#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hah n ASP 17 N 0.00 1.11 -4.77 8.00 5.75 -1.26 -5.02 116.55 120.36 3hah n ASP 17 Ca 0.00 -1.45 -0.39 0.00 -0.01 0.00 0.00 54.79 52.94 3hah n ASP 17 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3hah n ASP 17 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hah s SER 18 N -0.45 6.43 0.43 -1.12 0.15 -1.26 -4.89 113.70 112.99 3hah s SER 18 Ca 0.00 2.56 0.24 0.00 0.70 0.00 0.00 55.95 59.45 3hah s SER 18 Cb 0.00 -2.63 1.24 0.00 -1.71 0.00 0.00 66.02 62.92 3hah s SER 18 CO 0.00 -0.76 1.74 0.15 1.20 0.00 0.00 173.24 175.57 3hah h PHE 19 N 2.75 0.54 0.00 3.44 3.04 -1.98 -1.07 116.94 123.66 3hah h PHE 19 Ca -0.49 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.37 3hah h PHE 19 Cb 1.24 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 3hah h PHE 19 CO 0.54 -0.01 -0.52 -1.49 -2.02 0.00 0.00 178.31 174.81 3hah h TRP 20 N 0.27 0.00 -3.58 0.41 4.06 -1.91 -3.37 115.95 111.83 3hah h TRP 20 Ca 0.65 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 61.05 3hah h TRP 20 Cb 1.88 0.00 0.19 0.00 -1.00 0.00 0.00 29.16 30.22 3hah h TRP 20 CO -0.00 0.52 -0.16 0.39 -3.56 0.00 0.00 178.44 175.62 3hah n GLU 21 N -3.68 0.22 -2.31 0.49 -0.58 -0.41 -4.85 120.64 109.52 3hah n GLU 21 Ca -0.01 0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 3hah n GLU 21 Cb 0.57 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 3hah n GLU 21 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hah s VAL 22 N -2.02 3.98 0.00 2.62 1.01 -1.26 -2.78 120.40 121.95 3hah s VAL 22 Ca 0.67 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3hah s VAL 22 Cb -0.31 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3hah s VAL 22 CO 0.56 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3hah n GLY 23 N 3.61 0.81 0.14 4.51 0.00 -1.26 -4.91 105.19 108.08 3hah n GLY 23 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3hah n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hah n ASN 24 N 0.00 0.42 0.18 1.61 3.02 -1.12 -3.10 115.26 116.27 3hah n ASN 24 Ca 0.00 -1.47 0.14 0.00 -0.03 0.00 0.00 54.58 53.21 3hah n ASN 24 Cb 0.00 -0.02 0.56 0.00 -0.61 0.00 0.00 39.78 39.71 3hah n ASN 24 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3hah h TYR 25 N 0.56 0.00 -0.92 3.10 -0.00 -1.81 -3.29 116.97 114.61 3hah h TYR 25 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 58.73 58.92 3hah h TYR 25 Cb 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 36.73 36.68 3hah h TYR 25 CO 0.02 0.00 -0.22 1.17 -0.00 0.00 0.00 178.16 179.14 3hah n LYS 26 N -2.50 -0.08 -0.13 0.10 4.81 -1.18 -0.59 118.16 118.60 3hah n LYS 26 Ca 0.01 1.43 0.03 0.00 -0.87 0.00 0.00 58.31 58.91 3hah n LYS 26 Cb 0.24 -2.14 0.34 0.00 0.02 0.00 0.00 35.03 33.49 3hah n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hah h ARG 27 N 0.00 0.76 0.00 1.64 3.08 -1.88 -0.88 114.38 117.11 3hah h ARG 27 Ca 0.45 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.36 3hah h ARG 27 Cb 0.69 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3hah h ARG 27 CO -0.94 0.50 -0.42 1.15 -1.07 0.00 0.00 179.97 179.19 3hah h THR 28 N 0.78 1.21 0.09 2.04 2.02 -1.10 -1.43 112.91 116.52 3hah h THR 28 Ca 0.24 -1.49 -0.21 0.00 0.77 0.00 0.00 66.41 65.72 3hah h THR 28 Cb -0.02 1.82 0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3hah h THR 28 CO -0.06 0.41 -0.89 0.58 0.37 0.00 0.00 175.52 175.94 3hah h VAL 29 N 0.00 1.41 -0.60 3.16 2.07 -0.98 -3.23 116.25 118.08 3hah h VAL 29 Ca -0.00 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.25 3hah h VAL 29 Cb 0.79 2.83 -0.07 0.00 -1.52 0.00 0.00 31.29 33.32 3hah h VAL 29 CO 0.05 0.69 0.23 0.50 0.02 0.00 0.00 177.57 179.07 3hah h LYS 30 N -0.07 0.41 -1.62 1.57 3.64 -1.09 -1.99 116.57 117.43 3hah h LYS 30 Ca -0.14 -0.02 0.47 0.00 -1.27 0.00 0.00 60.65 59.69 3hah h LYS 30 Cb 1.62 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.28 3hah h LYS 30 CO 0.17 0.27 1.15 -0.09 -2.27 0.00 0.00 179.45 178.69 3hah h ARG 31 N 0.42 0.01 0.01 1.90 2.43 -1.27 0.12 114.38 118.00 3hah h ARG 31 Ca 0.30 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3hah h ARG 31 Cb 0.35 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hah h ARG 31 CO -0.29 0.01 -0.00 0.82 -1.51 0.00 0.00 179.97 179.00 3hah h ILE 32 N 0.01 1.55 -0.50 1.20 2.04 -1.48 -2.08 117.51 118.26 3hah h ILE 32 Ca 0.79 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3hah h ILE 32 Cb 3.08 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 41.88 3hah h ILE 32 CO -0.05 0.45 0.28 0.44 0.00 0.00 0.00 178.15 179.27 3hah h ASP 33 N -0.79 0.61 -0.20 1.72 3.32 -1.12 -2.83 116.42 117.13 3hah h ASP 33 Ca -0.00 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hah h ASP 33 Cb 0.75 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3hah h ASP 33 CO 0.00 0.49 0.11 0.44 -1.72 0.00 0.00 179.24 178.56 3hah h ASP 34 N 0.69 0.25 -0.88 6.45 3.32 -0.79 -1.94 116.42 123.53 3hah h ASP 34 Ca 0.18 -0.08 0.21 0.00 0.02 0.00 0.00 57.03 57.36 3hah h ASP 34 Cb 0.01 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 3hah h ASP 34 CO -0.03 0.25 0.59 1.23 -1.72 0.00 0.00 179.24 179.56 3hah h GLY 35 N 0.22 0.69 0.93 2.75 0.00 -1.12 0.72 103.07 107.25 3hah h GLY 35 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3hah h GLY 35 CO -0.01 -0.00 -0.15 0.84 0.00 0.00 0.00 176.54 177.21 3hah h HIS 36 N 0.32 0.75 -0.03 5.60 -0.00 -1.28 -2.79 115.15 117.72 3hah h HIS 36 Ca 0.45 -0.19 -0.12 0.00 -0.00 0.00 0.00 60.37 60.51 3hah h HIS 36 Cb 1.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 3hah h HIS 36 CO -0.00 0.88 -0.54 0.07 -0.00 0.00 0.00 177.93 178.34 3hah h ARG 37 N 0.41 0.09 0.00 5.26 -0.00 -0.93 -2.40 114.38 116.81 3hah h ARG 37 Ca 0.07 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.98 59.94 3hah h ARG 37 Cb 0.68 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.65 3hah h ARG 37 CO 0.05 0.61 -0.26 -0.07 -0.00 0.00 0.00 179.97 180.30 3hah h LEU 38 N 0.07 0.00 -0.02 0.08 3.38 -0.86 0.11 115.31 118.07 3hah h LEU 38 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hah h LEU 38 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hah h LEU 38 CO 0.08 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3hah h ASN 40 N -0.20 -1.06 -0.68 0.00 2.35 -1.26 -0.58 115.58 114.15 3hah h ASN 40 Ca 0.01 0.14 0.14 0.00 -0.55 0.00 0.00 56.30 56.04 3hah h ASN 40 Cb 0.24 0.43 -0.10 0.00 0.05 0.00 0.00 38.32 38.94 3hah h ASN 40 CO 0.00 -0.39 0.13 0.44 -1.65 0.00 0.00 177.43 175.96 3hah h ASP 41 N -0.46 -0.04 -0.40 5.81 5.19 -0.63 0.78 116.42 126.67 3hah h ASP 41 Ca 0.08 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 3hah h ASP 41 Cb 0.58 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 3hah h ASP 41 CO -0.32 -0.03 0.18 0.25 -3.12 0.00 0.00 179.24 176.20 3hah h LEU 42 N 0.24 0.53 -0.20 1.55 5.85 -0.47 -1.37 115.31 121.45 3hah h LEU 42 Ca 0.37 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3hah h LEU 42 Cb 0.61 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3hah h LEU 42 CO -0.48 0.52 -0.15 0.24 -0.34 0.00 0.00 178.44 178.23 3hah h MET 43 N 0.51 -0.14 -0.49 1.25 2.86 0.49 -0.73 114.93 118.68 3hah h MET 43 Ca 0.14 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3hah h MET 43 Cb 0.14 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3hah h MET 43 CO -0.02 -0.10 0.09 -0.91 1.06 0.00 0.00 176.91 177.04 3hah h ASN 44 N -0.15 0.70 0.27 1.22 -0.26 -0.78 -0.70 115.58 115.87 3hah h ASN 44 Ca 0.12 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3hah h ASN 44 Cb 0.32 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3hah h ASN 44 CO -0.29 0.71 -0.13 0.00 -1.06 0.00 0.00 177.43 176.67 3hah h VAL 46 N -0.36 1.21 -0.10 0.00 2.07 -0.89 -2.38 116.25 115.80 3hah h VAL 46 Ca -0.04 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 3hah h VAL 46 Cb 0.28 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hah h VAL 46 CO 0.06 0.30 -0.29 -0.61 0.02 0.00 0.00 177.57 177.04 3hah h GLN 47 N 0.37 0.37 -0.63 1.57 4.15 -0.83 -1.74 115.11 118.36 3hah h GLN 47 Ca 0.07 -0.27 0.04 0.00 0.77 0.00 0.00 58.65 59.26 3hah h GLN 47 Cb 0.44 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 3hah h GLN 47 CO 0.02 0.89 0.41 0.93 -1.93 0.00 0.00 178.83 179.16 3hah h GLU 48 N -0.08 0.70 -0.22 1.69 5.08 -0.99 -1.80 114.58 118.95 3hah h GLU 48 Ca -0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3hah h GLU 48 Cb 0.91 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3hah h GLU 48 CO 0.06 0.46 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.84 3hah h ARG 49 N 0.72 0.74 -0.62 2.33 9.65 -1.26 -2.69 114.38 123.25 3hah h ARG 49 Ca 0.25 -0.50 -0.02 0.00 -1.10 0.00 0.00 59.98 58.61 3hah h ARG 49 Cb 0.11 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3hah h ARG 49 CO -0.07 1.13 0.28 0.00 2.80 0.00 0.00 179.97 184.11 3hah h ALA 50 N 0.76 1.34 -0.69 2.80 0.00 -0.67 -0.39 119.26 122.42 3hah h ALA 50 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hah h ALA 50 Cb 1.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hah h ALA 50 CO 0.12 0.51 0.22 -0.22 0.00 0.00 0.00 179.25 179.88 3hah h LYS 51 N 0.87 1.07 0.07 0.00 3.64 -1.13 -0.55 116.57 120.54 3hah h LYS 51 Ca 0.21 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hah h LYS 51 Cb 0.11 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3hah h LYS 51 CO -0.03 0.92 -0.03 0.82 -2.27 0.00 0.00 179.45 178.87 3hah h ILE 52 N 1.01 1.02 -0.53 2.00 2.04 -1.06 -1.48 117.51 120.51 3hah h ILE 52 Ca 0.22 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3hah h ILE 52 Cb 0.30 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3hah h ILE 52 CO -0.01 0.08 0.23 -0.33 0.00 0.00 0.00 178.15 178.12 3hah h GLU 53 N -0.23 0.42 -0.97 2.37 4.39 -0.88 -1.71 114.58 117.98 3hah h GLU 53 Ca -0.01 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.76 3hah h GLU 53 Cb 0.20 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.67 3hah h GLU 53 CO 0.02 0.28 0.61 -0.22 -1.16 0.00 0.00 179.01 178.53 3hah h LYS 54 N 0.43 1.00 0.29 2.33 3.64 -0.97 -1.65 116.57 121.65 3hah h LYS 54 Ca 0.25 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3hah h LYS 54 Cb 0.22 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3hah h LYS 54 CO -0.22 0.66 -0.14 0.00 -2.27 0.00 0.00 179.45 177.49 3hah h ALA 55 N 1.49 -0.39 -0.49 5.00 0.00 -0.34 -1.04 119.26 123.48 3hah h ALA 55 Ca 0.45 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.31 3hah h ALA 55 Cb 0.34 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3hah h ALA 55 CO -0.23 -0.63 -0.26 -0.92 0.00 0.00 0.00 179.25 177.22 3hah h TYR 56 N -0.58 -0.68 -0.74 0.00 3.20 -1.40 -0.58 116.97 116.19 3hah h TYR 56 Ca -0.04 0.06 0.16 0.00 3.14 0.00 0.00 58.73 62.05 3hah h TYR 56 Cb 0.42 0.37 -0.14 0.00 1.54 0.00 0.00 36.73 38.93 3hah h TYR 56 CO -0.01 -0.34 -0.10 0.78 -1.64 0.00 0.00 178.16 176.86 3hah h GLY 57 N -0.15 0.67 1.08 1.82 0.00 -0.87 -1.29 103.07 104.33 3hah h GLY 57 Ca 0.22 0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 3hah h GLY 57 CO -0.58 -0.29 -0.50 1.46 0.00 0.00 0.00 176.54 176.63 3hah h GLN 58 N 0.04 0.80 -0.56 4.80 1.08 0.17 -1.96 115.11 119.48 3hah h GLN 58 Ca 0.38 -0.51 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3hah h GLN 58 Cb 0.63 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3hah h GLN 58 CO -0.72 1.14 0.11 1.96 -0.95 0.00 0.00 178.83 180.37 3hah h GLN 59 N 0.56 0.88 -0.22 1.46 4.20 -0.61 0.11 115.11 121.48 3hah h GLN 59 Ca 0.01 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3hah h GLN 59 Cb 1.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 3hah h GLN 59 CO 0.11 0.81 0.02 -0.07 -0.67 0.00 0.00 178.83 179.03 3hah h LEU 60 N 0.84 0.36 -0.46 1.46 3.38 -1.22 -0.91 115.31 118.75 3hah h LEU 60 Ca 0.18 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hah h LEU 60 Cb 0.35 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3hah h LEU 60 CO 0.00 0.55 0.14 0.74 0.09 0.00 0.00 178.44 179.96 3hah h THR 61 N 0.15 0.81 -0.44 0.22 2.02 -0.78 0.11 112.91 115.00 3hah h THR 61 Ca 0.06 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3hah h THR 61 Cb 0.35 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hah h THR 61 CO 0.01 0.05 0.14 0.44 0.37 0.00 0.00 175.52 176.53 3hah h ASP 62 N 0.29 0.63 -0.56 4.18 3.32 -0.74 -2.20 116.42 121.34 3hah h ASP 62 Ca 0.22 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3hah h ASP 62 Cb 0.25 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3hah h ASP 62 CO -0.25 0.66 0.37 -0.25 -1.72 0.00 0.00 179.24 178.05 3hah h TRP 63 N 0.56 0.70 -0.29 4.55 7.01 -0.40 -0.91 115.95 127.17 3hah h TRP 63 Ca 0.14 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 3hah h TRP 63 Cb 0.25 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 3hah h TRP 63 CO 0.01 0.44 0.02 0.00 -2.79 0.00 0.00 178.44 176.13 3hah h ALA 64 N 1.21 1.50 0.06 2.65 0.00 -0.57 -1.63 119.26 122.48 3hah h ALA 64 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hah h ALA 64 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hah h ALA 64 CO -0.04 0.36 -0.03 -0.22 0.00 0.00 0.00 179.25 179.32 3hah h LYS 65 N 0.42 -0.08 -0.44 0.00 3.64 -0.79 -1.07 116.57 118.25 3hah h LYS 65 Ca 0.10 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3hah h LYS 65 Cb 0.25 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 3hah h LYS 65 CO 0.00 0.50 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.53 3hah h ARG 66 N -0.86 0.04 -0.03 1.90 2.43 -1.11 -2.35 114.38 114.40 3hah h ARG 66 Ca -0.01 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 3hah h ARG 66 Cb 0.62 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3hah h ARG 66 CO 0.01 0.02 -0.79 -1.49 -1.51 0.00 0.00 179.97 176.22 3hah h TRP 67 N 0.04 0.37 -0.98 2.20 4.06 -1.37 -1.32 115.95 118.94 3hah h TRP 67 Ca 0.21 -0.18 0.06 0.00 2.06 0.00 0.00 58.89 61.04 3hah h TRP 67 Cb 0.32 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.37 3hah h TRP 67 CO -0.35 0.95 0.64 -0.09 -3.56 0.00 0.00 178.44 176.03 3hah h ARG 68 N 0.17 1.13 0.25 0.49 2.43 -0.92 0.35 114.38 118.26 3hah h ARG 68 Ca -0.04 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3hah h ARG 68 Cb 1.38 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3hah h ARG 68 CO 0.12 0.75 -0.12 1.96 -1.51 0.00 0.00 179.97 181.17 3hah h GLN 69 N 1.16 -0.32 -0.86 0.20 1.08 -1.25 -1.96 115.11 113.17 3hah h GLN 69 Ca 0.42 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.75 3hah h GLN 69 Cb 0.14 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.58 3hah h GLN 69 CO -0.16 0.04 0.56 -0.07 -0.95 0.00 0.00 178.83 178.25 3hah h LEU 70 N -0.78 0.70 -0.07 1.46 3.38 -0.96 -0.91 115.31 118.12 3hah h LEU 70 Ca -0.03 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3hah h LEU 70 Cb 0.51 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hah h LEU 70 CO 0.06 0.40 -1.03 0.40 0.09 0.00 0.00 178.44 178.35 3hah h ILE 71 N 0.77 1.36 0.16 1.22 2.04 -0.98 -1.26 117.51 120.82 3hah h ILE 71 Ca 0.41 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3hah h ILE 71 Cb 0.53 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3hah h ILE 71 CO -0.17 0.74 -0.13 -0.08 0.00 0.00 0.00 178.15 178.50 3hah h GLU 72 N 0.27 -0.29 0.00 2.37 4.57 -0.81 -2.88 114.58 117.80 3hah h GLU 72 Ca -0.11 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3hah h GLU 72 Cb 1.68 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 3hah h GLU 72 CO 0.19 -0.20 0.00 1.63 -1.18 0.00 0.00 179.01 179.45 3hah n LYS 73 N -5.25 0.29 -1.42 1.92 5.02 -0.40 -4.86 118.16 113.46 3hah n LYS 73 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 3hah n LYS 73 Cb 0.17 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.88 3hah n LYS 73 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hah s GLY 74 N -2.71 1.63 0.00 0.72 0.00 -0.48 -4.95 107.32 101.53 3hah s GLY 74 Ca 0.24 -0.85 0.15 0.00 0.00 0.00 0.00 44.72 44.25 3hah s GLY 74 CO 0.48 -0.10 1.51 -1.05 0.00 0.00 0.00 173.10 173.94 3hah n PRO 75 N -4.21 1.18 -3.00 2.90 -0.02 -1.26 -4.87 135.00 125.72 3hah n PRO 75 Ca 0.11 -0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 3hah n PRO 75 Cb 0.59 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.78 3hah n PRO 75 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hah s GLN 76 N -1.93 4.39 0.27 -0.52 2.00 -1.26 -5.05 119.66 117.56 3hah s GLN 76 Ca 0.23 0.91 0.03 0.00 -2.00 0.00 0.00 55.36 54.53 3hah s GLN 76 Cb 0.11 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.37 3hah s GLN 76 CO 0.18 -0.06 0.04 1.52 -0.50 0.00 0.00 175.29 176.46 3hah s TYR 77 N 1.23 1.72 0.00 1.67 1.13 -1.26 -4.71 117.35 117.13 3hah s TYR 77 Ca 0.37 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 3hah s TYR 77 Cb -0.17 -1.05 0.00 0.00 -1.10 0.00 0.00 41.96 39.64 3hah s TYR 77 CO 0.16 -0.07 0.00 0.41 -2.51 0.00 0.00 175.55 173.55 3hah n GLY 78 N -0.53 0.20 0.28 5.49 0.00 -1.26 -3.28 105.19 106.09 3hah n GLY 78 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 3hah n GLY 78 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hah h SER 79 N 2.49 -0.78 0.39 1.61 0.02 -1.96 -1.26 113.55 114.05 3hah h SER 79 Ca 0.00 0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3hah h SER 79 Cb 0.00 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hah h SER 79 CO 0.00 -0.25 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.23 3hah h LEU 80 N -0.05 0.00 -0.10 5.07 4.07 -1.88 0.15 115.31 122.56 3hah h LEU 80 Ca 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 3hah h LEU 80 Cb 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 3hah h LEU 80 CO -0.69 0.14 -0.05 -0.08 -1.08 0.00 0.00 178.44 176.68 3hah h GLU 81 N 0.00 0.20 -0.96 1.13 4.81 -1.22 -1.01 114.58 117.54 3hah h GLU 81 Ca -0.00 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3hah h GLU 81 Cb 0.38 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3hah h GLU 81 CO 0.02 0.57 0.62 0.00 -0.73 0.00 0.00 179.01 179.49 3hah h ARG 82 N -0.16 1.12 -0.08 1.92 3.08 -0.82 0.10 114.38 119.54 3hah h ARG 82 Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hah h ARG 82 Cb 0.51 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hah h ARG 82 CO 0.01 0.74 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 3hah h ALA 83 N 1.46 0.11 -0.93 0.04 0.00 -0.69 0.64 119.26 119.89 3hah h ALA 83 Ca 0.40 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hah h ALA 83 Cb 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3hah h ALA 83 CO -0.14 -0.15 0.61 2.35 0.00 0.00 0.00 179.25 181.92 3hah h TRP 84 N -0.20 1.18 0.00 0.00 7.01 -1.00 -1.53 115.95 121.40 3hah h TRP 84 Ca 0.02 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 3hah h TRP 84 Cb 0.45 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 3hah h TRP 84 CO 0.06 0.75 -0.21 0.78 -2.79 0.00 0.00 178.44 177.03 3hah h GLY 85 N 1.26 0.00 2.00 2.65 0.00 -0.55 -2.47 103.07 105.96 3hah h GLY 85 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hah h GLY 85 CO -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.46 3hah h ALA 86 N 1.79 1.05 -0.05 3.60 0.00 0.21 -2.02 119.26 123.85 3hah h ALA 86 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hah h ALA 86 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hah h ALA 86 CO 0.03 0.01 -0.11 0.82 0.00 0.00 0.00 179.25 179.99 3hah h ILE 87 N 0.00 1.43 -0.77 0.00 2.04 -1.48 -2.85 117.51 115.88 3hah h ILE 87 Ca -0.00 -1.46 0.19 0.00 1.00 0.00 0.00 64.86 64.58 3hah h ILE 87 Cb 0.15 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 3hah h ILE 87 CO 0.00 0.40 0.53 0.24 0.00 0.00 0.00 178.15 179.32 3hah h MET 88 N -0.35 0.24 -0.25 2.37 2.86 -1.50 0.12 114.93 118.42 3hah h MET 88 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3hah h MET 88 Cb 0.71 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3hah h MET 88 CO 0.03 0.16 0.00 1.15 1.06 0.00 0.00 176.91 179.30 3hah h THR 89 N 0.24 1.25 -0.10 2.22 2.02 -1.45 -1.74 112.91 115.36 3hah h THR 89 Ca 0.38 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3hah h THR 89 Cb 1.14 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3hah h THR 89 CO -0.09 0.28 -0.11 1.05 0.37 0.00 0.00 175.52 177.02 3hah h GLU 90 N 0.21 0.15 -0.74 6.66 -0.00 -0.59 0.53 114.58 120.80 3hah h GLU 90 Ca 0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 59.36 59.41 3hah h GLU 90 Cb 0.40 -0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 29.09 3hah h GLU 90 CO 0.01 0.27 0.49 0.00 -0.00 0.00 0.00 179.01 179.79 3hah h ALA 91 N 1.74 0.94 -0.29 1.06 0.00 -0.89 0.12 119.26 121.95 3hah h ALA 91 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hah h ALA 91 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hah h ALA 91 CO 0.02 0.36 0.02 -0.44 0.00 0.00 0.00 179.25 179.21 3hah h ASP 92 N 1.01 0.48 -0.31 0.00 3.32 -0.12 -0.77 116.42 120.03 3hah h ASP 92 Ca 0.27 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3hah h ASP 92 Cb -0.12 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3hah h ASP 92 CO -0.06 0.65 0.03 0.11 -1.72 0.00 0.00 179.24 178.25 3hah h LYS 93 N 0.30 0.53 -0.02 3.56 1.57 -0.79 -2.21 116.57 119.50 3hah h LYS 93 Ca 0.08 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hah h LYS 93 Cb 0.39 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3hah h LYS 93 CO 0.01 0.65 -0.10 0.28 -0.57 0.00 0.00 179.45 179.72 3hah h VAL 94 N 0.34 1.09 0.22 0.50 2.07 -0.68 -1.82 116.25 117.96 3hah h VAL 94 Ca 0.09 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3hah h VAL 94 Cb 0.39 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hah h VAL 94 CO 0.01 0.12 -0.10 -1.28 0.02 0.00 0.00 177.57 176.33 3hah h SER 95 N 0.03 -0.25 -0.55 0.57 0.87 -0.82 -2.54 113.55 110.87 3hah h SER 95 Ca 0.01 -0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.54 3hah h SER 95 Cb 0.20 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.11 3hah h SER 95 CO 0.01 -0.00 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.05 3hah h GLU 96 N -0.49 -0.05 -0.75 2.24 4.81 -0.89 0.33 114.58 119.79 3hah h GLU 96 Ca -0.03 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3hah h GLU 96 Cb 0.37 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3hah h GLU 96 CO 0.05 -0.03 0.42 -0.07 -0.73 0.00 0.00 179.01 178.64 3hah h LEU 97 N -0.05 0.60 -0.67 1.64 3.38 -1.28 -0.58 115.31 118.36 3hah h LEU 97 Ca 0.26 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3hah h LEU 97 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hah h LEU 97 CO -0.59 0.36 -0.63 0.45 0.09 0.00 0.00 178.44 178.12 3hah h HIS 98 N 0.73 0.17 0.00 1.13 3.86 -0.74 -1.75 115.15 118.55 3hah h HIS 98 Ca 0.35 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 3hah h HIS 98 Cb 0.29 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3hah h HIS 98 CO -0.08 0.73 -0.19 1.96 0.86 0.00 0.00 177.93 181.21 3hah h GLN 99 N 0.10 0.00 0.01 2.45 1.08 0.46 -1.78 115.11 117.44 3hah h GLN 99 Ca -0.01 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 3hah h GLN 99 Cb 1.14 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 3hah h GLN 99 CO 0.09 0.19 -1.24 1.49 -0.95 0.00 0.00 178.83 178.41 3hah h GLU 100 N 0.00 0.03 -0.26 1.46 4.81 -0.75 -1.89 114.58 117.98 3hah h GLU 100 Ca -0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3hah h GLU 100 Cb 0.47 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3hah h GLU 100 CO 0.02 0.88 0.06 0.28 -0.73 0.00 0.00 179.01 179.53 3hah h VAL 101 N 0.01 0.89 -0.64 0.32 2.07 -0.84 0.10 116.25 118.16 3hah h VAL 101 Ca -0.11 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hah h VAL 101 Cb 1.86 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3hah h VAL 101 CO 0.12 0.03 0.42 0.50 0.02 0.00 0.00 177.57 178.66 3hah h LYS 102 N 0.16 0.83 -0.06 1.57 3.64 -1.32 0.36 116.57 121.75 3hah h LYS 102 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hah h LYS 102 Cb 0.11 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hah h LYS 102 CO -0.15 0.55 0.03 -0.97 -2.27 0.00 0.00 179.45 176.64 3hah h ASN 103 N 0.85 0.08 -0.81 4.20 -1.24 -0.89 -1.92 115.58 115.85 3hah h ASN 103 Ca 0.24 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 3hah h ASN 103 Cb -0.08 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 3hah h ASN 103 CO -0.06 0.18 0.48 0.78 -1.29 0.00 0.00 177.43 177.51 3hah h ASN 104 N -0.03 0.99 -0.85 1.15 2.35 -0.43 0.48 115.58 119.25 3hah h ASN 104 Ca 0.02 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3hah h ASN 104 Cb 0.12 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3hah h ASN 104 CO -0.00 0.77 0.43 -0.07 -1.65 0.00 0.00 177.43 176.91 3hah h LEU 105 N 1.13 1.09 0.01 1.61 3.38 -0.70 -1.13 115.31 120.70 3hah h LEU 105 Ca 0.29 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hah h LEU 105 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3hah h LEU 105 CO -0.05 0.90 -0.44 -0.07 0.09 0.00 0.00 178.44 178.87 3hah h LEU 106 N 1.20 0.02 0.00 1.67 3.38 -0.83 0.80 115.31 121.55 3hah h LEU 106 Ca 0.29 -0.84 -0.24 0.00 0.09 0.00 0.00 57.88 57.18 3hah h LEU 106 Cb 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3hah h LEU 106 CO -0.04 1.17 -1.26 0.78 0.09 0.00 0.00 178.44 179.18 3hah h ASN 107 N -0.97 0.01 0.00 -0.43 -0.26 -0.12 -3.15 115.58 110.66 3hah h ASN 107 Ca -0.12 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3hah h ASN 107 Cb 1.12 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 3hah h ASN 107 CO -0.06 1.01 -0.91 -0.62 -1.06 0.00 0.00 177.43 175.78 3hah n GLU 108 N -3.24 0.51 0.10 0.81 -0.58 -0.52 -4.52 120.64 113.20 3hah n GLU 108 Ca -0.06 0.25 -0.05 0.00 -0.42 0.00 0.00 57.16 56.87 3hah n GLU 108 Cb 0.98 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 3hah n GLU 108 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hah h ASP 109 N -0.98 -0.29 -0.74 1.62 3.32 -1.37 -2.21 116.42 115.78 3hah h ASP 109 Ca 0.00 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.20 3hah h ASP 109 Cb 0.91 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 3hah h ASP 109 CO 0.00 0.11 0.27 0.25 -1.72 0.00 0.00 179.24 178.15 3hah h LEU 110 N -0.98 0.22 -0.79 1.55 6.46 -0.96 -0.71 115.31 120.10 3hah h LEU 110 Ca -0.04 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3hah h LEU 110 Cb 0.26 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 3hah h LEU 110 CO 0.06 0.08 0.43 -0.08 -0.62 0.00 0.00 178.44 178.30 3hah h GLU 111 N 0.40 1.11 -0.28 1.25 4.57 -1.65 -2.10 114.58 117.87 3hah h GLU 111 Ca 0.41 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 3hah h GLU 111 Cb 0.62 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3hah h GLU 111 CO -0.42 0.82 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.01 3hah h LYS 112 N 1.10 0.07 -0.17 1.92 3.64 -0.48 -1.73 116.57 120.92 3hah h LYS 112 Ca 0.28 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 3hah h LYS 112 Cb 0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hah h LYS 112 CO -0.04 0.05 -0.35 -0.39 -2.27 0.00 0.00 179.45 176.44 3hah h VAL 113 N 0.07 1.29 -0.38 2.00 -1.51 -1.23 -2.29 116.25 114.20 3hah h VAL 113 Ca 0.14 -1.42 0.02 0.00 -1.23 0.00 0.00 66.70 64.20 3hah h VAL 113 Cb 0.18 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 3hah h VAL 113 CO -0.24 0.44 0.22 0.50 -1.23 0.00 0.00 177.57 177.26 3hah h LYS 114 N 0.31 0.44 -0.03 5.19 3.64 -0.90 0.55 116.57 125.78 3hah h LYS 114 Ca 0.04 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 3hah h LYS 114 Cb 0.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3hah h LYS 114 CO 0.06 0.29 -0.62 -0.91 -2.27 0.00 0.00 179.45 176.00 3hah h ASN 115 N 0.45 0.13 -0.16 4.20 2.35 -1.23 -0.90 115.58 120.42 3hah h ASN 115 Ca 0.15 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3hah h ASN 115 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hah h ASN 115 CO -0.07 0.72 -0.30 -0.25 -1.65 0.00 0.00 177.43 175.88 3hah h TRP 116 N 0.08 0.62 -0.99 1.19 7.01 -1.10 -2.75 115.95 120.00 3hah h TRP 116 Ca -0.01 -0.22 0.01 0.00 2.11 0.00 0.00 58.89 60.79 3hah h TRP 116 Cb 1.12 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 28.01 3hah h TRP 116 CO 0.01 0.93 0.66 0.37 -2.79 0.00 0.00 178.44 177.62 3hah h GLN 117 N 0.13 1.30 -0.30 2.65 4.15 0.29 -1.08 115.11 122.25 3hah h GLN 117 Ca 0.01 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 3hah h GLN 117 Cb 0.89 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3hah h GLN 117 CO 0.07 0.86 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.40 3hah h LYS 118 N 1.34 0.56 0.00 1.69 3.64 -1.15 -2.46 116.57 120.19 3hah h LYS 118 Ca 0.37 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hah h LYS 118 Cb -0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3hah h LYS 118 CO -0.08 0.74 -0.69 -0.44 -2.27 0.00 0.00 179.45 176.71 3hah h ASP 119 N 0.50 0.00 0.58 4.20 3.32 -1.15 -3.36 116.42 120.51 3hah h ASP 119 Ca 0.08 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 3hah h ASP 119 Cb 0.64 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3hah h ASP 119 CO 0.05 0.03 -1.55 0.00 -1.72 0.00 0.00 179.24 176.05 3hah n ALA 120 N -2.04 2.00 -3.01 3.45 0.00 -0.45 -4.92 120.51 115.55 3hah n ALA 120 Ca 0.02 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.61 3hah n ALA 120 Cb 0.51 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.93 3hah n ALA 120 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hah s TYR 121 N -2.96 1.47 -0.34 0.00 2.02 -0.94 -4.93 117.35 111.66 3hah s TYR 121 Ca -0.04 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3hah s TYR 121 Cb 0.09 -1.01 0.11 0.00 -0.40 0.00 0.00 41.96 40.75 3hah s TYR 121 CO 0.82 -0.16 0.11 -1.01 -1.57 0.00 0.00 175.55 173.74 3hah s HIS 122 N 0.16 2.22 0.50 2.71 3.76 -1.26 -4.75 115.29 118.62 3hah s HIS 122 Ca -0.05 -2.15 -0.23 0.00 -0.15 0.00 0.00 55.06 52.48 3hah s HIS 122 Cb -0.11 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.49 3hah s HIS 122 CO 0.02 -0.88 1.33 0.21 -0.85 0.00 0.00 174.74 174.58 3hah s LYS 123 N 1.23 3.45 0.03 1.40 2.20 -1.26 -1.05 119.74 125.74 3hah s LYS 123 Ca 0.11 2.19 -0.00 0.00 -0.36 0.00 0.00 55.97 57.91 3hah s LYS 123 Cb -0.19 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 3hah s LYS 123 CO -0.17 -0.93 0.16 -0.65 -0.36 0.00 0.00 175.35 173.40 3hah s GLN 124 N -2.70 3.30 0.28 4.03 -1.52 -0.09 -4.84 119.66 118.12 3hah s GLN 124 Ca 0.66 -0.45 0.01 0.00 -1.95 0.00 0.00 55.36 53.64 3hah s GLN 124 Cb -0.39 -2.98 0.57 0.00 -0.22 0.00 0.00 33.01 29.98 3hah s GLN 124 CO 0.48 0.63 1.81 0.82 -0.25 0.00 0.00 175.29 178.78 3hah h ILE 125 N 2.56 0.85 -2.32 1.08 5.03 -1.95 -2.85 117.51 119.92 3hah h ILE 125 Ca -0.47 -0.30 -0.65 0.00 -0.12 0.00 0.00 64.86 63.32 3hah h ILE 125 Cb 1.17 -0.11 -0.38 0.00 -3.03 0.00 0.00 36.82 34.48 3hah h ILE 125 CO 0.70 0.16 -0.21 0.23 -0.68 0.00 0.00 178.15 178.36 3hah n MET 126 N -4.69 3.56 0.00 2.37 2.81 -1.26 -4.99 117.12 114.91 3hah n MET 126 Ca 0.19 -4.76 0.00 0.00 -1.81 0.00 0.00 57.70 51.32 3hah n MET 126 Cb 0.40 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 3hah n MET 126 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hah n GLY 127 N 0.21 1.89 1.37 3.03 0.00 -1.08 -5.13 105.19 105.49 3hah n GLY 127 Ca 0.33 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 45.27 3hah n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hah n GLY 128 N 2.14 -2.05 3.81 -0.02 0.00 -1.26 -4.45 105.19 103.36 3hah n GLY 128 Ca 0.00 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 3hah n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hah s PHE 129 N -1.34 3.78 0.14 1.61 0.08 -1.26 -0.91 117.98 120.07 3hah s PHE 129 Ca 0.00 1.20 -0.29 0.00 0.12 0.00 0.00 56.93 57.96 3hah s PHE 129 Cb 0.00 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3hah s PHE 129 CO 0.00 0.59 1.57 -0.22 -0.10 0.00 0.00 175.22 177.06 3hah h LYS 130 N 4.65 -0.39 0.00 0.44 3.64 -1.42 -1.45 116.57 122.04 3hah h LYS 130 Ca -0.50 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hah h LYS 130 Cb 1.21 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3hah h LYS 130 CO 0.63 -0.26 0.00 1.05 -2.27 0.00 0.00 179.45 178.60 3hah h GLU 131 N -0.40 0.00 0.17 1.90 9.09 -1.92 -1.39 114.58 122.03 3hah h GLU 131 Ca 0.10 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.25 3hah h GLU 131 Cb 0.61 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.74 3hah h GLU 131 CO -0.53 0.00 -1.12 1.15 0.05 0.00 0.00 179.01 178.56 3hah h THR 132 N 0.00 1.38 -0.21 -1.06 2.02 -1.65 -3.15 112.91 110.24 3hah h THR 132 Ca 0.00 -2.54 -0.02 0.00 0.77 0.00 0.00 66.41 64.61 3hah h THR 132 Cb 0.15 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3hah h THR 132 CO 0.00 0.75 0.03 0.11 0.37 0.00 0.00 175.52 176.78 3hah h LYS 133 N -0.03 0.34 -0.84 6.66 1.79 -0.88 -1.41 116.57 122.19 3hah h LYS 133 Ca -0.19 -0.09 0.20 0.00 -2.18 0.00 0.00 60.65 58.39 3hah h LYS 133 Cb 1.86 -0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 32.35 3hah h LYS 133 CO 0.21 0.50 0.31 1.49 -1.08 0.00 0.00 179.45 180.88 3hah h GLU 134 N 0.14 0.33 -0.41 3.15 4.81 -1.45 0.34 114.58 121.49 3hah h GLU 134 Ca 0.06 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 3hah h GLU 134 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hah h GLU 134 CO 0.00 0.22 -0.33 0.00 -0.73 0.00 0.00 179.01 178.17 3hah h ALA 135 N 1.68 0.59 -0.08 2.92 0.00 -1.39 -1.31 119.26 121.67 3hah h ALA 135 Ca 0.51 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3hah h ALA 135 Cb 0.94 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hah h ALA 135 CO -0.53 0.66 -0.77 1.49 0.00 0.00 0.00 179.25 180.09 3hah h GLU 136 N 0.77 0.47 -0.41 0.00 4.81 0.12 -1.67 114.58 118.67 3hah h GLU 136 Ca 0.07 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3hah h GLU 136 Cb 0.92 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3hah h GLU 136 CO 0.09 1.04 0.27 -0.44 -0.73 0.00 0.00 179.01 179.23 3hah h ASP 137 N 0.31 0.47 -0.49 1.04 3.32 -0.41 -0.83 116.42 119.84 3hah h ASP 137 Ca -0.04 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.08 3hah h ASP 137 Cb 1.37 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 3hah h ASP 137 CO 0.14 0.35 0.06 1.23 -1.72 0.00 0.00 179.24 179.30 3hah h GLY 138 N 0.55 0.56 1.13 2.75 0.00 -0.89 -0.57 103.07 106.61 3hah h GLY 138 Ca 0.15 0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 3hah h GLY 138 CO -0.03 -0.09 -0.59 0.74 0.00 0.00 0.00 176.54 176.57 3hah h PHE 139 N 0.19 1.08 0.66 5.60 0.04 -1.12 -2.01 116.94 121.38 3hah h PHE 139 Ca 0.25 -0.41 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3hah h PHE 139 Cb 0.34 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3hah h PHE 139 CO -0.25 1.23 -0.38 0.00 -0.60 0.00 0.00 178.31 178.31 3hah h ARG 140 N 0.61 -0.93 -0.64 1.51 3.08 -0.89 0.57 114.38 117.69 3hah h ARG 140 Ca -0.00 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.19 3hah h ARG 140 Cb 1.20 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 31.36 3hah h ARG 140 CO 0.13 -0.62 -0.53 -0.22 -1.07 0.00 0.00 179.97 177.66 3hah h LYS 141 N -0.97 -0.22 -0.52 0.04 3.64 -1.16 0.51 116.57 117.89 3hah h LYS 141 Ca -0.09 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.46 3hah h LYS 141 Cb 0.76 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3hah h LYS 141 CO 0.11 -0.15 0.42 0.00 -2.27 0.00 0.00 179.45 177.56 3hah h ALA 142 N 0.33 2.39 -0.02 5.00 0.00 -1.31 -1.55 119.26 124.11 3hah h ALA 142 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hah h ALA 142 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hah h ALA 142 CO -0.73 -0.69 -0.35 0.94 0.00 0.00 0.00 179.25 178.42 3hah n GLN 143 N -4.13 1.49 0.20 0.00 7.27 0.11 -4.64 117.38 117.69 3hah n GLN 143 Ca 0.10 -1.05 -0.15 0.00 0.07 0.00 0.00 57.00 55.96 3hah n GLN 143 Cb 0.64 -1.39 -0.08 0.00 2.41 0.00 0.00 30.24 31.81 3hah n GLN 143 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3hah h LYS 144 N 2.48 -0.76 0.11 3.69 1.63 0.86 -1.89 116.57 122.68 3hah h LYS 144 Ca 0.00 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3hah h LYS 144 Cb 0.70 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 3hah h LYS 144 CO 0.00 -0.51 -0.05 -1.35 -3.45 0.00 0.00 179.45 174.09 3hah h PRO 145 N -0.79 -0.14 -0.86 1.90 0.11 -1.82 -2.89 132.00 127.52 3hah h PRO 145 Ca -0.04 0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.32 3hah h PRO 145 Cb 0.71 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 3hah h PRO 145 CO -0.11 0.02 0.61 2.35 -0.21 0.00 0.00 178.00 180.65 3hah h TRP 146 N -0.26 0.06 0.08 0.65 2.91 -1.81 0.22 115.95 117.79 3hah h TRP 146 Ca -0.01 0.00 -0.25 0.00 1.13 0.00 0.00 58.89 59.75 3hah h TRP 146 Cb 0.21 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 3hah h TRP 146 CO -0.03 0.01 -1.18 0.00 -1.03 0.00 0.00 178.44 176.21 3hah h ALA 147 N 1.58 0.22 0.93 2.65 0.00 -1.14 -1.75 119.26 121.75 3hah h ALA 147 Ca 0.41 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3hah h ALA 147 Cb 1.58 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.35 3hah h ALA 147 CO -0.02 1.10 -0.45 -0.22 0.00 0.00 0.00 179.25 179.66 3hah h LYS 148 N 0.04 -1.21 -0.91 0.00 3.64 -0.46 -1.03 116.57 116.65 3hah h LYS 148 Ca -0.10 0.08 0.23 0.00 -1.27 0.00 0.00 60.65 59.59 3hah h LYS 148 Cb 1.90 0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 33.94 3hah h LYS 148 CO 0.17 -0.81 0.62 0.87 -2.27 0.00 0.00 179.45 178.03 3hah h LYS 149 N -1.29 0.24 0.00 1.90 1.79 -1.43 0.15 116.57 117.94 3hah h LYS 149 Ca -0.13 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3hah h LYS 149 Cb 0.96 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3hah h LYS 149 CO 0.21 0.16 0.00 1.98 -1.08 0.00 0.00 179.45 180.72 3hah h MET 150 N 0.24 0.00 0.12 3.15 4.05 -0.80 0.07 114.93 121.76 3hah h MET 150 Ca 0.46 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.55 3hah h MET 150 Cb 1.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.19 3hah h MET 150 CO -0.12 0.00 -1.77 -0.22 0.23 0.00 0.00 176.91 175.03 3hah h LYS 151 N 0.00 0.25 -0.94 0.39 3.64 0.57 -3.21 116.57 117.27 3hah h LYS 151 Ca 0.00 -0.43 0.14 0.00 -1.27 0.00 0.00 60.65 59.09 3hah h LYS 151 Cb 0.78 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 3hah h LYS 151 CO 0.00 1.20 0.60 0.93 -2.27 0.00 0.00 179.45 179.91 3hah h GLU 152 N -0.12 0.78 0.00 1.90 5.08 -1.06 0.84 114.58 122.00 3hah h GLU 152 Ca -0.38 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3hah h GLU 152 Cb 1.91 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 3hah h GLU 152 CO 0.06 0.52 -0.09 1.25 -1.00 0.00 0.00 179.01 179.75 3hah h LEU 153 N 0.81 0.00 0.16 1.33 5.85 -1.07 -1.97 115.31 120.42 3hah h LEU 153 Ca 0.47 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.90 3hah h LEU 153 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hah h LEU 153 CO -0.24 0.09 -1.31 -0.08 -0.34 0.00 0.00 178.44 176.56 3hah h GLU 154 N 0.00 0.35 0.33 1.25 4.57 -0.86 -2.62 114.58 117.60 3hah h GLU 154 Ca -0.00 -0.59 -0.02 0.00 -1.18 0.00 0.00 59.36 57.57 3hah h GLU 154 Cb 0.52 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3hah h GLU 154 CO 0.01 1.28 -0.16 0.00 -1.18 0.00 0.00 179.01 178.96 3hah h ALA 155 N 0.46 -0.98 -0.86 2.92 0.00 -1.10 -2.51 119.26 117.19 3hah h ALA 155 Ca -0.17 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.82 3hah h ALA 155 Cb 2.03 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 19.83 3hah h ALA 155 CO 0.22 -0.94 -0.19 0.00 0.00 0.00 0.00 179.25 178.34 3hah n ALA 156 N -2.27 0.23 -0.06 0.00 0.00 -0.76 -1.03 120.51 116.62 3hah n ALA 156 Ca -0.06 0.94 -0.03 0.00 0.00 0.00 0.00 53.44 54.30 3hah n ALA 156 Cb 0.18 -0.58 0.20 0.00 0.00 0.00 0.00 19.45 19.25 3hah n ALA 156 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hah h LYS 157 N 0.00 0.67 0.03 0.00 3.64 -1.36 -1.76 116.57 117.80 3hah h LYS 157 Ca 0.42 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3hah h LYS 157 Cb 0.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hah h LYS 157 CO -0.88 0.71 -0.02 0.87 -2.27 0.00 0.00 179.45 177.87 3hah h LYS 158 N 0.62 -0.04 -0.99 1.90 1.57 -0.63 -2.63 116.57 116.38 3hah h LYS 158 Ca 0.12 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.01 3hah h LYS 158 Cb 0.45 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 3hah h LYS 158 CO 0.02 0.63 -0.54 0.00 -0.57 0.00 0.00 179.45 179.00 3hah n ALA 159 N -2.54 -0.52 -0.29 3.86 0.00 -0.53 0.27 120.51 120.77 3hah n ALA 159 Ca -0.08 0.87 -0.00 0.00 0.00 0.00 0.00 53.44 54.23 3hah n ALA 159 Cb 0.34 -0.21 0.12 0.00 0.00 0.00 0.00 19.45 19.71 3hah n ALA 159 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3hah h TYR 160 N 0.00 0.91 -0.13 0.00 3.20 -1.39 -1.23 116.97 118.33 3hah h TYR 160 Ca 0.20 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 3hah h TYR 160 Cb 0.45 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3hah h TYR 160 CO -0.98 0.47 -0.36 0.45 -1.64 0.00 0.00 178.16 176.09 3hah h HIS 161 N 0.91 0.30 0.26 -3.82 3.86 -0.51 -1.99 115.15 114.16 3hah h HIS 161 Ca 0.35 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 3hah h HIS 161 Cb 0.15 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3hah h HIS 161 CO -0.04 0.60 -0.12 1.25 0.86 0.00 0.00 177.93 180.47 3hah h LEU 162 N 0.23 -0.29 -0.91 2.43 6.46 0.53 -2.20 115.31 121.56 3hah h LEU 162 Ca 0.03 -0.21 0.25 0.00 -0.12 0.00 0.00 57.88 57.83 3hah h LEU 162 Cb 0.74 0.08 -0.15 0.00 -0.73 0.00 0.00 40.66 40.60 3hah h LEU 162 CO 0.06 0.09 0.21 0.00 -0.62 0.00 0.00 178.44 178.18 3hah h ALA 163 N -0.13 1.31 0.07 1.25 0.00 -1.19 0.12 119.26 120.69 3hah h ALA 163 Ca -0.04 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hah h ALA 163 Cb 0.49 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hah h ALA 163 CO 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.75 3hah h LYS 165 N -0.10 0.07 -0.86 0.00 3.64 -0.57 -0.83 116.57 117.90 3hah h LYS 165 Ca -0.01 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 3hah h LYS 165 Cb 0.08 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.77 3hah h LYS 165 CO 0.01 0.04 0.37 1.49 -2.27 0.00 0.00 179.45 179.09 3hah h GLU 166 N 0.07 0.40 -0.10 1.90 4.57 -0.76 -1.60 114.58 119.06 3hah h GLU 166 Ca 0.02 -0.02 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 3hah h GLU 166 Cb -0.00 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3hah h GLU 166 CO -0.01 0.27 -0.84 1.49 -1.18 0.00 0.00 179.01 178.74 3hah h GLU 167 N 0.42 0.69 -0.16 1.92 4.81 -0.83 -2.44 114.58 118.98 3hah h GLU 167 Ca 0.52 -0.61 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3hah h GLU 167 Cb 0.94 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3hah h GLU 167 CO -0.50 1.21 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.57 3hah h LYS 168 N 0.45 0.27 -0.17 1.92 3.11 -0.35 -1.64 116.57 120.17 3hah h LYS 168 Ca -0.07 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.63 3hah h LYS 168 Cb 1.46 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.66 3hah h LYS 168 CO 0.16 0.48 -0.15 1.25 -2.81 0.00 0.00 179.45 178.38 3hah h LEU 169 N 0.25 0.43 -0.76 5.20 7.12 -1.31 -3.27 115.31 122.97 3hah h LEU 169 Ca 0.04 -0.47 0.02 0.00 0.13 0.00 0.00 57.88 57.61 3hah h LEU 169 Cb 0.52 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 3hah h LEU 169 CO 0.03 0.81 0.49 0.00 -0.13 0.00 0.00 178.44 179.64 3hah h ALA 170 N 0.63 0.98 -1.82 1.25 0.00 -0.91 -3.52 119.26 115.87 3hah h ALA 170 Ca 0.03 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3hah h ALA 170 Cb 0.68 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 18.04 3hah h ALA 170 CO 0.04 0.30 0.78 0.00 0.00 0.00 0.00 179.25 180.38 3hah s MET 171 N -6.12 3.47 0.00 0.00 0.23 -0.67 -4.89 119.30 111.33 3hah s MET 171 Ca -0.13 -1.50 0.00 0.00 -1.03 0.00 0.00 55.69 53.03 3hah s MET 171 Cb 0.16 -4.76 0.00 0.00 -1.53 0.00 0.00 34.83 28.69 3hah s MET 171 CO 0.78 -1.80 0.00 1.04 -2.03 0.00 0.00 175.02 173.01 3hah n GLN 192 N 6.94 1.36 0.02 3.16 3.00 -1.26 -4.99 117.38 125.61 3hah n GLN 192 Ca 0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 3hah n GLN 192 Cb 0.48 -0.88 0.23 0.00 0.00 0.00 0.00 30.24 30.07 3hah n GLN 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3hah n ASP 193 N -1.23 0.55 0.08 1.08 8.00 -1.26 -3.42 116.55 120.35 3hah n ASP 193 Ca 0.00 -0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.32 3hah n ASP 193 Cb 0.00 0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 3hah n ASP 193 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hah h LYS 194 N 0.00 0.21 -0.21 -1.24 1.57 -1.99 -3.01 116.57 111.90 3hah h LYS 194 Ca 0.00 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 3hah h LYS 194 Cb 0.59 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3hah h LYS 194 CO 0.00 0.97 -0.41 0.28 -0.57 0.00 0.00 179.45 179.71 3hah h VAL 195 N 0.12 1.30 0.00 0.50 2.07 -1.90 -2.27 116.25 116.07 3hah h VAL 195 Ca -0.05 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 3hah h VAL 195 Cb 1.51 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3hah h VAL 195 CO 0.14 0.49 -0.17 0.44 0.02 0.00 0.00 177.57 178.49 3hah h ASP 196 N 0.41 0.00 0.80 0.57 3.32 -1.57 -1.16 116.42 118.78 3hah h ASP 196 Ca 0.03 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 3hah h ASP 196 Cb 0.90 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3hah h ASP 196 CO 0.08 0.17 -1.31 0.11 -1.72 0.00 0.00 179.24 176.57 3hah h LYS 197 N 0.00 0.00 0.05 3.56 1.57 -1.50 -3.29 116.57 116.95 3hah h LYS 197 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3hah h LYS 197 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3hah h LYS 197 CO 0.02 0.59 -1.29 0.00 -0.57 0.00 0.00 179.45 178.20 3hah h LYS 199 N 0.03 1.15 0.00 0.00 1.79 -1.38 -2.80 116.57 115.36 3hah h LYS 199 Ca -0.13 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 3hah h LYS 199 Cb 1.90 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 32.37 3hah h LYS 199 CO 0.14 0.95 -0.13 0.37 -1.08 0.00 0.00 179.45 179.71 3hah h GLN 200 N 1.11 0.00 0.00 3.15 4.15 -1.60 -1.23 115.11 120.69 3hah h GLN 200 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3hah h GLN 200 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3hah h GLN 200 CO -0.01 0.13 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.54 3hah h ASP 201 N 0.00 0.00 -0.87 -0.69 3.32 -1.44 -2.03 116.42 114.71 3hah h ASP 201 Ca -0.00 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.23 3hah h ASP 201 Cb 0.53 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.92 3hah h ASP 201 CO 0.02 0.47 -0.18 0.52 -1.72 0.00 0.00 179.24 178.35 3hah n VAL 202 N -4.52 -0.37 0.02 -1.35 0.31 -1.06 0.56 118.33 111.93 3hah n VAL 202 Ca -0.00 1.99 -0.13 0.00 -0.01 0.00 0.00 64.34 66.19 3hah n VAL 202 Cb 0.02 -2.77 -0.08 0.00 -0.91 0.00 0.00 33.84 30.09 3hah n VAL 202 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3hah h GLN 203 N 0.00 -0.02 0.00 5.55 4.20 -1.32 0.16 115.11 123.67 3hah h GLN 203 Ca 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 3hah h GLN 203 Cb 0.71 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3hah h GLN 203 CO -0.89 0.20 -0.15 -0.22 -0.67 0.00 0.00 178.83 177.11 3hah h LYS 204 N -0.24 0.00 0.00 1.46 1.63 0.19 -2.55 116.57 117.05 3hah h LYS 204 Ca -0.00 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.49 3hah h LYS 204 Cb 0.23 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 3hah h LYS 204 CO 0.00 0.15 -1.70 -2.37 -3.45 0.00 0.00 179.45 172.09 3hah n THR 205 N -3.88 1.53 -0.13 1.00 5.66 0.19 -3.74 114.28 114.91 3hah n THR 205 Ca -0.02 -0.15 0.27 0.00 -3.05 0.00 0.00 64.05 61.11 3hah n THR 205 Cb 0.24 -2.00 0.62 0.00 -1.55 0.00 0.00 70.33 67.65 3hah n THR 205 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 3hah h GLN 206 N -1.00 0.00 -0.15 1.09 4.15 -0.69 0.47 115.11 118.97 3hah h GLN 206 Ca -0.46 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 3hah h GLN 206 Cb 1.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 3hah h GLN 206 CO -0.28 0.00 -0.13 1.49 -1.93 0.00 0.00 178.83 177.98 3hah h GLU 207 N 0.00 0.36 -0.07 1.69 4.81 -1.55 -2.13 114.58 117.68 3hah h GLU 207 Ca 0.40 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hah h GLU 207 Cb 2.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.52 3hah h GLU 207 CO -0.00 0.73 -0.02 0.87 -0.73 0.00 0.00 179.01 179.85 3hah h LYS 208 N -0.01 0.14 -0.58 1.92 1.79 -0.19 -0.10 116.57 119.55 3hah h LYS 208 Ca 0.03 -0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.56 3hah h LYS 208 Cb 0.65 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.19 3hah h LYS 208 CO 0.03 0.47 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.88 3hah h TYR 209 N -0.20 -0.19 -0.66 -1.35 -0.00 -1.44 -1.87 116.97 111.26 3hah h TYR 209 Ca 0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 58.73 58.74 3hah h TYR 209 Cb 0.42 0.17 -0.03 0.00 -0.00 0.00 0.00 36.73 37.30 3hah h TYR 209 CO 0.05 -0.21 0.18 0.93 -0.00 0.00 0.00 178.16 179.12 3hah h GLU 210 N 0.05 1.03 0.00 1.82 5.08 -1.16 -2.50 114.58 118.89 3hah h GLU 210 Ca 0.29 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hah h GLU 210 Cb 0.46 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hah h GLU 210 CO -0.55 0.90 -0.11 0.87 -1.00 0.00 0.00 179.01 179.12 3hah h LYS 211 N 0.99 0.00 0.00 2.33 1.57 -0.24 -2.97 116.57 118.24 3hah h LYS 211 Ca 0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3hah h LYS 211 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hah h LYS 211 CO -0.00 0.11 -0.14 0.28 -0.57 0.00 0.00 179.45 179.13 3hah h VAL 212 N 0.00 0.02 -0.70 0.50 2.07 -0.97 -3.22 116.25 113.95 3hah h VAL 212 Ca -0.00 -1.02 0.28 0.00 0.82 0.00 0.00 66.70 66.78 3hah h VAL 212 Cb 0.56 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.24 3hah h VAL 212 CO 0.01 0.01 0.34 0.18 0.02 0.00 0.00 177.57 178.13 3hah n LEU 213 N -4.73 0.21 -0.21 2.57 4.32 -1.00 0.21 117.00 118.37 3hah n LEU 213 Ca -0.02 1.17 -0.08 0.00 -0.02 0.00 0.00 56.01 57.06 3hah n LEU 213 Cb 0.08 -0.55 0.02 0.00 -1.62 0.00 0.00 43.42 41.35 3hah n LEU 213 CO 0.03 -1.30 0.89 -0.08 -1.22 0.00 0.00 177.39 175.71 3hah h GLU 214 N 0.00 0.96 0.45 3.23 4.81 -1.61 0.18 114.58 122.60 3hah h GLU 214 Ca 0.58 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3hah h GLU 214 Cb 1.50 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.77 3hah h GLU 214 CO -0.56 0.91 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.97 3hah h ASP 215 N 0.87 -0.51 -0.59 1.04 3.32 0.25 -1.55 116.42 119.24 3hah h ASP 215 Ca 0.18 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hah h ASP 215 Cb 0.40 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.01 3hah h ASP 215 CO 0.01 -0.14 -0.35 0.52 -1.72 0.00 0.00 179.24 177.56 3hah n VAL 216 N -5.22 -0.40 -0.28 -1.35 0.31 -0.40 -0.06 118.33 110.93 3hah n VAL 216 Ca -0.10 1.82 0.09 0.00 -0.01 0.00 0.00 64.34 66.14 3hah n VAL 216 Cb 0.30 -2.29 0.23 0.00 -0.91 0.00 0.00 33.84 31.17 3hah n VAL 216 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hah h GLY 217 N 0.00 1.22 2.00 2.92 0.00 -0.92 0.28 103.07 108.58 3hah h GLY 217 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3hah h GLY 217 CO -0.56 -0.25 -0.30 0.50 0.00 0.00 0.00 176.54 175.94 3hah h LYS 218 N 0.30 0.00 -0.01 4.80 1.57 0.09 -3.18 116.57 120.13 3hah h LYS 218 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3hah h LYS 218 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3hah h LYS 218 CO -0.54 0.30 -0.51 0.25 -0.57 0.00 0.00 179.45 178.37 3hah n THR 219 N -3.18 0.00 0.11 -0.16 -2.24 0.92 -4.41 114.28 105.32 3hah n THR 219 Ca 0.03 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 3hah n THR 219 Cb 0.65 1.23 -0.07 0.00 -2.10 0.00 0.00 70.33 70.04 3hah n THR 219 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hah h THR 220 N 2.17 0.16 -1.05 4.28 1.35 -0.49 -2.35 112.91 116.97 3hah h THR 220 Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.14 3hah h THR 220 Cb 0.72 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.20 3hah h THR 220 CO 0.00 0.00 0.68 -0.65 -0.25 0.00 0.00 175.52 175.30 3hah h PRO 221 N -0.65 0.37 -0.29 4.72 0.11 -1.77 0.41 132.00 134.91 3hah h PRO 221 Ca 0.02 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 3hah h PRO 221 Cb 0.68 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3hah h PRO 221 CO -0.24 0.24 -0.53 1.96 -0.21 0.00 0.00 178.00 179.22 3hah h GLN 222 N 0.38 0.84 0.31 1.05 1.08 -1.79 -0.64 115.11 116.35 3hah h GLN 222 Ca 0.61 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hah h GLN 222 Cb 1.56 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 29.02 3hah h GLN 222 CO -0.31 1.15 -0.36 -0.92 -0.95 0.00 0.00 178.83 177.44 3hah h TYR 223 N 0.65 -0.98 -0.07 2.96 3.20 0.29 -0.56 116.97 122.44 3hah h TYR 223 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3hah h TYR 223 Cb 1.13 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 3hah h TYR 223 CO 0.07 -0.50 -0.32 0.52 -1.64 0.00 0.00 178.16 176.28 3hah h MET 224 N -0.72 -0.34 -0.98 1.82 2.86 -1.13 -1.14 114.93 115.30 3hah h MET 224 Ca -0.01 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 3hah h MET 224 Cb 0.66 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 32.22 3hah h MET 224 CO -0.09 -0.23 0.07 0.93 1.06 0.00 0.00 176.91 178.65 3hah h GLU 225 N -0.35 0.02 0.07 1.72 4.39 -0.82 0.16 114.58 119.76 3hah h GLU 225 Ca 0.02 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3hah h GLU 225 Cb 0.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3hah h GLU 225 CO -0.26 0.01 -0.03 -0.91 -1.16 0.00 0.00 179.01 176.66 3hah h ASN 226 N 0.02 -0.08 -0.64 1.42 -0.26 -0.40 -1.41 115.58 114.24 3hah h ASN 226 Ca 0.61 -0.54 0.12 0.00 -0.56 0.00 0.00 56.30 55.92 3hah h ASN 226 Cb 1.28 0.02 -0.12 0.00 -1.06 0.00 0.00 38.32 38.44 3hah h ASN 226 CO -0.89 0.59 -0.31 0.24 -1.06 0.00 0.00 177.43 176.00 3hah h MET 227 N -0.85 -0.12 -0.63 0.81 2.86 -0.96 -2.46 114.93 113.58 3hah h MET 227 Ca -0.01 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3hah h MET 227 Cb 0.61 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 3hah h MET 227 CO 0.02 -0.08 0.09 1.49 1.06 0.00 0.00 176.91 179.49 3hah h GLU 228 N -0.12 0.20 -0.45 1.72 4.57 -0.61 -1.28 114.58 118.62 3hah h GLU 228 Ca 0.26 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 3hah h GLU 228 Cb 0.55 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3hah h GLU 228 CO -0.71 0.13 0.15 1.96 -1.18 0.00 0.00 179.01 179.37 3hah h GLN 229 N 0.21 0.68 -0.41 1.92 1.08 -0.81 -2.00 115.11 115.78 3hah h GLN 229 Ca 0.33 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 3hah h GLN 229 Cb 0.53 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3hah h GLN 229 CO -0.46 0.65 0.19 0.28 -0.95 0.00 0.00 178.83 178.54 3hah h VAL 230 N 0.58 1.18 -0.51 -0.54 2.07 -1.05 -2.29 116.25 115.70 3hah h VAL 230 Ca 0.15 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3hah h VAL 230 Cb 0.24 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3hah h VAL 230 CO -0.01 0.19 0.34 0.15 0.02 0.00 0.00 177.57 178.27 3hah h PHE 231 N 0.52 0.53 0.00 1.57 3.04 -1.10 -1.92 116.94 119.58 3hah h PHE 231 Ca 0.14 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 3hah h PHE 231 Cb 0.13 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 3hah h PHE 231 CO -0.01 0.31 -0.21 1.49 -2.02 0.00 0.00 178.31 177.87 3hah h GLU 232 N 0.55 0.00 0.03 1.11 4.57 -0.78 0.92 114.58 120.99 3hah h GLU 232 Ca 0.21 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.13 3hah h GLU 232 Cb 0.14 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3hah h GLU 232 CO -0.05 0.21 -1.07 0.37 -1.18 0.00 0.00 179.01 177.29 3hah h GLN 233 N 0.00 0.56 -0.70 1.92 4.15 -1.18 -2.32 115.11 117.54 3hah h GLN 233 Ca -0.00 -0.65 -0.04 0.00 0.77 0.00 0.00 58.65 58.72 3hah h GLN 233 Cb 0.64 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 3hah h GLN 233 CO 0.03 1.26 0.26 0.00 -1.93 0.00 0.00 178.83 178.45 3hah h GLN 235 N 1.01 -0.09 -0.85 0.00 1.08 -0.79 -2.17 115.11 113.31 3hah h GLN 235 Ca 0.23 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.55 3hah h GLN 235 Cb 0.24 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.60 3hah h GLN 235 CO -0.02 -0.06 0.47 1.96 -0.95 0.00 0.00 178.83 180.24 3hah h GLN 236 N -0.09 0.73 -0.12 1.46 4.20 -1.29 0.19 115.11 120.18 3hah h GLN 236 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3hah h GLN 236 Cb 0.09 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3hah h GLN 236 CO -0.02 0.48 0.03 0.35 -0.67 0.00 0.00 178.83 179.01 3hah h PHE 237 N 0.75 0.20 0.00 2.96 3.04 -1.36 -2.11 116.94 120.42 3hah h PHE 237 Ca 0.43 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.29 3hah h PHE 237 Cb 0.48 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 3hah h PHE 237 CO -0.07 0.35 -0.33 1.49 -2.02 0.00 0.00 178.31 177.73 3hah h GLU 238 N -0.01 0.00 -0.56 1.11 4.57 -0.83 -2.30 114.58 116.56 3hah h GLU 238 Ca 0.04 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3hah h GLU 238 Cb 0.25 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3hah h GLU 238 CO 0.00 0.33 -0.04 1.49 -1.18 0.00 0.00 179.01 179.61 3hah h GLU 239 N 0.00 0.99 -0.06 1.92 4.81 -0.40 0.23 114.58 122.07 3hah h GLU 239 Ca -0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3hah h GLU 239 Cb 0.61 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3hah h GLU 239 CO 0.04 1.00 -0.26 0.87 -0.73 0.00 0.00 179.01 179.93 3hah h LYS 240 N 0.90 0.10 0.24 1.92 1.57 -0.84 -0.07 116.57 120.40 3hah h LYS 240 Ca 0.16 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hah h LYS 240 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hah h LYS 240 CO 0.03 0.36 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.07 3hah h ARG 241 N 0.09 -0.32 -0.80 3.15 2.43 -1.07 -2.56 114.38 115.31 3hah h ARG 241 Ca 0.01 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 3hah h ARG 241 Cb 0.52 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.99 3hah h ARG 241 CO 0.04 -0.21 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.13 3hah h LEU 242 N -0.87 -0.55 -0.39 3.80 3.38 -0.98 0.28 115.31 119.98 3hah h LEU 242 Ca -0.03 0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3hah h LEU 242 Cb 0.25 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3hah h LEU 242 CO 0.05 -0.24 0.12 0.58 0.09 0.00 0.00 178.44 179.04 3hah h VAL 243 N 0.04 0.86 -0.31 1.22 2.07 -1.07 -0.30 116.25 118.77 3hah h VAL 243 Ca 0.42 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 3hah h VAL 243 Cb 0.71 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hah h VAL 243 CO -0.77 0.05 0.11 0.15 0.02 0.00 0.00 177.57 177.13 3hah h PHE 244 N 0.26 0.48 -0.77 1.57 3.04 -0.87 -2.57 116.94 118.09 3hah h PHE 244 Ca 0.18 -0.04 0.14 0.00 3.98 0.00 0.00 57.97 62.23 3hah h PHE 244 Cb 0.18 -0.14 -0.10 0.00 2.56 0.00 0.00 35.95 38.45 3hah h PHE 244 CO -0.16 0.48 0.32 1.25 -2.02 0.00 0.00 178.31 178.18 3hah h LEU 245 N 0.35 0.32 -0.65 0.59 5.85 0.12 0.13 115.31 122.02 3hah h LEU 245 Ca 0.10 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hah h LEU 245 Cb 0.21 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3hah h LEU 245 CO -0.01 0.12 0.16 0.50 -0.34 0.00 0.00 178.44 178.87 3hah h LYS 246 N 0.47 1.04 -0.47 1.25 3.64 -0.83 -0.83 116.57 120.84 3hah h LYS 246 Ca 0.43 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3hah h LYS 246 Cb 0.64 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3hah h LYS 246 CO -0.40 0.93 0.05 1.49 -2.27 0.00 0.00 179.45 179.26 3hah h GLU 247 N 0.96 0.79 -0.23 1.90 4.81 -0.83 -2.34 114.58 119.64 3hah h GLU 247 Ca 0.20 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3hah h GLU 247 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3hah h GLU 247 CO 0.00 0.82 -0.12 0.28 -0.73 0.00 0.00 179.01 179.26 3hah h VAL 248 N 0.65 1.21 -0.11 0.32 2.07 -0.48 -1.81 116.25 118.09 3hah h VAL 248 Ca 0.14 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 3hah h VAL 248 Cb 0.43 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3hah h VAL 248 CO 0.01 0.29 -0.46 -0.07 0.02 0.00 0.00 177.57 177.37 3hah h LEU 249 N 0.35 0.29 0.63 2.57 3.38 -0.92 -1.13 115.31 120.49 3hah h LEU 249 Ca 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hah h LEU 249 Cb 0.43 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hah h LEU 249 CO 0.02 0.71 -0.30 -0.07 0.09 0.00 0.00 178.44 178.89 3hah h LEU 250 N 0.22 -0.72 -0.94 1.67 -0.00 -1.11 -1.84 115.31 112.60 3hah h LEU 250 Ca 0.01 -0.02 0.27 0.00 -0.00 0.00 0.00 57.88 58.15 3hah h LEU 250 Cb 0.90 0.19 -0.17 0.00 -0.00 0.00 0.00 40.66 41.58 3hah h LEU 250 CO 0.07 -0.42 0.14 0.44 -0.00 0.00 0.00 178.44 178.68 3hah h ASP 251 N -0.99 -0.24 -0.28 -0.43 3.32 -1.12 0.23 116.42 116.91 3hah h ASP 251 Ca -0.09 0.25 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3hah h ASP 251 Cb 0.69 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3hah h ASP 251 CO 0.14 -0.29 -0.36 0.40 -1.72 0.00 0.00 179.24 177.41 3hah h ILE 252 N 0.07 1.28 -0.69 0.35 2.04 -1.12 -2.38 117.51 117.07 3hah h ILE 252 Ca 0.60 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3hah h ILE 252 Cb 1.26 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3hah h ILE 252 CO -0.81 0.50 0.37 0.50 0.00 0.00 0.00 178.15 178.72 3hah h LYS 253 N 0.67 0.96 -0.47 2.37 3.11 0.27 -1.59 116.57 121.89 3hah h LYS 253 Ca 0.06 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 3hah h LYS 253 Cb 0.92 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 3hah h LYS 253 CO 0.08 0.72 -0.10 0.00 -2.81 0.00 0.00 179.45 177.34 3hah h ARG 254 N 0.94 0.87 -0.39 1.90 3.08 -1.08 -2.61 114.38 117.08 3hah h ARG 254 Ca 0.24 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3hah h ARG 254 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hah h ARG 254 CO -0.04 0.93 -0.25 0.45 -1.07 0.00 0.00 179.97 179.99 3hah h HIS 255 N 0.78 0.92 0.00 3.04 3.86 -1.15 -3.14 115.15 119.46 3hah h HIS 255 Ca 0.13 -0.22 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 3hah h HIS 255 Cb 0.61 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3hah h HIS 255 CO 0.04 0.97 -0.54 -0.07 0.86 0.00 0.00 177.93 179.18 3hah h LEU 256 N 0.69 0.00 -8.49 2.43 3.38 -1.15 -3.43 115.31 108.75 3hah h LEU 256 Ca 0.09 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.52 3hah h LEU 256 Cb 0.78 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3hah h LEU 256 CO 0.06 0.54 1.09 0.21 0.09 0.00 0.00 178.44 180.43 3hah s ASN 257 N -6.82 6.11 0.57 -0.43 3.04 -1.00 -4.84 114.94 111.57 3hah s ASN 257 Ca -0.01 -0.03 0.35 0.00 0.04 0.00 0.00 52.86 53.20 3hah s ASN 257 Cb 0.13 -2.55 1.52 0.00 -1.54 0.00 0.00 41.25 38.81 3hah s ASN 257 CO 0.75 -1.79 2.04 -0.07 -3.04 0.00 0.00 177.10 174.99 3hah h LEU 258 N 13.22 0.00 -0.48 3.21 3.38 -1.86 -1.98 115.31 130.79 3hah h LEU 258 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hah h LEU 258 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hah h LEU 258 CO 1.22 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.77 3hah n ALA 259 N -2.10 2.52 0.14 1.53 0.00 -1.26 -3.18 120.51 118.15 3hah n ALA 259 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.19 3hah n ALA 259 Cb 0.27 -1.08 0.11 0.00 0.00 0.00 0.00 19.45 18.75 3hah n ALA 259 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hah h GLU 260 N 0.84 0.00 -6.33 0.00 4.39 -1.67 -3.45 114.58 108.37 3hah h GLU 260 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 3hah h GLU 260 Cb 0.19 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.65 3hah h GLU 260 CO 0.00 0.59 -0.73 -0.80 -1.16 0.00 0.00 179.01 176.91 3hah s ASN 261 N -6.56 4.36 0.22 1.42 -0.87 -1.19 -5.00 114.94 107.33 3hah s ASN 261 Ca 0.01 -0.19 0.20 0.00 -1.57 0.00 0.00 52.86 51.32 3hah s ASN 261 Cb 0.10 -0.96 0.92 0.00 -0.02 0.00 0.00 41.25 41.29 3hah s ASN 261 CO 0.75 0.30 1.62 -1.54 -2.57 0.00 0.00 177.10 175.65 3hah n SER 262 N 1.78 0.51 -0.03 -1.22 3.41 -1.26 -2.75 113.62 114.06 3hah n SER 262 Ca -0.16 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3hah n SER 262 Cb 0.52 -0.76 0.55 0.00 -0.26 0.00 0.00 64.21 64.27 3hah n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hah h SER 263 N 0.00 0.26 0.94 4.04 0.02 -1.94 -0.58 113.55 116.29 3hah h SER 263 Ca 0.00 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.77 3hah h SER 263 Cb 0.23 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3hah h SER 263 CO 0.00 0.16 -0.90 0.22 -1.14 0.00 0.00 176.83 175.17 3hah h TYR 264 N 0.29 0.00 -0.05 3.45 5.03 -1.71 -3.08 116.97 120.89 3hah h TYR 264 Ca 0.24 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 3hah h TYR 264 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 3hah h TYR 264 CO -0.00 0.90 -0.21 0.82 -1.32 0.00 0.00 178.16 178.34 3hah h ILE 265 N 0.00 1.45 0.00 1.81 1.08 -1.57 -3.25 117.51 117.03 3hah h ILE 265 Ca -0.01 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 3hah h ILE 265 Cb 1.61 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.72 3hah h ILE 265 CO 0.12 0.46 0.00 1.41 -0.69 0.00 0.00 178.15 179.45 3hah n HIS 266 N -4.54 0.00 -0.07 1.37 8.25 -0.29 -1.18 115.22 118.76 3hah n HIS 266 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 3hah n HIS 266 Cb 0.44 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 3hah n HIS 266 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3hah n VAL 267 N -0.84 1.52 0.77 1.59 3.14 -1.17 -3.06 118.33 120.28 3hah n VAL 267 Ca 0.09 -0.76 0.12 0.00 -2.96 0.00 0.00 64.34 60.83 3hah n VAL 267 Cb 0.04 -0.97 0.17 0.00 -1.06 0.00 0.00 33.84 32.02 3hah n VAL 267 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3hah n TYR 268 N -3.02 0.24 0.01 1.45 4.01 -0.84 -1.75 117.16 117.27 3hah n TYR 268 Ca -0.32 0.07 -0.18 0.00 -0.16 0.00 0.00 57.90 57.31 3hah n TYR 268 Cb 1.08 -0.42 -0.10 0.00 -0.31 0.00 0.00 39.34 39.59 3hah n TYR 268 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3hah h ARG 269 N 0.00 0.56 -0.28 -0.72 2.43 -1.31 -2.84 114.38 112.22 3hah h ARG 269 Ca 0.00 -0.57 -0.17 0.00 -0.81 0.00 0.00 59.98 58.43 3hah h ARG 269 Cb 0.63 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3hah h ARG 269 CO 0.00 1.20 -0.49 1.49 -1.51 0.00 0.00 179.97 180.66 3hah h GLU 270 N 0.15 0.82 0.57 0.20 4.81 -1.59 -2.51 114.58 117.03 3hah h GLU 270 Ca -0.09 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 3hah h GLU 270 Cb 1.45 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.89 3hah h GLU 270 CO 0.15 1.14 -0.28 1.25 -0.73 0.00 0.00 179.01 180.55 3hah h LEU 271 N 0.59 -0.65 -0.30 1.64 5.85 -1.44 -1.56 115.31 119.44 3hah h LEU 271 Ca 0.02 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hah h LEU 271 Cb 1.09 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 3hah h LEU 271 CO 0.11 -0.47 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.59 3hah h GLU 272 N -0.77 0.01 0.00 1.25 4.81 -1.54 -0.99 114.58 117.35 3hah h GLU 272 Ca -0.08 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hah h GLU 272 Cb 0.59 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hah h GLU 272 CO 0.13 0.00 -0.01 -0.56 -0.73 0.00 0.00 179.01 177.84 3hah h GLN 273 N 0.01 0.00 -0.04 1.92 3.07 -1.31 0.64 115.11 119.40 3hah h GLN 273 Ca 0.14 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.69 3hah h GLN 273 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.79 3hah h GLN 273 CO -0.30 0.01 -0.73 0.00 0.09 0.00 0.00 178.83 177.90 3hah h ALA 274 N 1.99 0.14 -0.28 0.06 0.00 -0.15 -2.52 119.26 118.49 3hah h ALA 274 Ca -0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3hah h ALA 274 Cb 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hah h ALA 274 CO 0.00 0.49 -0.33 0.82 0.00 0.00 0.00 179.25 180.23 3hah h ILE 275 N 0.16 1.30 0.00 0.00 2.04 -0.70 -2.56 117.51 117.75 3hah h ILE 275 Ca -0.08 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3hah h ILE 275 Cb 1.41 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3hah h ILE 275 CO 0.15 0.48 0.00 0.03 0.00 0.00 0.00 178.15 178.81 3hah h ARG 276 N 0.46 0.00 0.00 2.37 3.08 -0.99 0.48 114.38 119.78 3hah h ARG 276 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hah h ARG 276 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3hah h ARG 276 CO 0.08 0.00 -0.22 0.78 -1.07 0.00 0.00 179.97 179.54 3hah h GLY 277 N 0.83 0.00 -4.49 0.04 0.00 -1.01 -3.45 103.07 94.99 3hah h GLY 277 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3hah h GLY 277 CO 0.00 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.80 3hah n ALA 278 N -2.30 0.14 -3.70 3.60 0.00 0.16 -4.99 120.51 113.42 3hah n ALA 278 Ca -0.01 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.54 3hah n ALA 278 Cb 0.35 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 3hah n ALA 278 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hah s ASP 279 N -0.37 3.16 0.07 0.00 -1.08 -1.26 -5.04 116.67 112.15 3hah s ASP 279 Ca 0.60 -1.02 -0.32 0.00 -0.52 0.00 0.00 52.55 51.29 3hah s ASP 279 Cb -0.69 -0.58 -0.19 0.00 -1.46 0.00 0.00 42.92 40.01 3hah s ASP 279 CO 0.59 -0.35 1.63 0.00 0.52 0.00 0.00 175.17 177.56 3hah h ALA 280 N 8.25 -0.87 -0.16 3.66 0.00 -2.00 -2.62 119.26 125.53 3hah h ALA 280 Ca -0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3hah h ALA 280 Cb 1.09 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hah h ALA 280 CO 0.37 -0.99 -0.07 -0.56 0.00 0.00 0.00 179.25 178.01 3hah h GLN 281 N -0.86 0.24 -0.25 0.00 -0.00 -1.99 -1.44 115.11 110.80 3hah h GLN 281 Ca -0.09 -0.04 -0.13 0.00 -0.00 0.00 0.00 58.65 58.40 3hah h GLN 281 Cb 0.67 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 28.10 3hah h GLN 281 CO 0.14 0.32 -0.36 1.49 -0.00 0.00 0.00 178.83 180.42 3hah h GLU 282 N 0.23 0.57 -0.56 0.06 4.22 -1.98 -0.23 114.58 116.90 3hah h GLU 282 Ca 0.05 -0.27 -0.11 0.00 0.08 0.00 0.00 59.36 59.12 3hah h GLU 282 Cb 0.28 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3hah h GLU 282 CO 0.01 0.85 -0.07 -0.44 -2.18 0.00 0.00 179.01 177.19 3hah h ASP 283 N 0.48 1.02 0.59 1.04 5.19 -0.90 0.68 116.42 124.51 3hah h ASP 283 Ca 0.05 -0.33 -0.03 0.00 -0.62 0.00 0.00 57.03 56.10 3hah h ASP 283 Cb 0.85 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.09 3hah h ASP 283 CO 0.07 1.11 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.95 3hah h LEU 284 N 0.91 -0.67 -0.83 1.55 3.38 -1.15 -1.05 115.31 117.44 3hah h LEU 284 Ca 0.15 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.30 3hah h LEU 284 Cb 0.63 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3hah h LEU 284 CO 0.04 -0.46 0.38 -0.09 0.09 0.00 0.00 178.44 178.40 3hah h ARG 285 N -0.81 0.49 -0.78 1.13 2.43 -0.90 0.74 114.38 116.67 3hah h ARG 285 Ca -0.08 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3hah h ARG 285 Cb 0.62 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 3hah h ARG 285 CO 0.13 0.32 0.52 2.35 -1.51 0.00 0.00 179.97 181.78 3hah h TRP 286 N 0.50 0.93 0.02 2.20 7.01 -0.41 -2.67 115.95 123.54 3hah h TRP 286 Ca 0.47 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 61.27 3hah h TRP 286 Cb 0.76 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 3hah h TRP 286 CO -0.13 0.55 -0.96 0.35 -2.79 0.00 0.00 178.44 175.46 3hah h PHE 287 N 0.97 0.50 -0.47 2.65 3.57 0.31 -2.45 116.94 122.03 3hah h PHE 287 Ca 0.31 -0.29 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3hah h PHE 287 Cb 0.03 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 3hah h PHE 287 CO -0.00 1.12 0.12 -0.09 -2.23 0.00 0.00 178.31 177.23 3hah h ARG 288 N 0.17 0.26 -0.00 1.11 2.43 -0.60 0.39 114.38 118.13 3hah h ARG 288 Ca -0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3hah h ARG 288 Cb 1.61 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 3hah h ARG 288 CO 0.16 0.17 -0.42 -1.13 -1.51 0.00 0.00 179.97 177.24 3hah n SER 289 N -5.07 0.68 -0.08 -3.80 3.41 -1.13 -0.88 113.62 106.76 3hah n SER 289 Ca 0.05 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 3hah n SER 289 Cb 0.21 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 3hah n SER 289 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3hah n THR 290 N -1.21 1.00 0.00 6.66 5.66 -0.92 -3.72 114.28 121.74 3hah n THR 290 Ca 0.08 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 3hah n THR 290 Cb 0.34 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 3hah n THR 290 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3hah n SER 291 N -2.70 0.01 0.00 1.09 7.64 0.13 -4.92 113.62 114.87 3hah n SER 291 Ca -0.26 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.43 3hah n SER 291 Cb 0.92 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 3hah n SER 291 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hah n GLY 292 N 0.38 3.96 0.00 0.23 0.00 -0.05 -4.95 105.19 104.76 3hah n GLY 292 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3hah n GLY 292 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hah n PRO 293 N 0.00 0.03 0.10 1.61 -0.02 -1.14 -1.98 135.00 133.60 3hah n PRO 293 Ca 0.00 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 3hah n PRO 293 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3hah n PRO 293 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3hah h GLY 294 N 1.11 0.00 -4.53 -1.23 0.00 -1.56 -3.47 103.07 93.39 3hah h GLY 294 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3hah h GLY 294 CO 0.00 0.00 0.66 1.03 0.00 0.00 0.00 176.54 178.23 3hah n MET 295 N -2.80 2.18 -0.68 4.80 2.81 -0.84 -4.81 117.12 117.78 3hah n MET 295 Ca -0.02 0.77 -0.30 0.00 -1.81 0.00 0.00 57.70 56.35 3hah n MET 295 Cb 0.62 -2.45 0.19 0.00 -0.71 0.00 0.00 33.22 30.88 3hah n MET 295 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3hah s PRO 296 N -0.58 0.34 -0.23 0.03 0.02 -1.26 -5.03 135.00 128.29 3hah s PRO 296 Ca 0.66 1.25 -0.15 0.00 0.02 0.00 0.00 61.00 62.77 3hah s PRO 296 Cb -0.61 -1.67 0.07 0.00 0.02 0.00 0.00 34.50 32.31 3hah s PRO 296 CO 0.51 -3.00 0.57 1.41 -0.33 0.00 0.00 177.00 176.16 3hah s MET 297 N -4.60 0.60 -0.81 5.54 1.75 -1.26 -5.10 119.30 115.42 3hah s MET 297 Ca 0.67 0.96 -0.20 0.00 -1.25 0.00 0.00 55.69 55.86 3hah s MET 297 Cb -0.23 0.15 0.10 0.00 2.84 0.00 0.00 34.83 37.69 3hah s MET 297 CO 0.60 -0.13 1.05 -0.80 -0.65 0.00 0.00 175.02 175.10 3hah s ASN 298 N 1.14 6.43 0.77 1.11 0.01 -1.26 -5.04 114.94 118.10 3hah s ASN 298 Ca -0.07 -1.60 -0.12 0.00 -0.71 0.00 0.00 52.86 50.35 3hah s ASN 298 Cb -0.06 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.26 3hah s ASN 298 CO -0.11 -1.22 1.14 0.26 -1.51 0.00 0.00 177.10 175.65 3hah s TRP 299 N 3.26 2.24 0.60 2.20 0.52 -1.26 -4.95 118.94 121.55 3hah s TRP 299 Ca 0.28 1.62 -0.19 0.00 0.02 0.00 0.00 56.10 57.83 3hah s TRP 299 Cb -0.10 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.93 3hah s TRP 299 CO -0.01 -2.20 1.04 -2.30 0.02 0.00 0.00 176.95 173.50 3hah n PRO 300 N -3.26 1.00 -3.78 4.98 -0.02 -1.26 -5.03 135.00 127.63 3hah n PRO 300 Ca 0.11 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 3hah n PRO 300 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3hah n PRO 300 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hah s GLN 301 N -2.83 1.35 -0.02 -0.52 0.74 -1.26 -5.13 119.66 111.99 3hah s GLN 301 Ca 0.76 -0.92 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 3hah s GLN 301 Cb -0.42 0.50 -0.05 0.00 1.10 0.00 0.00 33.01 34.14 3hah s GLN 301 CO 0.46 -0.56 1.39 0.12 -0.55 0.00 0.00 175.29 176.16 3hah s PHE 302 N -3.89 2.83 -0.06 1.67 5.36 -1.26 -5.02 117.98 117.60 3hah s PHE 302 Ca 0.11 0.82 0.04 0.00 -0.96 0.00 0.00 56.93 56.94 3hah s PHE 302 Cb -0.00 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 3hah s PHE 302 CO -0.02 -2.40 -0.18 -1.83 -1.46 0.00 0.00 175.22 169.32 3hah s GLU 303 N 2.53 2.11 0.00 10.12 4.04 -1.26 -5.31 118.70 130.93 3hah s GLU 303 Ca 0.63 -0.64 0.00 0.00 0.04 0.00 0.00 54.97 55.00 3hah s GLU 303 Cb -0.30 -1.73 0.00 0.00 0.02 0.00 0.00 34.13 32.11 3hah s GLU 303 CO 0.26 0.18 0.50 0.39 -1.84 0.00 0.00 175.26 174.75