#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n LYS 8 N 0.00 0.00 -0.86 7.34 -0.00 -1.26 -5.13 118.16 118.25 1ibm n LYS 8 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 1ibm n LYS 8 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 1ibm n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ibm n GLU 9 N -0.39 -2.07 0.00 -1.58 2.13 -1.26 -5.00 120.64 112.46 1ibm n GLU 9 Ca 0.00 1.67 0.00 0.00 0.66 0.00 0.00 57.16 59.49 1ibm n GLU 9 Cb 0.00 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1ibm n GLU 9 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ibm n LEU 10 N -3.03 0.33 -3.19 4.31 0.00 -1.26 -4.82 117.00 109.35 1ibm n LEU 10 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.70 1ibm n LEU 10 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.76 1ibm n LEU 10 CO 0.02 0.06 2.65 0.18 0.00 0.00 0.00 177.39 180.29 1ibm n LEU 11 N -1.49 6.05 -1.92 -1.96 4.77 -1.26 -4.60 117.00 116.60 1ibm n LEU 11 Ca 0.00 -3.32 -0.15 0.00 -0.03 0.00 0.00 56.01 52.51 1ibm n LEU 11 Cb 0.07 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1ibm n LEU 11 CO 0.00 1.07 1.26 1.21 -1.33 0.00 0.00 177.39 179.59 1ibm n GLU 12 N 3.98 1.76 -0.03 3.23 4.07 -1.26 -3.98 120.64 128.40 1ibm n GLU 12 Ca 0.54 -1.35 0.09 0.00 -0.06 0.00 0.00 57.16 56.38 1ibm n GLU 12 Cb 0.17 -1.60 0.44 0.00 -0.06 0.00 0.00 31.44 30.39 1ibm n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibm n ALA 13 N 0.78 2.57 -0.33 4.31 0.00 -1.26 -3.62 120.51 122.96 1ibm n ALA 13 Ca 0.28 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ibm n ALA 13 Cb 0.58 -1.20 0.25 0.00 0.00 0.00 0.00 19.45 19.08 1ibm n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ibm h GLY 14 N 5.29 1.44 0.00 0.00 0.00 -1.97 -3.45 103.07 104.38 1ibm h GLY 14 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1ibm h GLY 14 CO 0.00 0.24 0.00 -0.62 0.00 0.00 0.00 176.54 176.16 1ibm n VAL 15 N -4.54 0.00 0.00 4.60 0.31 -1.24 -4.97 118.33 112.49 1ibm n VAL 15 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1ibm n VAL 15 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1ibm n VAL 15 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ibm n HIS 16 N -1.89 0.00 -1.08 3.52 8.25 -1.26 -4.91 115.22 117.85 1ibm n HIS 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ibm n HIS 16 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ibm n HIS 16 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1ibm n PHE 17 N 0.00 0.00 -1.08 4.41 -0.00 -1.26 -4.61 117.46 114.92 1ibm n PHE 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1ibm n PHE 17 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 39.48 39.12 1ibm n PHE 17 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ibm n GLY 18 N 1.13 -3.91 3.80 4.97 0.00 -1.26 -4.64 105.19 105.28 1ibm n GLY 18 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1ibm n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ibm s HIS 19 N -0.14 -0.17 0.36 1.61 2.46 -0.97 -4.67 115.29 113.76 1ibm s HIS 19 Ca 0.00 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.33 1ibm s HIS 19 Cb 0.00 0.67 0.00 0.00 -0.13 0.00 0.00 32.58 33.12 1ibm s HIS 19 CO 0.00 -1.03 0.00 0.39 -2.47 0.00 0.00 174.74 171.63 1ibm n GLU 20 N -0.46 -4.67 0.00 2.88 -0.58 -1.26 -3.95 120.64 112.60 1ibm n GLU 20 Ca -0.05 3.37 0.00 0.00 -0.42 0.00 0.00 57.16 60.06 1ibm n GLU 20 Cb 0.60 -3.79 0.00 0.00 -0.57 0.00 0.00 31.44 27.68 1ibm n GLU 20 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ibm n ARG 21 N 0.44 0.00 -2.95 3.49 1.74 -1.26 -3.55 116.66 114.56 1ibm n ARG 21 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1ibm n ARG 21 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ibm n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibm n LYS 22 N 0.00 0.75 -0.47 5.56 5.02 -1.26 -3.23 118.16 124.54 1ibm n LYS 22 Ca 0.00 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 1ibm n LYS 22 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1ibm n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ibm n ARG 23 N 1.50 0.00 0.00 1.97 -4.01 -1.26 -5.11 116.66 109.75 1ibm n ARG 23 Ca 0.15 -0.79 0.00 0.00 -1.04 0.00 0.00 57.85 56.16 1ibm n ARG 23 Cb 0.59 -0.41 0.00 0.00 -3.04 0.00 0.00 32.46 29.60 1ibm n ARG 23 CO 0.00 0.00 0.00 -2.67 -3.04 0.00 0.00 177.63 171.92 1ibm n TRP 24 N 0.00 -0.31 -3.69 2.89 4.27 -1.26 -4.88 117.44 114.46 1ibm n TRP 24 Ca 0.00 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.35 1ibm n TRP 24 Cb 0.65 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.43 1ibm n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1ibm s ASN 25 N -1.79 2.49 0.54 -0.67 3.04 -0.85 -4.89 114.94 112.81 1ibm s ASN 25 Ca 0.00 -0.64 0.38 0.00 0.04 0.00 0.00 52.86 52.64 1ibm s ASN 25 Cb 0.00 -0.42 1.56 0.00 -1.54 0.00 0.00 41.25 40.85 1ibm s ASN 25 CO 0.00 -0.31 1.76 -0.65 -3.04 0.00 0.00 177.10 174.86 1ibm h PRO 26 N 8.33 0.02 0.00 0.43 0.11 -1.91 0.16 132.00 139.14 1ibm h PRO 26 Ca -0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1ibm h PRO 26 Cb 1.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ibm h PRO 26 CO 0.30 0.01 -0.03 0.87 -0.21 0.00 0.00 178.00 178.94 1ibm h LYS 27 N 0.02 0.00 -0.01 1.05 1.57 -1.96 0.34 116.57 117.59 1ibm h LYS 27 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1ibm h LYS 27 Cb 2.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.77 1ibm h LYS 27 CO -0.03 0.03 -0.08 0.34 -0.57 0.00 0.00 179.45 179.14 1ibm n PHE 28 N -3.92 0.00 -0.38 -1.35 7.35 0.56 -4.25 117.46 115.47 1ibm n PHE 28 Ca -0.03 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.04 1ibm n PHE 28 Cb 0.12 -0.11 0.75 0.00 0.35 0.00 0.00 39.48 40.60 1ibm n PHE 28 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ibm h ALA 29 N 3.83 3.20 -0.11 3.13 0.00 -0.37 -2.11 119.26 126.84 1ibm h ALA 29 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ibm h ALA 29 Cb 0.33 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ibm h ALA 29 CO 0.00 -1.58 0.01 0.07 0.00 0.00 0.00 179.25 177.75 1ibm h ARG 30 N 0.01 0.20 0.00 0.00 0.11 -1.79 -2.99 114.38 109.92 1ibm h ARG 30 Ca 0.62 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.65 1ibm h ARG 30 Cb 2.47 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 33.53 1ibm h ARG 30 CO -0.02 0.42 0.00 0.66 0.10 0.00 0.00 179.97 181.13 1ibm n TYR 31 N -4.82 0.00 -3.84 4.08 0.53 -0.79 -4.78 117.16 107.54 1ibm n TYR 31 Ca -0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.46 1ibm n TYR 31 Cb 0.19 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.44 1ibm n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1ibm s ILE 32 N -2.00 5.48 -0.21 -0.72 1.01 -1.13 -1.94 121.20 121.70 1ibm s ILE 32 Ca 0.04 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 1ibm s ILE 32 Cb 0.02 -3.42 -0.19 0.00 0.01 0.00 0.00 42.46 38.88 1ibm s ILE 32 CO 0.03 0.58 0.21 0.22 0.00 0.00 0.00 174.94 175.98 1ibm h TYR 33 N 5.34 0.00 0.00 3.97 5.03 -1.28 -3.42 116.97 126.60 1ibm h TYR 33 Ca -0.52 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.79 1ibm h TYR 33 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1ibm h TYR 33 CO 0.72 1.44 0.00 0.00 -1.32 0.00 0.00 178.16 179.00 1ibm n ALA 34 N -3.41 0.00 -2.75 1.82 0.00 -1.23 -4.93 120.51 110.01 1ibm n ALA 34 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 1ibm n ALA 34 Cb 0.67 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 1ibm n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ibm s GLU 35 N -2.00 4.04 -0.20 0.00 2.02 -1.26 0.20 118.70 121.49 1ibm s GLU 35 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.70 1ibm s GLU 35 Cb 0.00 -3.41 0.04 0.00 0.10 0.00 0.00 34.13 30.86 1ibm s GLU 35 CO 0.00 0.15 -0.12 1.03 0.02 0.00 0.00 175.26 176.34 1ibm s ARG 36 N 0.77 2.21 -1.34 1.61 0.52 0.15 -4.76 118.95 118.11 1ibm s ARG 36 Ca 0.06 -0.88 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1ibm s ARG 36 Cb -0.13 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1ibm s ARG 36 CO 0.02 -0.40 0.45 0.09 0.02 0.00 0.00 175.30 175.48 1ibm n ASN 37 N 4.65 -1.85 0.00 0.23 3.02 -1.26 -3.91 115.26 116.14 1ibm n ASN 37 Ca -0.16 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1ibm n ASN 37 Cb 0.47 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.19 1ibm n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibm n GLY 38 N -2.10 0.85 0.57 7.41 0.00 -1.26 -5.04 105.19 105.62 1ibm n GLY 38 Ca -0.23 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1ibm n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ibm n ILE 39 N 0.00 0.20 -2.39 -0.61 5.41 -1.20 -4.61 119.36 116.17 1ibm n ILE 39 Ca 0.00 -0.09 -0.25 0.00 1.00 0.00 0.00 62.75 63.41 1ibm n ILE 39 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 38.97 1ibm n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1ibm s HIS 40 N -0.24 3.08 -0.30 1.39 3.76 -1.23 -0.67 115.29 121.07 1ibm s HIS 40 Ca 0.10 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1ibm s HIS 40 Cb -0.13 -2.89 0.09 0.00 1.11 0.00 0.00 32.58 30.77 1ibm s HIS 40 CO 0.10 -1.02 0.05 0.42 -0.85 0.00 0.00 174.74 173.45 1ibm s ILE 41 N -3.03 1.47 -0.41 0.60 1.01 0.52 -2.29 121.20 119.08 1ibm s ILE 41 Ca 0.56 -1.68 -0.39 0.00 0.00 0.00 0.00 60.65 59.14 1ibm s ILE 41 Cb -0.11 -2.03 -0.14 0.00 0.01 0.00 0.00 42.46 40.19 1ibm s ILE 41 CO 0.44 -0.54 2.16 -0.38 0.00 0.00 0.00 174.94 176.62 1ibm n ILE 42 N 4.61 0.12 -1.54 2.92 5.41 -1.26 -0.83 119.36 128.79 1ibm n ILE 42 Ca -0.02 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.18 1ibm n ILE 42 Cb 0.42 -1.18 -0.05 0.00 -0.71 0.00 0.00 39.64 38.12 1ibm n ILE 42 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ibm n ASP 43 N 8.81 2.27 -0.04 4.38 -0.08 -0.82 -4.19 116.55 126.88 1ibm n ASP 43 Ca 0.46 -0.19 -0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1ibm n ASP 43 Cb 0.12 -1.47 0.28 0.00 2.34 0.00 0.00 41.12 42.39 1ibm n ASP 43 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ibm h LEU 44 N 17.08 0.58 -0.84 -2.67 3.38 -1.88 -2.14 115.31 128.81 1ibm h LEU 44 Ca -0.26 -0.09 0.20 0.00 0.09 0.00 0.00 57.88 57.82 1ibm h LEU 44 Cb 1.27 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1ibm h LEU 44 CO 1.13 0.59 -0.00 1.56 0.09 0.00 0.00 178.44 181.81 1ibm h GLN 45 N 0.61 0.07 -0.53 1.13 7.50 -1.94 1.96 115.11 123.92 1ibm h GLN 45 Ca 0.14 -0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.21 1ibm h GLN 45 Cb 0.26 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 1ibm h GLN 45 CO 0.00 0.05 0.05 0.87 -1.50 0.00 0.00 178.83 178.29 1ibm h LYS 46 N 0.07 0.90 -0.86 1.46 1.57 -1.79 -1.49 116.57 116.43 1ibm h LYS 46 Ca 0.47 -0.26 0.17 0.00 -1.87 0.00 0.00 60.65 59.16 1ibm h LYS 46 Cb 0.87 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.99 1ibm h LYS 46 CO -0.77 0.90 0.42 1.15 -0.57 0.00 0.00 179.45 180.58 1ibm h THR 47 N 0.77 0.66 0.74 -0.16 2.02 0.29 -0.13 112.91 117.11 1ibm h THR 47 Ca 0.15 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1ibm h THR 47 Cb 0.46 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1ibm h THR 47 CO 0.02 0.10 -0.43 0.24 0.37 0.00 0.00 175.52 175.82 1ibm h MET 48 N 0.56 -1.06 -0.77 6.66 2.86 0.20 0.11 114.93 123.49 1ibm h MET 48 Ca 0.49 0.07 0.18 0.00 -2.06 0.00 0.00 59.70 58.38 1ibm h MET 48 Cb 0.77 0.24 -0.13 0.00 0.06 0.00 0.00 31.60 32.54 1ibm h MET 48 CO -0.41 -0.71 0.08 0.93 1.06 0.00 0.00 176.91 177.87 1ibm h GLU 49 N -1.10 0.15 -0.03 1.72 5.08 -0.15 0.76 114.58 121.01 1ibm h GLU 49 Ca -0.10 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.04 1ibm h GLU 49 Cb 0.88 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ibm h GLU 49 CO 0.11 0.10 -0.88 0.93 -1.00 0.00 0.00 179.01 178.27 1ibm h GLU 50 N 0.15 0.44 -0.36 2.33 4.39 -1.06 -3.13 114.58 117.35 1ibm h GLU 50 Ca 0.44 -0.44 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1ibm h GLU 50 Cb 0.79 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.48 1ibm h GLU 50 CO -0.63 1.09 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.08 1ibm h LEU 51 N 0.27 -0.55 0.00 1.33 3.38 0.14 0.52 115.31 120.40 1ibm h LEU 51 Ca -0.07 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ibm h LEU 51 Cb 1.51 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1ibm h LEU 51 CO 0.16 -0.20 0.00 1.21 0.09 0.00 0.00 178.44 179.70 1ibm n GLU 52 N -5.34 0.00 -0.37 1.13 2.13 -0.03 -0.36 120.64 117.80 1ibm n GLU 52 Ca 0.01 0.53 -0.04 0.00 0.66 0.00 0.00 57.16 58.33 1ibm n GLU 52 Cb 0.26 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1ibm n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ibm h ARG 53 N 0.00 -0.02 0.00 5.31 3.08 -1.50 0.70 114.38 121.95 1ibm h ARG 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ibm h ARG 53 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1ibm h ARG 53 CO 0.00 -0.02 0.00 2.41 -1.07 0.00 0.00 179.97 181.29 1ibm n THR 54 N -5.42 0.00 -0.31 2.04 -1.04 0.16 0.58 114.28 110.29 1ibm n THR 54 Ca 0.08 0.93 0.13 0.00 -2.04 0.00 0.00 64.05 63.15 1ibm n THR 54 Cb 0.36 -1.61 0.28 0.00 -1.82 0.00 0.00 70.33 67.55 1ibm n THR 54 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1ibm h PHE 55 N 0.00 0.15 -0.82 -1.42 -1.00 -0.46 1.85 116.94 115.23 1ibm h PHE 55 Ca 0.00 0.06 0.13 0.00 2.81 0.00 0.00 57.97 60.97 1ibm h PHE 55 Cb 0.00 0.08 -0.14 0.00 3.61 0.00 0.00 35.95 39.50 1ibm h PHE 55 CO 0.00 -0.31 -0.38 -0.09 -1.61 0.00 0.00 178.31 175.92 1ibm h ARG 56 N 0.11 -0.07 -0.82 1.51 2.43 0.11 0.91 114.38 118.55 1ibm h ARG 56 Ca 0.55 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.69 1ibm h ARG 56 Cb 1.13 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 1ibm h ARG 56 CO -0.76 -0.05 0.36 0.35 -1.51 0.00 0.00 179.97 178.36 1ibm h PHE 57 N -0.08 1.21 -0.52 2.20 3.57 0.82 -2.70 116.94 121.44 1ibm h PHE 57 Ca 0.29 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1ibm h PHE 57 Cb 0.57 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1ibm h PHE 57 CO -0.79 0.90 0.33 0.82 -2.23 0.00 0.00 178.31 177.34 1ibm h ILE 58 N 1.18 1.15 -0.05 1.41 2.04 0.37 -2.46 117.51 121.15 1ibm h ILE 58 Ca 0.28 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ibm h ILE 58 Cb 0.17 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1ibm h ILE 58 CO -0.03 0.15 -0.12 -0.33 0.00 0.00 0.00 178.15 177.82 1ibm h GLU 59 N 0.70 -0.10 -0.92 2.37 5.08 0.31 0.78 114.58 122.81 1ibm h GLU 59 Ca 0.19 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 1ibm h GLU 59 Cb -0.04 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.08 1ibm h GLU 59 CO -0.04 -0.07 -0.39 0.22 -1.00 0.00 0.00 179.01 177.73 1ibm h ASP 60 N -0.11 -1.43 -0.43 1.42 1.82 -1.41 1.65 116.42 117.93 1ibm h ASP 60 Ca 0.01 0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1ibm h ASP 60 Cb 0.14 0.74 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1ibm h ASP 60 CO -0.11 -0.29 0.28 0.25 -1.61 0.00 0.00 179.24 177.76 1ibm h LEU 61 N -0.03 0.51 0.43 2.28 7.12 -0.92 -0.27 115.31 124.42 1ibm h LEU 61 Ca 0.31 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 1ibm h LEU 61 Cb 0.58 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1ibm h LEU 61 CO -0.93 0.38 -0.20 0.00 -0.13 0.00 0.00 178.44 177.56 1ibm h ALA 62 N 1.71 -0.90 0.00 1.25 0.00 0.90 -0.08 119.26 122.15 1ibm h ALA 62 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ibm h ALA 62 Cb -0.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ibm h ALA 62 CO -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.36 1ibm n MET 63 N -3.92 0.34 0.00 0.00 0.00 0.10 0.76 117.12 114.39 1ibm n MET 63 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.75 1ibm n MET 63 Cb 0.23 -1.50 0.12 0.00 0.00 0.00 0.00 33.22 32.07 1ibm n MET 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1ibm n ARG 64 N -1.00 0.27 -1.89 3.17 0.63 -0.12 -4.95 116.66 112.76 1ibm n ARG 64 Ca 0.08 -0.19 -0.05 0.00 -0.92 0.00 0.00 57.85 56.77 1ibm n ARG 64 Cb 0.04 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.44 1ibm n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ibm n GLY 65 N 1.47 0.29 3.91 5.14 0.00 0.23 -5.04 105.19 111.20 1ibm n GLY 65 Ca 0.06 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1ibm n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ibm s GLY 66 N -2.80 1.60 -0.07 -0.02 0.00 -0.06 -5.04 107.32 100.92 1ibm s GLY 66 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 1ibm s GLY 66 CO 0.00 -0.39 0.22 -0.51 0.00 0.00 0.00 173.10 172.42 1ibm s THR 67 N -2.98 5.36 -0.44 0.90 -4.23 -1.26 -4.77 115.64 108.22 1ibm s THR 67 Ca 0.53 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1ibm s THR 67 Cb -0.11 -3.50 0.14 0.00 1.34 0.00 0.00 72.50 70.37 1ibm s THR 67 CO 0.45 0.57 0.24 -0.63 -0.54 0.00 0.00 174.62 174.72 1ibm s ILE 68 N -1.08 1.44 -0.22 2.99 1.01 -1.26 -1.82 121.20 122.26 1ibm s ILE 68 Ca 0.19 -2.58 -0.31 0.00 0.00 0.00 0.00 60.65 57.95 1ibm s ILE 68 Cb -0.13 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 1ibm s ILE 68 CO 0.08 -0.89 2.17 -0.11 0.00 0.00 0.00 174.94 176.19 1ibm n LEU 69 N 3.52 3.05 -4.76 2.97 0.00 -1.19 -4.45 117.00 116.15 1ibm n LEU 69 Ca 0.09 0.36 -0.40 0.00 0.00 0.00 0.00 56.01 56.06 1ibm n LEU 69 Cb 0.34 -1.47 -0.06 0.00 0.00 0.00 0.00 43.42 42.24 1ibm n LEU 69 CO 0.24 -0.59 0.52 -0.36 0.00 0.00 0.00 177.39 177.20 1ibm s PHE 70 N 7.47 3.87 -0.10 1.96 0.40 -1.16 -0.81 117.98 129.61 1ibm s PHE 70 Ca 1.02 1.65 -0.02 0.00 -0.60 0.00 0.00 56.93 58.98 1ibm s PHE 70 Cb -0.50 -2.83 0.04 0.00 0.51 0.00 0.00 43.02 40.23 1ibm s PHE 70 CO 0.41 0.43 0.02 0.08 0.70 0.00 0.00 175.22 176.85 1ibm s VAL 71 N -0.80 0.32 -0.22 -0.44 1.01 0.31 -2.09 120.40 118.49 1ibm s VAL 71 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1ibm s VAL 71 Cb -0.23 -0.60 0.11 0.00 0.00 0.00 0.00 36.38 35.66 1ibm s VAL 71 CO 0.27 0.11 0.28 -0.83 0.00 0.00 0.00 175.10 174.93 1ibm s GLY 72 N 1.98 -0.15 -0.12 4.51 0.00 -1.08 -1.07 107.32 111.38 1ibm s GLY 72 Ca 0.04 0.44 0.16 0.00 0.00 0.00 0.00 44.72 45.36 1ibm s GLY 72 CO -0.06 2.36 0.17 2.41 0.00 0.00 0.00 173.10 177.99 1ibm n THR 73 N 5.33 0.78 -1.69 0.90 -1.04 -1.26 -4.16 114.28 113.15 1ibm n THR 73 Ca -0.05 -0.62 -0.56 0.00 -2.04 0.00 0.00 64.05 60.78 1ibm n THR 73 Cb 0.50 -0.34 -0.07 0.00 -1.82 0.00 0.00 70.33 68.60 1ibm n THR 73 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ibm n LYS 74 N -2.47 1.21 0.05 -2.82 4.81 -1.26 -4.72 118.16 112.96 1ibm n LYS 74 Ca -0.20 0.44 0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1ibm n LYS 74 Cb 0.87 -2.13 0.60 0.00 0.02 0.00 0.00 35.03 34.38 1ibm n LYS 74 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ibm h LYS 75 N 6.95 0.16 0.00 1.64 1.79 -1.93 0.15 116.57 125.34 1ibm h LYS 75 Ca -0.47 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ibm h LYS 75 Cb 1.32 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1ibm h LYS 75 CO 0.94 0.11 0.01 0.94 -1.08 0.00 0.00 179.45 180.36 1ibm n GLN 76 N -4.46 0.00 -2.06 3.15 0.00 -1.26 -2.91 117.38 109.85 1ibm n GLN 76 Ca 0.05 0.26 -0.02 0.00 -0.00 0.00 0.00 57.00 57.29 1ibm n GLN 76 Cb 0.34 -1.51 0.06 0.00 0.00 0.00 0.00 30.24 29.14 1ibm n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ibm n ALA 77 N -1.26 1.97 0.02 1.69 0.00 0.41 -4.35 120.51 118.99 1ibm n ALA 77 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1ibm n ALA 77 Cb 0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 1ibm n ALA 77 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ibm h GLN 78 N 0.60 -0.07 0.57 0.00 4.20 -1.15 -3.30 115.11 115.95 1ibm h GLN 78 Ca -0.37 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1ibm h GLN 78 Cb 1.23 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.03 1ibm h GLN 78 CO -0.16 0.39 -0.27 -0.44 -0.67 0.00 0.00 178.83 177.67 1ibm h ASP 79 N -0.56 -0.65 -1.16 1.46 3.32 -1.89 -2.97 116.42 113.97 1ibm h ASP 79 Ca -0.01 -0.03 0.37 0.00 0.02 0.00 0.00 57.03 57.38 1ibm h ASP 79 Cb 0.49 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 1ibm h ASP 79 CO 0.01 -0.35 0.79 -0.38 -1.72 0.00 0.00 179.24 177.59 1ibm n ILE 80 N -5.35 -0.11 0.03 0.35 5.41 -1.26 0.12 119.36 118.55 1ibm n ILE 80 Ca -0.12 1.20 -0.02 0.00 1.00 0.00 0.00 62.75 64.81 1ibm n ILE 80 Cb 0.34 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.29 1ibm n ILE 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1ibm h VAL 81 N 0.00 0.00 -0.80 1.39 2.07 -1.60 -3.22 116.25 114.09 1ibm h VAL 81 Ca 0.65 -0.22 0.33 0.00 0.82 0.00 0.00 66.70 68.28 1ibm h VAL 81 Cb 2.30 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.92 1ibm h VAL 81 CO -0.20 0.00 0.41 -1.14 0.02 0.00 0.00 177.57 176.66 1ibm n ARG 82 N -2.90 -0.05 0.00 1.57 0.63 0.12 0.98 116.66 117.00 1ibm n ARG 82 Ca -0.01 1.11 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1ibm n ARG 82 Cb 0.04 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1ibm n ARG 82 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1ibm n MET 83 N -4.82 0.00 -0.33 -0.14 2.81 -0.79 -0.83 117.12 113.02 1ibm n MET 83 Ca 0.30 0.00 0.28 0.00 -1.81 0.00 0.00 57.70 56.47 1ibm n MET 83 Cb 1.01 -0.61 0.53 0.00 -0.71 0.00 0.00 33.22 33.44 1ibm n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ibm h GLU 84 N 0.00 0.15 -0.81 0.03 4.39 -1.42 1.23 114.58 118.15 1ibm h GLU 84 Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1ibm h GLU 84 Cb 0.00 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1ibm h GLU 84 CO 0.00 0.10 0.53 0.00 -1.16 0.00 0.00 179.01 178.49 1ibm h ALA 85 N 1.93 1.47 0.22 3.43 0.00 0.58 -2.23 119.26 124.66 1ibm h ALA 85 Ca 0.79 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 55.32 1ibm h ALA 85 Cb 1.96 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 19.47 1ibm h ALA 85 CO -0.69 0.46 -1.58 0.93 0.00 0.00 0.00 179.25 178.37 1ibm h GLU 86 N 1.04 0.46 -1.58 0.00 5.08 0.32 -3.31 114.58 116.59 1ibm h GLU 86 Ca 0.31 -0.79 0.47 0.00 -1.00 0.00 0.00 59.36 58.35 1ibm h GLU 86 Cb -0.03 0.30 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 1ibm h GLU 86 CO -0.08 1.38 1.11 0.00 -1.00 0.00 0.00 179.01 180.41 1ibm h ARG 87 N 0.13 0.04 -5.94 2.33 2.47 0.63 -3.38 114.38 110.65 1ibm h ARG 87 Ca -0.29 -0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.82 1ibm h ARG 87 Cb 2.13 -0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 30.32 1ibm h ARG 87 CO 0.23 0.02 -0.67 0.00 0.56 0.00 0.00 179.97 180.12 1ibm s ALA 88 N -5.02 3.01 0.59 0.04 0.00 -1.05 -5.02 121.76 114.31 1ibm s ALA 88 Ca -0.06 -2.08 0.29 0.00 0.00 0.00 0.00 51.96 50.11 1ibm s ALA 88 Cb 0.27 -0.10 1.75 0.00 0.00 0.00 0.00 23.12 25.04 1ibm s ALA 88 CO 0.85 0.07 2.19 0.78 0.00 0.00 0.00 175.76 179.65 1ibm h GLY 89 N 1.97 0.00 -4.57 0.00 0.00 -1.80 -3.45 103.07 95.21 1ibm h GLY 89 Ca -0.42 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.28 1ibm h GLY 89 CO 0.70 0.00 -0.70 1.03 0.00 0.00 0.00 176.54 177.57 1ibm n MET 90 N -3.84 0.00 -0.26 4.80 2.81 -1.26 -4.98 117.12 114.39 1ibm n MET 90 Ca -0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1ibm n MET 90 Cb 0.18 -0.98 0.01 0.00 -0.71 0.00 0.00 33.22 31.73 1ibm n MET 90 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1ibm n PRO 91 N 1.13 0.08 -3.62 0.03 -0.02 -1.26 -4.49 135.00 126.85 1ibm n PRO 91 Ca 0.15 -0.13 -0.05 0.00 -2.02 0.00 0.00 63.50 61.45 1ibm n PRO 91 Cb 0.31 -0.07 -0.04 0.00 -0.02 0.00 0.00 33.50 33.68 1ibm n PRO 91 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ibm s TYR 92 N -0.88 -0.15 -0.22 6.00 -0.85 0.31 -2.97 117.35 118.59 1ibm s TYR 92 Ca 0.04 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 1ibm s TYR 92 Cb -0.00 0.49 0.06 0.00 0.38 0.00 0.00 41.96 42.88 1ibm s TYR 92 CO 0.03 -0.15 -0.05 0.08 -1.52 0.00 0.00 175.55 173.94 1ibm s VAL 93 N -1.31 1.36 -0.01 -3.49 1.01 -0.89 -2.80 120.40 114.26 1ibm s VAL 93 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1ibm s VAL 93 Cb -0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1ibm s VAL 93 CO -0.05 -0.06 -0.01 -3.20 0.00 0.00 0.00 175.10 171.79 1ibm n ASN 94 N 4.75 4.17 0.00 3.32 5.15 -1.26 -2.65 115.26 128.74 1ibm n ASN 94 Ca -0.12 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1ibm n ASN 94 Cb 0.45 0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1ibm n ASN 94 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1ibm n GLN 95 N -2.37 0.00 -3.73 1.20 -0.06 -1.26 -4.06 117.38 107.10 1ibm n GLN 95 Ca -0.02 0.36 -0.12 0.00 -2.00 0.00 0.00 57.00 55.21 1ibm n GLN 95 Cb 0.53 -1.12 -0.12 0.00 -4.06 0.00 0.00 30.24 25.47 1ibm n GLN 95 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1ibm s ARG 96 N -1.61 0.26 -0.82 3.69 6.06 -1.26 -4.81 118.95 120.46 1ibm s ARG 96 Ca 0.00 0.56 -0.25 0.00 -2.50 0.00 0.00 55.73 53.54 1ibm s ARG 96 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 34.95 34.94 1ibm s ARG 96 CO 0.00 -0.14 1.75 -0.46 -2.50 0.00 0.00 175.30 173.95 1ibm s TRP 97 N 1.12 1.95 0.11 5.12 -0.00 -1.26 -4.95 118.94 121.03 1ibm s TRP 97 Ca -0.08 0.32 -0.32 0.00 -0.00 0.00 0.00 56.10 56.02 1ibm s TRP 97 Cb -0.09 -4.25 -0.12 0.00 -0.00 0.00 0.00 33.47 29.02 1ibm s TRP 97 CO -0.08 -1.98 1.76 1.28 -0.00 0.00 0.00 176.95 177.93 1ibm n LEU 98 N 12.16 3.69 -4.62 5.86 4.77 -1.26 -4.84 117.00 132.76 1ibm n LEU 98 Ca 0.29 1.02 -0.48 0.00 -0.03 0.00 0.00 56.01 56.81 1ibm n LEU 98 Cb 0.49 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 1ibm n LEU 98 CO 0.65 0.02 1.62 0.61 -1.33 0.00 0.00 177.39 178.96 1ibm n GLY 99 N 4.01 1.17 0.00 -0.72 0.00 -1.26 -2.04 105.19 106.34 1ibm n GLY 99 Ca 0.18 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1ibm n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 100 N 5.11 0.83 0.00 -0.02 0.00 -1.26 -4.96 105.19 104.88 1ibm n GLY 100 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ibm n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ibm n MET 101 N -1.73 0.00 0.34 1.61 0.00 -0.86 0.33 117.12 116.81 1ibm n MET 101 Ca 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 57.70 58.08 1ibm n MET 101 Cb 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 33.22 31.98 1ibm n MET 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1ibm h LEU 102 N 0.00 -1.20 0.00 4.03 4.07 -1.96 0.97 115.31 121.21 1ibm h LEU 102 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ibm h LEU 102 Cb 0.00 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1ibm h LEU 102 CO 0.00 -0.66 0.00 0.41 -1.08 0.00 0.00 178.44 177.11 1ibm n THR 103 N -5.57 0.44 -2.70 0.22 -1.04 -1.16 -2.32 114.28 102.16 1ibm n THR 103 Ca -0.13 0.11 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 1ibm n THR 103 Cb 0.46 -1.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.04 1ibm n THR 103 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ibm n ASN 104 N -1.14 0.02 0.23 8.00 2.85 0.98 -4.94 115.26 121.26 1ibm n ASN 104 Ca 0.04 -2.50 -0.15 0.00 -0.11 0.00 0.00 54.58 51.86 1ibm n ASN 104 Cb 0.04 0.13 -0.08 0.00 1.24 0.00 0.00 39.78 41.11 1ibm n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1ibm h PHE 105 N 2.42 -0.59 -1.42 1.20 3.57 -0.42 0.20 116.94 121.90 1ibm h PHE 105 Ca -0.20 -0.01 0.41 0.00 3.53 0.00 0.00 57.97 61.70 1ibm h PHE 105 Cb 1.24 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.13 1ibm h PHE 105 CO 0.32 -0.35 1.28 -0.22 -2.23 0.00 0.00 178.31 177.10 1ibm h LYS 106 N -0.58 0.00 0.00 1.11 3.64 -1.87 0.35 116.57 119.22 1ibm h LYS 106 Ca -0.04 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.06 1ibm h LYS 106 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1ibm h LYS 106 CO 0.05 0.00 -1.88 2.41 -2.27 0.00 0.00 179.45 177.76 1ibm n THR 107 N -3.57 1.31 0.32 1.00 -1.04 -0.66 -3.98 114.28 107.65 1ibm n THR 107 Ca 0.32 -0.18 0.19 0.00 -2.04 0.00 0.00 64.05 62.34 1ibm n THR 107 Cb 1.71 -1.92 1.02 0.00 -1.82 0.00 0.00 70.33 69.32 1ibm n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ibm h ILE 108 N -0.82 0.00 -0.01 12.58 1.08 -0.14 0.28 117.51 130.49 1ibm h ILE 108 Ca -0.42 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1ibm h ILE 108 Cb 1.32 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1ibm h ILE 108 CO -0.26 0.00 -0.01 0.77 -0.69 0.00 0.00 178.15 177.96 1ibm h SER 109 N 0.00 0.02 -1.31 1.72 4.64 -0.51 -2.75 113.55 115.36 1ibm h SER 109 Ca 0.00 -0.49 0.39 0.00 -0.47 0.00 0.00 61.79 61.22 1ibm h SER 109 Cb 0.22 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 1ibm h SER 109 CO 0.00 0.51 0.89 1.56 -0.87 0.00 0.00 176.83 178.92 1ibm h GLN 110 N -0.46 0.12 -0.15 4.77 4.20 -0.56 0.96 115.11 123.98 1ibm h GLN 110 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1ibm h GLN 110 Cb 0.50 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ibm h GLN 110 CO 0.00 0.08 -0.07 0.00 -0.67 0.00 0.00 178.83 178.17 1ibm h ARG 111 N 0.13 0.32 -0.22 1.46 2.47 -1.28 0.77 114.38 118.01 1ibm h ARG 111 Ca 0.71 -0.14 -0.09 0.00 -1.26 0.00 0.00 59.98 59.21 1ibm h ARG 111 Cb 2.40 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.70 1ibm h ARG 111 CO -0.22 0.64 -0.23 0.28 0.56 0.00 0.00 179.97 180.99 1ibm h VAL 112 N -0.01 1.25 0.00 2.04 2.07 0.23 -2.28 116.25 119.55 1ibm h VAL 112 Ca 0.03 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1ibm h VAL 112 Cb 0.54 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1ibm h VAL 112 CO 0.02 0.37 0.00 1.41 0.02 0.00 0.00 177.57 179.40 1ibm n HIS 113 N -4.14 0.00 -0.32 1.57 -0.00 0.28 -2.63 115.22 109.96 1ibm n HIS 113 Ca -0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.90 1ibm n HIS 113 Cb 0.38 -0.44 0.36 0.00 -0.00 0.00 0.00 29.99 30.29 1ibm n HIS 113 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ibm h ARG 114 N 0.00 0.07 -0.37 -0.41 1.12 -0.82 -2.32 114.38 111.65 1ibm h ARG 114 Ca 0.00 -0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.90 1ibm h ARG 114 Cb 0.00 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.90 1ibm h ARG 114 CO 0.00 0.05 -0.22 1.25 -3.11 0.00 0.00 179.97 177.94 1ibm h LEU 115 N 0.07 -0.81 -0.84 3.80 5.85 -1.16 0.25 115.31 122.48 1ibm h LEU 115 Ca 0.65 0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.62 1ibm h LEU 115 Cb 1.44 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 42.74 1ibm h LEU 115 CO -0.80 -0.09 0.45 -0.33 -0.34 0.00 0.00 178.44 177.33 1ibm h GLU 116 N -0.01 0.67 0.00 1.25 5.08 -1.40 0.51 114.58 120.68 1ibm h GLU 116 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ibm h GLU 116 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ibm h GLU 116 CO -0.35 0.44 0.09 -1.91 -1.00 0.00 0.00 179.01 176.29 1ibm n GLU 117 N -4.82 0.01 -0.08 2.33 2.13 0.82 -0.44 120.64 120.58 1ibm n GLU 117 Ca 0.16 0.43 -0.11 0.00 0.66 0.00 0.00 57.16 58.29 1ibm n GLU 117 Cb 0.37 -1.63 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 1ibm n GLU 117 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ibm n LEU 118 N -1.48 2.16 0.11 4.31 4.77 0.16 -4.16 117.00 122.87 1ibm n LEU 118 Ca -0.00 -0.07 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 1ibm n LEU 118 Cb 0.10 -0.36 0.71 0.00 -2.33 0.00 0.00 43.42 41.54 1ibm n LEU 118 CO 0.01 0.68 1.15 -0.33 -1.33 0.00 0.00 177.39 177.57 1ibm h GLU 119 N 0.00 0.00 0.38 3.23 5.08 0.75 -1.38 114.58 122.64 1ibm h GLU 119 Ca -0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1ibm h GLU 119 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1ibm h GLU 119 CO -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 177.79 1ibm h ALA 120 N 1.79 -0.71 -0.03 3.43 0.00 -1.35 -3.08 119.26 119.32 1ibm h ALA 120 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ibm h ALA 120 Cb 0.67 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ibm h ALA 120 CO -0.00 -0.67 0.35 -0.07 0.00 0.00 0.00 179.25 178.86 1ibm h LEU 121 N -0.79 0.00 -6.48 0.00 3.38 -1.62 -2.87 115.31 106.93 1ibm h LEU 121 Ca -0.05 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.15 1ibm h LEU 121 Cb 0.39 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.84 1ibm h LEU 121 CO 0.09 0.00 0.61 0.49 0.09 0.00 0.00 178.44 179.72 1ibm n PHE 122 N -2.93 2.71 0.00 1.13 3.01 -0.56 -3.06 117.46 117.76 1ibm n PHE 122 Ca -0.01 -2.85 0.00 0.00 1.01 0.00 0.00 57.45 55.60 1ibm n PHE 122 Cb 0.41 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 38.78 1ibm n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibm n ALA 123 N 0.66 0.00 -3.06 4.37 0.00 -1.10 -4.89 120.51 116.48 1ibm n ALA 123 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 1ibm n ALA 123 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.80 1ibm n ALA 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ibm n SER 124 N 0.00 0.93 0.01 0.00 3.41 -1.12 -5.01 113.62 111.85 1ibm n SER 124 Ca 0.00 -1.65 0.13 0.00 -0.26 0.00 0.00 58.87 57.09 1ibm n SER 124 Cb 0.00 -0.17 0.45 0.00 -0.26 0.00 0.00 64.21 64.24 1ibm n SER 124 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ibm n PRO 125 N -1.49 0.04 -0.01 4.33 -0.04 -1.26 -3.32 135.00 133.24 1ibm n PRO 125 Ca 0.06 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1ibm n PRO 125 Cb 0.25 -1.53 0.64 0.00 -0.04 0.00 0.00 33.50 32.82 1ibm n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ibm n GLU 126 N -1.59 1.35 0.11 0.54 1.02 -1.26 -4.18 120.64 116.63 1ibm n GLU 126 Ca 0.06 -0.51 -0.05 0.00 -0.02 0.00 0.00 57.16 56.64 1ibm n GLU 126 Cb 0.35 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1ibm n GLU 126 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ibm h ILE 127 N 1.17 0.00 0.00 -3.67 2.04 -1.53 -1.78 117.51 113.73 1ibm h ILE 127 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ibm h ILE 127 Cb 0.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1ibm h ILE 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 1ibm n GLU 128 N -3.02 0.68 -3.44 2.37 4.71 -1.26 -4.74 120.64 115.95 1ibm n GLU 128 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.74 1ibm n GLU 128 Cb 0.13 -1.32 -0.06 0.00 -1.01 0.00 0.00 31.44 29.18 1ibm n GLU 128 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1ibm s GLU 129 N -0.84 4.23 0.05 3.49 2.12 -0.67 -4.94 118.70 122.14 1ibm s GLU 129 Ca 0.00 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.63 1ibm s GLU 129 Cb 0.00 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1ibm s GLU 129 CO 0.00 0.28 0.00 0.54 -0.54 0.00 0.00 175.26 175.54 1ibm n ARG 130 N 3.33 -0.29 -0.99 4.30 5.12 -1.26 -4.86 116.66 122.01 1ibm n ARG 130 Ca -0.10 0.23 -0.36 0.00 -1.93 0.00 0.00 57.85 55.69 1ibm n ARG 130 Cb 0.52 -0.35 0.05 0.00 -1.16 0.00 0.00 32.46 31.52 1ibm n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1ibm n PRO 131 N -2.40 -0.02 0.04 5.56 -0.04 -1.26 -4.68 135.00 132.20 1ibm n PRO 131 Ca -0.01 -0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 1ibm n PRO 131 Cb 0.06 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1ibm n PRO 131 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ibm h LYS 132 N -1.02 0.56 -0.86 0.54 1.79 -1.94 0.28 116.57 115.92 1ibm h LYS 132 Ca -0.44 -0.53 0.14 0.00 -2.18 0.00 0.00 60.65 57.64 1ibm h LYS 132 Cb 1.30 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 32.00 1ibm h LYS 132 CO 0.24 1.16 0.46 0.87 -1.08 0.00 0.00 179.45 181.10 1ibm h LYS 133 N 0.34 0.65 0.04 3.15 1.57 -2.00 0.23 116.57 120.55 1ibm h LYS 133 Ca -0.07 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.43 1ibm h LYS 133 Cb 1.51 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1ibm h LYS 133 CO 0.16 0.43 -1.11 0.93 -0.57 0.00 0.00 179.45 179.29 1ibm h GLU 134 N 0.67 0.08 -0.95 3.15 5.08 -1.89 -2.12 114.58 118.60 1ibm h GLU 134 Ca 0.46 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1ibm h GLU 134 Cb 0.61 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ibm h GLU 134 CO -0.34 1.04 0.00 0.94 -1.00 0.00 0.00 179.01 179.65 1ibm n GLN 135 N -3.39 0.70 0.02 2.33 7.27 0.69 -2.51 117.38 122.50 1ibm n GLN 135 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1ibm n GLN 135 Cb 0.97 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 32.35 1ibm n GLN 135 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ibm n VAL 136 N 0.35 0.00 -0.06 1.69 0.31 -0.52 -4.61 118.33 115.50 1ibm n VAL 136 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1ibm n VAL 136 Cb 0.25 -0.51 -0.01 0.00 -0.91 0.00 0.00 33.84 32.65 1ibm n VAL 136 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibm h ARG 137 N 0.00 -0.12 0.04 5.55 3.08 -1.29 0.53 114.38 122.17 1ibm h ARG 137 Ca 0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ibm h ARG 137 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1ibm h ARG 137 CO 0.00 -0.08 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.66 1ibm h LEU 138 N -0.12 -0.26 -0.91 3.04 3.38 -1.77 -0.67 115.31 118.00 1ibm h LEU 138 Ca 0.14 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.33 1ibm h LEU 138 Cb 0.33 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1ibm h LEU 138 CO -0.33 -0.14 0.48 0.50 0.09 0.00 0.00 178.44 179.04 1ibm h LYS 139 N -0.18 0.58 0.57 1.13 3.11 -1.43 0.20 116.57 120.55 1ibm h LYS 139 Ca 0.02 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1ibm h LYS 139 Cb 0.21 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1ibm h LYS 139 CO -0.07 0.38 -0.45 0.45 -2.81 0.00 0.00 179.45 176.95 1ibm h HIS 140 N 0.60 -1.22 -0.38 1.91 3.86 0.11 -2.38 115.15 117.65 1ibm h HIS 140 Ca 0.53 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.77 1ibm h HIS 140 Cb 0.86 0.46 -0.05 0.00 1.06 0.00 0.00 27.41 29.74 1ibm h HIS 140 CO -0.08 -0.64 -0.23 -1.91 0.86 0.00 0.00 177.93 175.94 1ibm n GLU 141 N -5.55 -0.17 -0.24 2.45 2.13 0.01 0.43 120.64 119.70 1ibm n GLU 141 Ca -0.12 0.98 -0.09 0.00 0.66 0.00 0.00 57.16 58.59 1ibm n GLU 141 Cb 0.45 -1.46 -0.08 0.00 0.27 0.00 0.00 31.44 30.62 1ibm n GLU 141 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1ibm h LEU 142 N 0.00 -1.58 0.00 4.31 3.38 -1.28 -2.07 115.31 118.06 1ibm h LEU 142 Ca 0.06 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ibm h LEU 142 Cb 0.16 0.68 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ibm h LEU 142 CO -0.36 -0.23 0.00 -0.62 0.09 0.00 0.00 178.44 177.32 1ibm n GLU 143 N -4.74 0.00 -0.22 1.13 -0.58 0.17 0.87 120.64 117.27 1ibm n GLU 143 Ca -0.00 0.35 0.01 0.00 -0.42 0.00 0.00 57.16 57.09 1ibm n GLU 143 Cb 0.22 -0.53 0.12 0.00 -0.57 0.00 0.00 31.44 30.69 1ibm n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1ibm h ARG 144 N 0.00 0.46 0.53 3.49 -0.00 -1.00 -1.64 114.38 116.22 1ibm h ARG 144 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1ibm h ARG 144 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 29.85 1ibm h ARG 144 CO 0.00 0.30 -0.39 -0.07 -0.00 0.00 0.00 179.97 179.81 1ibm h LEU 145 N 0.47 -1.02 -1.62 0.08 3.38 0.11 0.15 115.31 116.87 1ibm h LEU 145 Ca 0.32 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1ibm h LEU 145 Cb 0.38 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ibm h LEU 145 CO -0.30 -0.58 0.55 1.56 0.09 0.00 0.00 178.44 179.76 1ibm h GLN 146 N -0.90 0.00 0.13 1.13 7.50 0.21 0.30 115.11 123.47 1ibm h GLN 146 Ca -0.06 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.89 1ibm h GLN 146 Cb 0.76 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.30 1ibm h GLN 146 CO 0.02 0.00 -0.93 0.87 -1.50 0.00 0.00 178.83 177.30 1ibm h LYS 147 N 0.00 0.27 0.00 1.46 1.57 0.16 -3.33 116.57 116.69 1ibm h LYS 147 Ca 0.11 -0.46 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 1ibm h LYS 147 Cb 1.21 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 1ibm h LYS 147 CO -0.00 1.22 -2.43 0.66 -0.57 0.00 0.00 179.45 178.33 1ibm n TYR 148 N -4.11 0.04 -0.58 -1.35 0.53 -0.33 -4.49 117.16 106.87 1ibm n TYR 148 Ca -0.17 0.01 0.06 0.00 -1.02 0.00 0.00 57.90 56.78 1ibm n TYR 148 Cb 0.82 -1.01 0.34 0.00 -1.03 0.00 0.00 39.34 38.47 1ibm n TYR 148 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1ibm n LEU 149 N -3.06 4.95 -0.09 7.72 4.77 0.92 -4.55 117.00 127.66 1ibm n LEU 149 Ca -0.40 -2.51 -0.10 0.00 -0.03 0.00 0.00 56.01 52.96 1ibm n LEU 149 Cb 1.06 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1ibm n LEU 149 CO 0.33 0.58 0.86 0.77 -1.33 0.00 0.00 177.39 178.61 1ibm h SER 150 N 3.41 0.39 -0.49 -1.43 4.64 -1.67 -2.88 113.55 115.52 1ibm h SER 150 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1ibm h SER 150 Cb 1.72 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1ibm h SER 150 CO 0.40 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1ibm n GLY 151 N -0.65 2.05 0.79 -0.77 0.00 -1.24 -4.06 105.19 101.32 1ibm n GLY 151 Ca -0.03 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.40 1ibm n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ibm n PHE 152 N 1.37 0.08 -0.03 1.61 7.35 -1.12 0.11 117.46 126.84 1ibm n PHE 152 Ca 0.19 -0.05 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 1ibm n PHE 152 Cb 0.57 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.33 1ibm n PHE 152 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ibm h ARG 153 N 3.69 0.15 -0.11 -4.13 3.08 -1.65 -3.34 114.38 112.06 1ibm h ARG 153 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ibm h ARG 153 Cb 0.80 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1ibm h ARG 153 CO 0.00 0.43 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.12 1ibm h LEU 154 N -0.14 -0.48 -6.73 3.04 3.38 -1.87 -3.42 115.31 109.10 1ibm h LEU 154 Ca 0.02 0.06 -0.66 0.00 0.09 0.00 0.00 57.88 57.40 1ibm h LEU 154 Cb 0.36 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ibm h LEU 154 CO 0.01 -0.10 0.62 0.18 0.09 0.00 0.00 178.44 179.23 1ibm n LEU 155 N -3.39 0.86 -0.00 1.67 4.77 -1.26 -4.80 117.00 114.85 1ibm n LEU 155 Ca -0.01 0.84 0.07 0.00 -0.03 0.00 0.00 56.01 56.87 1ibm n LEU 155 Cb 0.09 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1ibm n LEU 155 CO -0.00 -0.63 -0.14 1.17 -1.33 0.00 0.00 177.39 176.46 1ibm n LYS 156 N 3.55 2.14 -3.93 3.23 0.00 -1.26 -5.01 118.16 116.88 1ibm n LYS 156 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 58.31 58.47 1ibm n LYS 156 Cb -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 1ibm n LYS 156 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ibm s ARG 157 N -2.40 1.82 0.31 1.64 1.70 -1.26 -5.13 118.95 115.62 1ibm s ARG 157 Ca 0.03 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.71 1ibm s ARG 157 Cb 0.10 0.54 -0.11 0.00 -0.57 0.00 0.00 34.95 34.91 1ibm s ARG 157 CO 0.57 -0.81 1.60 1.28 -1.08 0.00 0.00 175.30 176.85 1ibm n LEU 158 N -0.46 4.48 -4.70 -1.89 4.77 -1.26 -4.95 117.00 112.99 1ibm n LEU 158 Ca -0.03 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.78 1ibm n LEU 158 Cb 0.61 -1.61 0.13 0.00 -2.33 0.00 0.00 43.42 40.22 1ibm n LEU 158 CO 0.22 0.19 0.74 -2.16 -1.33 0.00 0.00 177.39 175.05 1ibm s PRO 159 N -0.69 1.59 0.00 3.23 0.04 -1.26 -4.92 135.00 132.99 1ibm s PRO 159 Ca 0.63 1.65 0.28 0.00 0.04 0.00 0.00 61.00 63.59 1ibm s PRO 159 Cb -0.49 -1.78 1.03 0.00 0.04 0.00 0.00 34.50 33.30 1ibm s PRO 159 CO 0.50 -2.23 1.76 -0.25 0.04 0.00 0.00 177.00 176.83 1ibm n ASP 160 N -3.49 0.30 -2.22 6.66 8.00 -0.75 -4.90 116.55 120.14 1ibm n ASP 160 Ca 0.13 -0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.52 1ibm n ASP 160 Cb 0.51 -0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 1ibm n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibm n ALA 161 N -1.32 -1.33 -3.26 2.24 0.00 -1.06 -4.37 120.51 111.41 1ibm n ALA 161 Ca 0.09 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.86 1ibm n ALA 161 Cb 0.32 0.49 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 1ibm n ALA 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1ibm s ILE 162 N -2.37 -0.87 -0.25 0.00 2.07 -1.13 -3.15 121.20 115.51 1ibm s ILE 162 Ca 0.12 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.17 1ibm s ILE 162 Cb -0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 1ibm s ILE 162 CO 0.05 0.00 0.52 0.12 -1.91 0.00 0.00 174.94 173.72 1ibm s PHE 163 N 2.85 3.29 -0.02 3.50 5.36 0.01 -1.31 117.98 131.67 1ibm s PHE 163 Ca 0.11 0.67 0.05 0.00 -0.96 0.00 0.00 56.93 56.81 1ibm s PHE 163 Cb -0.13 -2.71 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 1ibm s PHE 163 CO -0.19 -0.24 -0.18 0.08 -1.46 0.00 0.00 175.22 173.23 1ibm s VAL 164 N 2.15 2.79 0.00 3.12 1.01 0.15 0.11 120.40 129.74 1ibm s VAL 164 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1ibm s VAL 164 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1ibm s VAL 164 CO 0.09 0.52 0.00 0.52 0.00 0.00 0.00 175.10 176.23 1ibm n VAL 165 N 2.13 0.00 -3.14 2.92 0.31 -0.24 -0.95 118.33 119.36 1ibm n VAL 165 Ca -0.17 0.05 -0.44 0.00 -0.01 0.00 0.00 64.34 63.78 1ibm n VAL 165 Cb 0.52 -0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 33.12 1ibm n VAL 165 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ibm s ASP 166 N -1.22 6.24 0.12 4.52 2.15 -1.26 -3.30 116.67 123.92 1ibm s ASP 166 Ca 0.00 -0.81 -0.29 0.00 0.43 0.00 0.00 52.55 51.88 1ibm s ASP 166 Cb 0.00 -2.30 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 1ibm s ASP 166 CO 0.00 -0.89 1.60 1.55 -0.17 0.00 0.00 175.17 177.27 1ibm h PRO 167 N 8.99 -0.52 -0.22 4.34 0.13 -1.84 0.42 132.00 143.31 1ibm h PRO 167 Ca -0.27 0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1ibm h PRO 167 Cb 1.09 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1ibm h PRO 167 CO 0.96 -0.35 -0.53 1.15 -0.23 0.00 0.00 178.00 179.00 1ibm h THR 168 N -0.54 0.00 -0.72 1.56 2.02 -1.92 1.61 112.91 114.93 1ibm h THR 168 Ca 0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.37 1ibm h THR 168 Cb 0.61 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.92 1ibm h THR 168 CO -0.27 0.00 0.24 0.50 0.37 0.00 0.00 175.52 176.37 1ibm h LYS 169 N -0.51 0.37 -0.96 6.66 3.11 -1.85 0.13 116.57 123.52 1ibm h LYS 169 Ca 0.04 -0.02 -0.31 0.00 -2.81 0.00 0.00 60.65 57.55 1ibm h LYS 169 Cb 0.63 -0.08 -0.19 0.00 -1.00 0.00 0.00 32.23 31.59 1ibm h LYS 169 CO -0.48 0.24 0.40 0.39 -2.81 0.00 0.00 179.45 177.20 1ibm n GLU 170 N -5.05 2.15 -0.09 1.90 4.71 0.15 -4.67 120.64 119.73 1ibm n GLU 170 Ca 0.13 -2.14 -0.06 0.00 -0.01 0.00 0.00 57.16 55.08 1ibm n GLU 170 Cb 0.40 -1.86 -0.00 0.00 -1.01 0.00 0.00 31.44 28.97 1ibm n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ibm h ALA 171 N 1.60 0.05 0.00 0.62 0.00 0.50 -1.31 119.26 120.72 1ibm h ALA 171 Ca 0.39 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ibm h ALA 171 Cb 2.22 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.43 1ibm h ALA 171 CO 0.72 -0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.25 1ibm h ILE 172 N -0.14 0.00 0.00 0.00 2.04 -1.83 0.91 117.51 118.50 1ibm h ILE 172 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 1ibm h ILE 172 Cb 0.39 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1ibm h ILE 172 CO -0.41 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.37 1ibm h ALA 173 N 1.93 0.05 -0.51 1.87 0.00 -1.62 -3.25 119.26 117.74 1ibm h ALA 173 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1ibm h ALA 173 Cb 0.06 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1ibm h ALA 173 CO 0.00 0.27 -0.17 0.28 0.00 0.00 0.00 179.25 179.62 1ibm h VAL 174 N -1.00 0.41 -0.30 0.00 2.07 -0.80 -0.30 116.25 116.33 1ibm h VAL 174 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1ibm h VAL 174 Cb 0.57 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1ibm h VAL 174 CO -0.04 0.00 -0.42 -0.09 0.02 0.00 0.00 177.57 177.04 1ibm h ARG 175 N -0.06 -0.30 -0.68 1.57 2.43 -1.01 0.12 114.38 116.46 1ibm h ARG 175 Ca 0.24 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.58 1ibm h ARG 175 Cb 0.43 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.92 1ibm h ARG 175 CO -0.55 -0.20 -0.08 0.93 -1.51 0.00 0.00 179.97 178.56 1ibm h GLU 176 N -0.31 0.05 -0.31 0.20 5.08 -1.31 -0.92 114.58 117.06 1ibm h GLU 176 Ca 0.05 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ibm h GLU 176 Cb 0.46 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1ibm h GLU 176 CO -0.44 0.04 -0.19 0.00 -1.00 0.00 0.00 179.01 177.41 1ibm h ALA 177 N 1.65 -0.21 -2.51 3.43 0.00 0.67 -1.65 119.26 120.63 1ibm h ALA 177 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ibm h ALA 177 Cb 0.56 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ibm h ALA 177 CO -0.64 -0.34 0.00 0.54 0.00 0.00 0.00 179.25 178.80 1ibm n ARG 178 N -3.73 0.00 -0.31 0.00 3.00 -0.39 -0.69 116.66 114.54 1ibm n ARG 178 Ca 0.00 0.55 0.30 0.00 -0.01 0.00 0.00 57.85 58.69 1ibm n ARG 178 Cb 0.09 -1.08 0.46 0.00 0.00 0.00 0.00 32.46 31.92 1ibm n ARG 178 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ibm n LYS 179 N -1.29 0.01 0.00 5.56 4.81 -0.98 0.43 118.16 126.70 1ibm n LYS 179 Ca 0.00 0.85 0.11 0.00 -0.87 0.00 0.00 58.31 58.40 1ibm n LYS 179 Cb 0.00 -2.06 0.09 0.00 0.02 0.00 0.00 35.03 33.08 1ibm n LYS 179 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ibm n LEU 180 N -3.10 0.82 -0.25 3.14 4.77 0.14 -4.97 117.00 117.55 1ibm n LEU 180 Ca 0.25 -0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 1ibm n LEU 180 Cb 1.38 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 42.35 1ibm n LEU 180 CO 0.25 0.19 -0.03 0.49 -1.33 0.00 0.00 177.39 176.96 1ibm n PHE 181 N -1.38 -0.09 -3.30 -1.77 0.99 1.47 -5.03 117.46 108.36 1ibm n PHE 181 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.09 1ibm n PHE 181 Cb 0.34 -1.24 -0.08 0.00 -1.00 0.00 0.00 39.48 37.50 1ibm n PHE 181 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ibm s ILE 182 N -2.11 5.07 0.26 4.37 1.01 -0.89 -4.99 121.20 123.91 1ibm s ILE 182 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 1ibm s ILE 182 Cb 0.00 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 1ibm s ILE 182 CO 0.00 -0.19 0.41 -2.65 0.00 0.00 0.00 174.94 172.51 1ibm n PRO 183 N 5.62 0.02 -4.63 2.79 -0.02 -1.26 -4.40 135.00 133.12 1ibm n PRO 183 Ca -0.06 0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 1ibm n PRO 183 Cb 0.49 -1.01 -0.16 0.00 -0.02 0.00 0.00 33.50 32.80 1ibm n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ibm s VAL 184 N -1.19 2.32 -0.05 -1.45 1.01 -1.26 -2.83 120.40 116.96 1ibm s VAL 184 Ca 0.63 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1ibm s VAL 184 Cb -0.85 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1ibm s VAL 184 CO 0.58 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 175.48 1ibm s ILE 185 N 0.80 3.39 -0.26 2.22 1.09 -0.42 -1.54 121.20 126.48 1ibm s ILE 185 Ca -0.07 -0.64 -0.19 0.00 -1.10 0.00 0.00 60.65 58.66 1ibm s ILE 185 Cb -0.15 -2.37 0.07 0.00 -1.06 0.00 0.00 42.46 38.94 1ibm s ILE 185 CO -0.01 0.57 0.66 0.00 -0.10 0.00 0.00 174.94 176.06 1ibm s ALA 186 N -0.80 -1.73 -0.86 9.38 0.00 -0.81 0.33 121.76 127.28 1ibm s ALA 186 Ca 0.13 2.13 -0.22 0.00 0.00 0.00 0.00 51.96 53.99 1ibm s ALA 186 Cb -0.11 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.84 1ibm s ALA 186 CO 0.02 -0.34 1.21 -1.17 0.00 0.00 0.00 175.76 175.47 1ibm s LEU 187 N 1.06 4.12 0.50 0.00 1.98 -0.13 0.59 118.68 126.79 1ibm s LEU 187 Ca -0.06 -1.34 0.01 0.00 -2.89 0.00 0.00 54.13 49.86 1ibm s LEU 187 Cb -0.05 -2.48 -0.01 0.00 0.66 0.00 0.00 46.19 44.31 1ibm s LEU 187 CO -0.10 -1.42 0.02 0.00 -1.89 0.00 0.00 176.35 172.96 1ibm s ALA 188 N 4.21 3.97 0.10 5.97 0.00 0.19 -4.27 121.76 131.93 1ibm s ALA 188 Ca 0.34 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 1ibm s ALA 188 Cb -0.07 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1ibm s ALA 188 CO -0.01 -0.06 0.77 -0.40 0.00 0.00 0.00 175.76 176.06 1ibm n ASP 189 N -1.28 -1.15 0.00 0.00 5.75 -1.26 0.12 116.55 118.73 1ibm n ASP 189 Ca -0.18 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1ibm n ASP 189 Cb 0.67 1.85 0.00 0.00 -1.03 0.00 0.00 41.12 42.61 1ibm n ASP 189 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ibm n THR 190 N -0.55 0.00 1.00 2.12 -1.04 -1.26 -0.93 114.28 113.63 1ibm n THR 190 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ibm n THR 190 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1ibm n THR 190 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ibm n ASP 191 N -1.49 0.70 -3.34 8.00 5.75 -1.26 -2.01 116.55 122.90 1ibm n ASP 191 Ca 0.00 -1.70 -0.20 0.00 -0.01 0.00 0.00 54.79 52.87 1ibm n ASP 191 Cb 0.00 -0.35 -0.08 0.00 -1.03 0.00 0.00 41.12 39.67 1ibm n ASP 191 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ibm n SER 192 N -0.03 -0.28 -4.23 -1.12 3.41 -0.10 -4.79 113.62 106.48 1ibm n SER 192 Ca 0.00 -3.16 -0.42 0.00 -0.26 0.00 0.00 58.87 55.03 1ibm n SER 192 Cb 0.17 1.51 -0.08 0.00 -0.26 0.00 0.00 64.21 65.56 1ibm n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ibm s ASP 193 N -3.34 5.82 0.14 4.04 -1.08 -1.26 -4.45 116.67 116.55 1ibm s ASP 193 Ca 0.35 -1.94 -0.27 0.00 -0.52 0.00 0.00 52.55 50.17 1ibm s ASP 193 Cb 0.02 -2.05 -0.02 0.00 -1.46 0.00 0.00 42.92 39.41 1ibm s ASP 193 CO 0.25 -0.71 1.59 1.55 0.52 0.00 0.00 175.17 178.36 1ibm h PRO 194 N 8.47 -0.38 -1.70 4.34 0.13 -1.95 -2.41 132.00 138.50 1ibm h PRO 194 Ca -0.21 0.03 0.51 0.00 -0.87 0.00 0.00 66.00 65.46 1ibm h PRO 194 Cb 1.07 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 1ibm h PRO 194 CO 0.89 -0.25 1.19 -0.25 -0.23 0.00 0.00 178.00 179.35 1ibm n ASP 195 N -5.42 0.06 0.00 1.44 9.92 -1.26 0.11 116.55 121.40 1ibm n ASP 195 Ca -0.02 1.05 0.15 0.00 -0.53 0.00 0.00 54.79 55.44 1ibm n ASP 195 Cb 0.35 -0.52 0.84 0.00 -0.64 0.00 0.00 41.12 41.15 1ibm n ASP 195 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ibm n LEU 196 N -4.04 0.00 -4.24 0.64 4.77 -0.91 -4.72 117.00 108.49 1ibm n LEU 196 Ca 0.41 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 56.21 1ibm n LEU 196 Cb 1.78 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 42.56 1ibm n LEU 196 CO 0.35 -0.00 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.25 1ibm s VAL 197 N -2.31 2.70 0.09 4.08 1.01 0.31 -4.92 120.40 121.36 1ibm s VAL 197 Ca 0.37 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1ibm s VAL 197 Cb 0.21 -2.17 -0.14 0.00 0.00 0.00 0.00 36.38 34.28 1ibm s VAL 197 CO 0.42 0.50 1.68 0.44 0.00 0.00 0.00 175.10 178.14 1ibm h ASP 198 N 7.65 -0.40 -3.25 3.32 3.32 -1.69 -3.41 116.42 121.97 1ibm h ASP 198 Ca -0.38 0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.22 1ibm h ASP 198 Cb 1.17 0.12 -0.39 0.00 0.22 0.00 0.00 39.33 40.45 1ibm h ASP 198 CO 0.60 -0.25 -0.77 -0.31 -1.72 0.00 0.00 179.24 176.79 1ibm s TYR 199 N -6.13 0.85 0.27 4.55 1.51 -0.59 -5.00 117.35 112.82 1ibm s TYR 199 Ca -0.15 -0.48 0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1ibm s TYR 199 Cb 0.06 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1ibm s TYR 199 CO 0.65 -0.46 0.06 0.96 -1.11 0.00 0.00 175.55 175.65 1ibm s ILE 200 N 1.91 3.67 -0.36 2.71 -5.25 -1.26 -1.93 121.20 120.69 1ibm s ILE 200 Ca 0.03 -1.76 0.01 0.00 -0.99 0.00 0.00 60.65 57.93 1ibm s ILE 200 Cb -0.14 -3.00 0.11 0.00 2.95 0.00 0.00 42.46 42.38 1ibm s ILE 200 CO -0.07 -0.35 0.13 -0.63 -1.79 0.00 0.00 174.94 172.23 1ibm s ILE 201 N -2.29 1.39 -0.19 8.37 1.01 0.20 -4.39 121.20 125.30 1ibm s ILE 201 Ca 0.32 -1.97 -0.29 0.00 0.00 0.00 0.00 60.65 58.71 1ibm s ILE 201 Cb -0.06 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1ibm s ILE 201 CO 0.21 -0.72 1.28 -2.16 0.00 0.00 0.00 174.94 173.56 1ibm s PRO 202 N 1.07 4.17 0.00 2.79 0.04 -1.23 0.57 135.00 142.41 1ibm s PRO 202 Ca 0.12 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1ibm s PRO 202 Cb -0.20 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1ibm s PRO 202 CO -0.14 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.52 1ibm n GLY 203 N 3.75 2.99 0.00 0.56 0.00 0.34 -4.75 105.19 108.08 1ibm n GLY 203 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ibm n GLY 203 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ibm n ASN 204 N 0.00 0.00 0.19 1.61 4.13 -1.26 -4.40 115.26 115.52 1ibm n ASN 204 Ca 0.00 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 1ibm n ASN 204 Cb 0.00 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 38.71 1ibm n ASN 204 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1ibm h ASP 205 N 0.00 0.00 -4.10 6.41 2.03 -1.85 -3.37 116.42 115.55 1ibm h ASP 205 Ca 0.00 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 1ibm h ASP 205 Cb 0.00 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.09 1ibm h ASP 205 CO 0.00 0.00 -0.64 -0.62 -1.03 0.00 0.00 179.24 176.95 1ibm s ASP 206 N -5.14 4.29 0.00 4.15 2.15 -1.26 -4.65 116.67 116.20 1ibm s ASP 206 Ca 0.05 -3.09 0.00 0.00 0.43 0.00 0.00 52.55 49.94 1ibm s ASP 206 Cb 0.09 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 1ibm s ASP 206 CO 0.54 -0.21 0.00 0.00 -0.17 0.00 0.00 175.17 175.32 1ibm n ALA 207 N 2.99 0.00 -0.09 3.66 0.00 -1.26 -5.06 120.51 120.76 1ibm n ALA 207 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1ibm n ALA 207 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1ibm n ALA 207 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ibm n ILE 208 N 0.00 -0.14 -0.33 0.00 5.41 -1.26 -0.22 119.36 122.82 1ibm n ILE 208 Ca 0.00 1.55 0.21 0.00 1.00 0.00 0.00 62.75 65.51 1ibm n ILE 208 Cb 0.00 -2.02 0.41 0.00 -0.71 0.00 0.00 39.64 37.33 1ibm n ILE 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1ibm h ARG 209 N 0.00 0.08 0.41 0.38 9.65 -1.96 0.26 114.38 123.20 1ibm h ARG 209 Ca 0.03 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1ibm h ARG 209 Cb 0.08 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1ibm h ARG 209 CO -0.19 0.05 -0.20 1.03 2.80 0.00 0.00 179.97 183.46 1ibm h SER 210 N 0.08 -0.47 0.12 -3.80 0.87 -0.94 -2.68 113.55 106.74 1ibm h SER 210 Ca 0.69 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1ibm h SER 210 Cb 1.61 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 1ibm h SER 210 CO -0.78 -0.11 -0.14 0.40 -0.53 0.00 0.00 176.83 175.67 1ibm h ILE 211 N -0.87 0.00 -0.94 2.23 2.04 0.16 -2.57 117.51 117.56 1ibm h ILE 211 Ca -0.06 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.07 1ibm h ILE 211 Cb 0.55 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.46 1ibm h ILE 211 CO 0.09 0.00 0.05 1.67 0.00 0.00 0.00 178.15 179.96 1ibm n GLN 212 N -3.15 -0.07 0.00 2.37 0.00 0.70 -1.52 117.38 115.71 1ibm n GLN 212 Ca -0.03 1.40 0.00 0.00 -0.00 0.00 0.00 57.00 58.37 1ibm n GLN 212 Cb 0.12 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.12 1ibm n GLN 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ibm n LEU 213 N -5.38 0.00 -0.14 1.69 0.00 -1.01 -1.96 117.00 110.20 1ibm n LEU 213 Ca 0.23 0.90 -0.07 0.00 0.00 0.00 0.00 56.01 57.07 1ibm n LEU 213 Cb 0.75 -0.40 -0.05 0.00 0.00 0.00 0.00 43.42 43.72 1ibm n LEU 213 CO -0.07 -0.40 0.49 0.40 0.00 0.00 0.00 177.39 177.82 1ibm h ILE 214 N 0.00 0.00 0.00 1.96 1.08 -0.88 -2.40 117.51 117.27 1ibm h ILE 214 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ibm h ILE 214 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1ibm h ILE 214 CO 0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 1ibm n LEU 215 N -4.14 0.00 -0.17 1.44 4.77 -0.58 -1.97 117.00 116.35 1ibm n LEU 215 Ca -0.01 0.69 -0.04 0.00 -0.03 0.00 0.00 56.01 56.62 1ibm n LEU 215 Cb 0.16 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ibm n LEU 215 CO -0.04 -0.19 0.19 -1.54 -1.33 0.00 0.00 177.39 174.49 1ibm n SER 216 N -1.60 -0.41 -0.24 -1.43 3.41 -0.83 0.17 113.62 112.69 1ibm n SER 216 Ca 0.00 0.71 -0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1ibm n SER 216 Cb 0.00 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1ibm n SER 216 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ibm h ARG 217 N 0.00 -0.18 -0.51 4.33 2.47 -0.98 1.28 114.38 120.79 1ibm h ARG 217 Ca 0.07 0.01 0.15 0.00 -1.26 0.00 0.00 59.98 58.95 1ibm h ARG 217 Cb 0.17 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1ibm h ARG 217 CO -0.37 -0.12 0.37 0.00 0.56 0.00 0.00 179.97 180.41 1ibm h ALA 218 N 0.65 2.47 0.04 0.04 0.00 0.24 0.60 119.26 123.30 1ibm h ALA 218 Ca 0.19 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1ibm h ALA 218 Cb 0.55 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ibm h ALA 218 CO -0.74 -0.64 -1.03 0.28 0.00 0.00 0.00 179.25 177.13 1ibm h VAL 219 N 0.00 1.41 0.13 0.00 2.07 0.24 -1.29 116.25 118.81 1ibm h VAL 219 Ca 0.24 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 1ibm h VAL 219 Cb 0.99 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1ibm h VAL 219 CO -0.00 0.76 -0.10 0.44 0.02 0.00 0.00 177.57 178.70 1ibm h ASP 220 N 0.20 -0.25 -1.41 0.57 3.32 0.55 -1.50 116.42 117.90 1ibm h ASP 220 Ca -0.10 0.02 0.43 0.00 0.02 0.00 0.00 57.03 57.40 1ibm h ASP 220 Cb 1.68 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 41.21 1ibm h ASP 220 CO 0.18 -0.14 0.96 -0.07 -1.72 0.00 0.00 179.24 178.45 1ibm h LEU 221 N -0.21 0.18 0.27 1.55 -0.00 -0.71 1.39 115.31 117.77 1ibm h LEU 221 Ca -0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1ibm h LEU 221 Cb 0.18 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1ibm h LEU 221 CO 0.01 -0.09 -0.13 0.40 -0.00 0.00 0.00 178.44 178.63 1ibm h ILE 222 N 0.09 0.78 0.01 1.22 2.04 -0.69 -3.26 117.51 117.70 1ibm h ILE 222 Ca 0.79 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 66.16 1ibm h ILE 222 Cb 2.68 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1ibm h ILE 222 CO -0.26 0.10 -0.01 0.40 0.00 0.00 0.00 178.15 178.39 1ibm h ILE 223 N -0.62 1.31 0.00 -0.67 2.04 0.78 -3.15 117.51 117.20 1ibm h ILE 223 Ca -0.04 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ibm h ILE 223 Cb 0.44 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1ibm h ILE 223 CO 0.06 0.25 0.19 1.67 0.00 0.00 0.00 178.15 180.32 1ibm n GLN 224 N -4.89 0.15 0.00 2.37 7.27 0.43 0.13 117.38 122.84 1ibm n GLN 224 Ca -0.08 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 56.94 1ibm n GLN 224 Cb 0.22 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.38 1ibm n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ibm n ALA 225 N 2.41 0.67 -2.69 1.69 0.00 -1.19 -4.80 120.51 116.60 1ibm n ALA 225 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1ibm n ALA 225 Cb 0.07 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.58 1ibm n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibm n ARG 226 N 0.00 1.25 -3.96 0.00 1.74 0.34 -4.26 116.66 111.77 1ibm n ARG 226 Ca 0.00 -2.93 -0.25 0.00 -0.77 0.00 0.00 57.85 53.90 1ibm n ARG 226 Cb 0.34 -0.99 -0.08 0.00 -1.02 0.00 0.00 32.46 30.71 1ibm n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibm n GLY 227 N -0.31 -0.10 0.00 -0.13 0.00 -1.26 -4.78 105.19 98.61 1ibm n GLY 227 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ibm n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 228 N -2.25 0.58 0.89 -0.02 0.00 -1.26 -5.04 105.19 98.09 1ibm n GLY 228 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ibm n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibm n VAL 229 N -0.50 0.00 -2.30 1.61 0.31 -1.26 -4.81 118.33 111.38 1ibm n VAL 229 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1ibm n VAL 229 Cb 0.02 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.96 1ibm n VAL 229 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ibm s VAL 230 N -0.57 4.66 0.64 2.52 1.01 -1.26 -5.06 120.40 122.34 1ibm s VAL 230 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1ibm s VAL 230 Cb 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ibm s VAL 230 CO 0.00 -0.92 1.12 -1.83 0.00 0.00 0.00 175.10 173.47 1ibm s GLU 231 N -4.96 2.87 0.44 2.72 4.04 -1.26 -4.96 118.70 117.59 1ibm s GLU 231 Ca 0.51 1.46 -0.21 0.00 0.04 0.00 0.00 54.97 56.77 1ibm s GLU 231 Cb -0.11 -1.95 -0.14 0.00 0.02 0.00 0.00 34.13 31.95 1ibm s GLU 231 CO 0.49 -1.21 0.21 -2.30 -1.84 0.00 0.00 175.26 170.61 1ibm n PRO 232 N -2.21 0.18 -1.63 -4.83 -0.02 -1.26 -4.80 135.00 120.44 1ibm n PRO 232 Ca 0.11 0.07 -0.51 0.00 -2.02 0.00 0.00 63.50 61.14 1ibm n PRO 232 Cb 0.52 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.75 1ibm n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ibm n SER 233 N 1.93 2.12 0.11 2.55 2.88 -1.26 -4.92 113.62 117.04 1ibm n SER 233 Ca 0.11 1.10 -0.01 0.00 -1.33 0.00 0.00 58.87 58.74 1ibm n SER 233 Cb 0.41 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.61 1ibm n SER 233 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ibm h PRO 234 N 5.42 0.00 0.00 -1.46 0.13 -2.01 -3.34 132.00 130.74 1ibm h PRO 234 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ibm h PRO 234 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ibm h PRO 234 CO 0.83 0.66 0.08 -1.13 -0.23 0.00 0.00 178.00 178.22 1ibm n SER 235 N -3.26 0.13 0.00 1.44 3.41 -1.26 -2.51 113.62 111.57 1ibm n SER 235 Ca 0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1ibm n SER 235 Cb 0.81 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1ibm n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibm n TYR 236 N -1.64 0.00 -0.00 7.33 -0.00 -1.25 -1.15 117.16 120.45 1ibm n TYR 236 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 1ibm n TYR 236 Cb 0.09 -0.27 -0.14 0.00 -0.00 0.00 0.00 39.34 39.02 1ibm n TYR 236 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ibm n ALA 237 N -1.26 0.91 0.32 2.98 0.00 -1.04 -3.99 120.51 118.43 1ibm n ALA 237 Ca 0.00 -0.61 0.20 0.00 0.00 0.00 0.00 53.44 53.03 1ibm n ALA 237 Cb 0.02 -0.66 1.06 0.00 0.00 0.00 0.00 19.45 19.87 1ibm n ALA 237 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ibm h LEU 238 N 0.07 0.00 -2.45 0.00 3.38 -1.39 0.43 115.31 115.35 1ibm h LEU 238 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1ibm h LEU 238 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 1ibm h LEU 238 CO 0.08 0.00 0.01 0.58 0.09 0.00 0.00 178.44 179.20 1ibm h VAL 239 N 0.00 0.54 -0.02 1.22 2.07 -1.69 -3.51 116.25 114.86 1ibm h VAL 239 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ibm h VAL 239 Cb 0.19 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1ibm h VAL 239 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59