0.00 0.00 177.10 175.51 3haj s TRP 299 N 3.81 3.67 -0.06 2.20 0.52 -1.26 -5.37 118.94 122.44 3haj s TRP 299 Ca 0.33 1.68 0.00 0.00 0.02 0.00 0.00 56.10 58.13 3haj s TRP 299 Cb -0.07 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 3haj s TRP 299 CO -0.03 -0.12 0.02 -2.30 0.02 0.00 0.00 176.95 174.54