#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbr s HIS 2 N 0.00 3.33 -0.26 3.52 5.65 -1.26 -5.07 115.29 121.20 1hbr s HIS 2 Ca 0.00 -1.78 -0.17 0.00 0.25 0.00 0.00 55.06 53.36 1hbr s HIS 2 Cb 0.00 -2.44 -0.03 0.00 -1.18 0.00 0.00 32.58 28.93 1hbr s HIS 2 CO 0.00 -0.81 0.48 -1.58 -0.65 0.00 0.00 174.74 172.18 1hbr s TRP 3 N 1.30 3.27 0.46 3.88 0.52 -1.26 -5.08 118.94 122.03 1hbr s TRP 3 Ca -0.01 0.59 -0.09 0.00 0.02 0.00 0.00 56.10 56.62 1hbr s TRP 3 Cb -0.20 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 1hbr s TRP 3 CO 0.00 -0.26 0.80 0.95 0.02 0.00 0.00 176.95 178.47 1hbr s THR 4 N 2.20 4.82 0.25 2.01 -4.23 -1.26 -4.93 115.64 114.50 1hbr s THR 4 Ca 0.20 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1hbr s THR 4 Cb -0.16 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 70.12 1hbr s THR 4 CO 0.09 -0.71 1.85 0.00 -0.54 0.00 0.00 174.62 175.31 1hbr h ALA 5 N 0.71 1.25 -0.22 3.99 0.00 -1.99 -1.34 119.26 121.66 1hbr h ALA 5 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hbr h ALA 5 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1hbr h ALA 5 CO 0.63 0.26 0.14 0.93 0.00 0.00 0.00 179.25 181.21 1hbr h GLU 6 N 0.97 0.30 0.55 0.00 3.07 -1.99 -1.19 114.58 116.30 1hbr h GLU 6 Ca 0.40 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 1hbr h GLU 6 Cb 0.25 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1hbr h GLU 6 CO -0.20 0.24 -0.27 0.93 -1.40 0.00 0.00 179.01 178.31 1hbr h GLU 7 N 0.28 -0.72 -0.97 2.33 5.08 -1.76 -0.07 114.58 118.75 1hbr h GLU 7 Ca 0.08 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 1hbr h GLU 7 Cb 0.01 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1hbr h GLU 7 CO -0.02 -0.46 0.61 0.87 -1.00 0.00 0.00 179.01 179.01 1hbr h LYS 8 N -0.77 0.78 0.67 2.33 1.57 -1.20 0.68 116.57 120.63 1hbr h LYS 8 Ca -0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1hbr h LYS 8 Cb 0.58 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1hbr h LYS 8 CO 0.12 0.52 -0.32 -0.56 -0.57 0.00 0.00 179.45 178.64 1hbr h GLN 9 N 0.81 -0.87 -0.97 3.15 3.07 -0.87 -0.35 115.11 119.08 1hbr h GLN 9 Ca 0.50 0.06 0.18 0.00 0.09 0.00 0.00 58.65 59.49 1hbr h GLN 9 Cb 0.71 0.20 -0.09 0.00 0.08 0.00 0.00 27.48 28.38 1hbr h GLN 9 CO -0.27 -0.55 0.61 -0.07 0.09 0.00 0.00 178.83 178.64 1hbr h LEU 10 N -1.04 0.70 0.32 0.06 4.07 0.28 0.61 115.31 120.30 1hbr h LEU 10 Ca -0.09 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1hbr h LEU 10 Cb 0.72 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1hbr h LEU 10 CO 0.15 0.28 -0.15 0.40 -1.08 0.00 0.00 178.44 178.04 1hbr h ILE 11 N 0.69 0.43 -0.01 1.22 2.04 -0.82 -3.05 117.51 118.01 1hbr h ILE 11 Ca 0.53 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1hbr h ILE 11 Cb 0.91 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1hbr h ILE 11 CO -0.30 0.10 -0.06 0.74 0.00 0.00 0.00 178.15 178.63 1hbr h THR 12 N -0.98 0.84 -0.09 -0.27 2.02 -0.67 -1.23 112.91 112.52 1hbr h THR 12 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1hbr h THR 12 Cb 0.49 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1hbr h THR 12 CO 0.07 0.00 -0.37 1.23 0.37 0.00 0.00 175.52 176.82 1hbr h GLY 13 N -0.10 -0.59 1.01 2.16 0.00 -1.02 -2.22 103.07 102.31 1hbr h GLY 13 Ca 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1hbr h GLY 13 CO -0.07 -0.23 0.47 -2.00 0.00 0.00 0.00 176.54 174.71 1hbr h LEU 14 N -0.47 1.00 -0.71 3.11 6.46 -1.47 -2.76 115.31 120.48 1hbr h LEU 14 Ca 0.08 -0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.87 1hbr h LEU 14 Cb 0.59 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.19 1hbr h LEU 14 CO -0.35 0.79 0.30 -0.25 -0.62 0.00 0.00 178.44 178.31 1hbr h TRP 15 N 1.13 0.53 -0.07 1.25 2.91 -0.67 -1.40 115.95 119.62 1hbr h TRP 15 Ca 0.29 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.36 1hbr h TRP 15 Cb -0.01 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.51 1hbr h TRP 15 CO 0.00 0.13 0.27 0.78 -1.03 0.00 0.00 178.44 178.59 1hbr h GLY 16 N 0.49 0.00 -1.80 2.65 0.00 -1.11 0.02 103.07 103.32 1hbr h GLY 16 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1hbr h GLY 16 CO -0.34 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.48 1hbr n LYS 17 N -3.15 2.08 -2.66 4.80 5.02 -0.53 -4.99 118.16 118.73 1hbr n LYS 17 Ca -0.01 -1.94 -0.41 0.00 -2.02 0.00 0.00 58.31 53.93 1hbr n LYS 17 Cb 0.34 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1hbr n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hbr s VAL 18 N -1.41 4.36 -0.99 -0.18 1.01 -0.01 -4.98 120.40 118.20 1hbr s VAL 18 Ca 0.29 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 64.03 1hbr s VAL 18 Cb 0.18 -4.23 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1hbr s VAL 18 CO 0.26 0.28 1.17 0.21 0.00 0.00 0.00 175.10 177.01 1hbr s ASN 19 N 0.16 6.77 0.25 3.32 3.84 -1.26 -4.91 114.94 123.12 1hbr s ASN 19 Ca 0.49 -2.39 -0.13 0.00 0.21 0.00 0.00 52.86 51.03 1hbr s ASN 19 Cb -0.25 -2.37 0.34 0.00 -0.55 0.00 0.00 41.25 38.41 1hbr s ASN 19 CO 0.31 -0.91 1.55 0.52 -2.79 0.00 0.00 177.10 175.78 1hbr n VAL 20 N 5.04 -0.48 -0.20 -5.21 0.31 -1.26 -1.08 118.33 115.45 1hbr n VAL 20 Ca 0.26 2.31 -0.08 0.00 -0.01 0.00 0.00 64.34 66.82 1hbr n VAL 20 Cb 0.47 -3.12 0.02 0.00 -0.91 0.00 0.00 33.84 30.30 1hbr n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hbr h ALA 21 N 1.65 0.76 -0.02 3.52 0.00 -1.90 0.18 119.26 123.45 1hbr h ALA 21 Ca 0.41 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1hbr h ALA 21 Cb 0.66 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1hbr h ALA 21 CO -1.01 0.47 -0.95 0.93 0.00 0.00 0.00 179.25 178.69 1hbr h GLU 22 N 0.83 0.67 -0.08 0.00 4.39 -1.77 -2.61 114.58 116.02 1hbr h GLU 22 Ca 0.18 -0.70 -0.24 0.00 0.34 0.00 0.00 59.36 58.93 1hbr h GLU 22 Cb 0.36 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1hbr h GLU 22 CO 0.00 1.29 -0.90 0.00 -1.16 0.00 0.00 179.01 178.24 1hbr h GLY 24 N 0.54 1.03 1.34 0.00 0.00 -1.04 0.95 103.07 105.90 1hbr h GLY 24 Ca -0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1hbr h GLY 24 CO 0.18 0.40 -0.14 0.00 0.00 0.00 0.00 176.54 176.98 1hbr h ALA 25 N 1.25 0.97 -0.30 3.60 0.00 -1.51 -2.10 119.26 121.16 1hbr h ALA 25 Ca 0.26 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1hbr h ALA 25 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1hbr h ALA 25 CO -0.05 0.61 -0.53 0.93 0.00 0.00 0.00 179.25 180.21 1hbr h GLU 26 N 0.69 0.88 0.78 0.00 4.39 -1.02 -0.82 114.58 119.48 1hbr h GLU 26 Ca 0.11 -0.55 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 1hbr h GLU 26 Cb 0.62 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1hbr h GLU 26 CO 0.04 1.19 -0.37 0.00 -1.16 0.00 0.00 179.01 178.71 1hbr h ALA 27 N 0.70 -1.04 -0.80 3.43 0.00 -0.70 -0.07 119.26 120.79 1hbr h ALA 27 Ca 0.02 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1hbr h ALA 27 Cb 1.14 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1hbr h ALA 27 CO 0.12 -1.04 0.51 1.25 0.00 0.00 0.00 179.25 180.09 1hbr h LEU 28 N -1.13 0.84 -0.10 0.00 7.12 -1.45 -0.42 115.31 120.17 1hbr h LEU 28 Ca -0.11 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 1hbr h LEU 28 Cb 0.82 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1hbr h LEU 28 CO 0.18 0.58 0.06 0.00 -0.13 0.00 0.00 178.44 179.12 1hbr h ALA 29 N 1.34 0.13 -0.74 1.25 0.00 -1.08 -2.29 119.26 117.86 1hbr h ALA 29 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1hbr h ALA 29 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1hbr h ALA 29 CO -0.11 -0.35 0.44 0.00 0.00 0.00 0.00 179.25 179.23 1hbr h ARG 30 N 0.09 1.00 0.20 0.00 3.08 -0.44 -1.93 114.38 116.38 1hbr h ARG 30 Ca 0.04 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1hbr h ARG 30 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1hbr h ARG 30 CO -0.01 0.70 -0.25 1.25 -1.07 0.00 0.00 179.97 180.59 1hbr h LEU 31 N 1.02 -0.68 -1.78 3.04 5.85 -0.71 0.31 115.31 122.35 1hbr h LEU 31 Ca 0.27 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1hbr h LEU 31 Cb -0.04 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1hbr h LEU 31 CO -0.05 -0.36 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.51 1hbr h LEU 32 N -0.50 0.00 0.01 2.25 3.38 -0.99 -0.34 115.31 119.12 1hbr h LEU 32 Ca 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1hbr h LEU 32 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1hbr h LEU 32 CO -0.09 0.12 -1.85 0.00 0.09 0.00 0.00 178.44 176.71 1hbr n ILE 33 N -4.37 1.60 0.04 1.22 3.06 -0.77 -3.53 119.36 116.62 1hbr n ILE 33 Ca -0.03 -0.78 -0.06 0.00 -2.50 0.00 0.00 62.75 59.38 1hbr n ILE 33 Cb 0.19 -1.05 -0.11 0.00 0.54 0.00 0.00 39.64 39.21 1hbr n ILE 33 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1hbr h VAL 34 N 0.01 1.31 -2.57 9.51 2.07 -0.29 -3.38 116.25 122.91 1hbr h VAL 34 Ca -0.34 -3.01 -0.60 0.00 0.82 0.00 0.00 66.70 63.57 1hbr h VAL 34 Cb 2.05 2.63 -0.40 0.00 -1.52 0.00 0.00 31.29 34.05 1hbr h VAL 34 CO 0.07 0.75 -0.78 -1.22 0.02 0.00 0.00 177.57 176.40 1hbr n TYR 35 N -3.22 1.41 -0.34 1.57 4.01 -0.15 -5.00 117.16 115.44 1hbr n TYR 35 Ca -0.05 -3.85 0.21 0.00 -0.16 0.00 0.00 57.90 54.05 1hbr n TYR 35 Cb 0.94 -0.27 0.45 0.00 -0.31 0.00 0.00 39.34 40.15 1hbr n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1hbr h PRO 36 N 5.11 0.45 -0.16 -0.72 0.11 -1.75 -1.30 132.00 133.74 1hbr h PRO 36 Ca 0.19 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1hbr h PRO 36 Cb 0.81 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1hbr h PRO 36 CO 0.58 0.30 0.31 0.11 -0.21 0.00 0.00 178.00 179.10 1hbr h TRP 37 N 0.47 0.00 0.00 0.65 0.09 -1.93 0.92 115.95 116.14 1hbr h TRP 37 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.62 1hbr h TRP 37 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.67 1hbr h TRP 37 CO -0.01 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.31 1hbr h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.56 -2.98 112.91 109.83 1hbr h THR 38 Ca 0.08 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1hbr h THR 38 Cb 0.70 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1hbr h THR 38 CO -0.00 0.00 -0.15 1.56 -0.25 0.00 0.00 175.52 176.68 1hbr h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.01 -2.54 115.11 120.47 1hbr h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hbr h GLN 39 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1hbr h GLN 39 CO 0.00 0.15 0.00 0.07 -0.67 0.00 0.00 178.83 178.38 1hbr h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.71 0.13 114.38 114.37 1hbr h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hbr h ARG 40 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1hbr h ARG 40 CO 0.02 0.00 -0.39 1.19 0.10 0.00 0.00 179.97 180.89 1hbr n PHE 41 N -3.03 0.13 -1.73 4.08 3.01 -0.96 -4.08 117.46 114.87 1hbr n PHE 41 Ca -0.03 0.04 -0.03 0.00 1.01 0.00 0.00 57.45 58.44 1hbr n PHE 41 Cb 0.08 -0.40 0.15 0.00 -0.01 0.00 0.00 39.48 39.30 1hbr n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hbr n PHE 42 N -1.63 0.83 -0.13 1.38 3.72 0.45 -4.79 117.46 117.29 1hbr n PHE 42 Ca 0.05 -1.71 0.02 0.00 -0.05 0.00 0.00 57.45 55.76 1hbr n PHE 42 Cb 0.36 -0.28 0.32 0.00 -0.94 0.00 0.00 39.48 38.94 1hbr n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hbr h ALA 43 N 1.36 1.56 0.00 4.37 0.00 -1.69 -1.44 119.26 123.42 1hbr h ALA 43 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hbr h ALA 43 Cb 1.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1hbr h ALA 43 CO 0.23 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 1hbr n SER 44 N -4.44 0.00 0.08 0.00 3.41 -1.26 -2.27 113.62 109.14 1hbr n SER 44 Ca 0.06 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1hbr n SER 44 Cb 0.04 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1hbr n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1hbr h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.65 -3.50 116.94 118.11 1hbr h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1hbr h PHE 45 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1hbr h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1hbr n GLY 46 N 1.28 0.83 3.62 -1.45 0.00 -0.96 -4.78 105.19 103.72 1hbr n GLY 46 Ca 0.02 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1hbr n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbr s ASN 47 N -4.00 6.71 -0.23 1.61 3.04 -1.26 -4.84 114.94 115.97 1hbr s ASN 47 Ca 0.00 0.71 0.23 0.00 0.04 0.00 0.00 52.86 53.84 1hbr s ASN 47 Cb 0.00 -2.44 0.49 0.00 -1.54 0.00 0.00 41.25 37.77 1hbr s ASN 47 CO 0.00 -0.69 1.13 0.18 -3.04 0.00 0.00 177.10 174.68 1hbr n LEU 48 N 6.38 1.37 0.16 3.21 4.77 -1.26 -4.19 117.00 127.45 1hbr n LEU 48 Ca 0.05 -2.89 0.12 0.00 -0.03 0.00 0.00 56.01 53.26 1hbr n LEU 48 Cb 0.48 0.40 0.16 0.00 -2.33 0.00 0.00 43.42 42.13 1hbr n LEU 48 CO 0.53 0.99 0.58 0.77 -1.33 0.00 0.00 177.39 178.93 1hbr h SER 49 N 2.33 0.00 -5.13 -1.43 4.64 -1.92 -3.47 113.55 108.58 1hbr h SER 49 Ca -0.16 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 1hbr h SER 49 Cb 1.35 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.31 1hbr h SER 49 CO 0.15 0.01 -0.26 -0.94 -0.87 0.00 0.00 176.83 174.92 1hbr s SER 50 N -5.58 -0.01 0.49 4.97 1.04 -1.26 -5.00 113.70 108.35 1hbr s SER 50 Ca 0.06 -0.53 0.15 0.00 0.48 0.00 0.00 55.95 56.11 1hbr s SER 50 Cb 0.08 0.39 1.19 0.00 0.10 0.00 0.00 66.02 67.77 1hbr s SER 50 CO 0.69 -0.77 2.09 1.55 0.98 0.00 0.00 173.24 177.79 1hbr h PRO 51 N 2.61 0.14 0.17 4.02 0.13 -1.98 0.13 132.00 137.22 1hbr h PRO 51 Ca -0.34 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1hbr h PRO 51 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hbr h PRO 51 CO 0.53 0.09 -0.08 1.15 -0.23 0.00 0.00 178.00 179.46 1hbr h THR 52 N 0.15 0.94 -0.94 1.56 2.02 -1.98 0.13 112.91 114.78 1hbr h THR 52 Ca 0.09 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1hbr h THR 52 Cb 0.19 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1hbr h THR 52 CO -0.01 0.14 0.56 0.00 0.37 0.00 0.00 175.52 176.58 1hbr h ALA 53 N 0.23 1.23 -0.27 6.16 0.00 -1.64 -1.06 119.26 123.90 1hbr h ALA 53 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hbr h ALA 53 Cb 0.40 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hbr h ALA 53 CO 0.04 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.75 1hbr h ILE 54 N 1.29 1.26 -0.61 0.00 2.04 -0.66 0.80 117.51 121.64 1hbr h ILE 54 Ca 0.34 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1hbr h ILE 54 Cb -0.05 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1hbr h ILE 54 CO -0.06 0.30 0.21 -0.07 0.00 0.00 0.00 178.15 178.53 1hbr h LEU 55 N 0.26 0.83 0.00 1.44 -0.00 -0.37 -2.68 115.31 114.78 1hbr h LEU 55 Ca 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1hbr h LEU 55 Cb 0.45 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1hbr h LEU 55 CO 0.02 0.77 -0.47 1.23 -0.00 0.00 0.00 178.44 179.99 1hbr h GLY 56 N 1.00 0.00 -5.79 0.83 0.00 -1.12 -3.46 103.07 94.53 1hbr h GLY 56 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.96 1hbr h GLY 56 CO -0.01 0.00 1.25 -2.01 0.00 0.00 0.00 176.54 175.77 1hbr n ASN 57 N -2.42 3.76 -0.34 0.19 2.85 0.27 -4.88 115.26 114.69 1hbr n ASN 57 Ca 0.03 0.79 0.06 0.00 -0.11 0.00 0.00 54.58 55.36 1hbr n ASN 57 Cb 0.47 -1.48 0.22 0.00 1.24 0.00 0.00 39.78 40.24 1hbr n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1hbr h PRO 58 N 11.01 0.88 -0.03 1.20 0.11 -1.89 -2.24 132.00 141.04 1hbr h PRO 58 Ca -0.47 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 1hbr h PRO 58 Cb 1.25 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1hbr h PRO 58 CO 0.95 0.58 -0.72 0.52 -0.21 0.00 0.00 178.00 179.12 1hbr h MET 59 N 0.90 0.15 0.40 1.05 2.86 -1.90 -0.81 114.93 117.59 1hbr h MET 59 Ca 0.47 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 1hbr h MET 59 Cb 0.48 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1hbr h MET 59 CO -0.27 0.81 -0.19 0.28 1.06 0.00 0.00 176.91 178.59 1hbr h VAL 60 N 0.10 0.60 -0.56 -2.22 2.07 -1.76 0.25 116.25 114.73 1hbr h VAL 60 Ca -0.02 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.25 1hbr h VAL 60 Cb 1.27 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1hbr h VAL 60 CO 0.11 0.06 0.23 0.03 0.02 0.00 0.00 177.57 178.01 1hbr h ARG 61 N -0.72 0.41 0.00 1.57 3.08 -1.41 0.23 114.38 117.54 1hbr h ARG 61 Ca -0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1hbr h ARG 61 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1hbr h ARG 61 CO 0.09 0.27 -0.43 0.00 -1.07 0.00 0.00 179.97 178.84 1hbr h ALA 62 N 1.36 1.02 0.01 0.04 0.00 -1.05 -2.82 119.26 117.82 1hbr h ALA 62 Ca 0.27 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1hbr h ALA 62 Cb 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1hbr h ALA 62 CO -0.25 0.53 -0.39 1.25 0.00 0.00 0.00 179.25 180.39 1hbr h HIS 63 N 0.00 0.37 -0.94 0.00 -0.00 0.80 -3.14 115.15 112.23 1hbr h HIS 63 Ca -0.00 -0.21 0.17 0.00 -0.00 0.00 0.00 60.37 60.33 1hbr h HIS 63 Cb 0.91 -0.04 -0.10 0.00 -0.00 0.00 0.00 27.41 28.19 1hbr h HIS 63 CO 0.00 1.04 0.54 0.78 -0.00 0.00 0.00 177.93 180.29 1hbr h GLY 64 N -0.41 1.63 1.08 5.26 0.00 -0.56 0.18 103.07 110.26 1hbr h GLY 64 Ca -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1hbr h GLY 64 CO 0.08 -0.05 0.46 1.70 0.00 0.00 0.00 176.54 178.72 1hbr h LYS 65 N 0.71 1.20 -0.62 4.80 3.64 -1.54 -0.82 116.57 123.93 1hbr h LYS 65 Ca 0.53 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1hbr h LYS 65 Cb 0.80 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1hbr h LYS 65 CO -0.38 0.88 0.08 0.87 -2.27 0.00 0.00 179.45 178.63 1hbr h LYS 66 N 1.20 1.04 0.09 1.90 1.57 -0.65 -1.34 116.57 120.37 1hbr h LYS 66 Ca 0.30 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1hbr h LYS 66 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1hbr h LYS 66 CO -0.05 0.97 -0.04 0.28 -0.57 0.00 0.00 179.45 180.04 1hbr h VAL 67 N 0.97 1.00 -0.07 0.50 2.07 -0.35 -2.57 116.25 117.79 1hbr h VAL 67 Ca 0.19 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1hbr h VAL 67 Cb 0.45 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1hbr h VAL 67 CO 0.02 0.07 -0.25 -0.07 0.02 0.00 0.00 177.57 177.36 1hbr h LEU 68 N -0.25 0.12 -1.01 2.57 3.38 -1.14 -2.39 115.31 116.59 1hbr h LEU 68 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1hbr h LEU 68 Cb 0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1hbr h LEU 68 CO 0.02 0.37 0.46 0.74 0.09 0.00 0.00 178.44 180.13 1hbr h THR 69 N 0.12 1.24 -0.28 0.22 2.02 -1.03 -1.84 112.91 113.36 1hbr h THR 69 Ca 0.02 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 1hbr h THR 69 Cb 0.50 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1hbr h THR 69 CO 0.04 0.27 -0.35 0.77 0.37 0.00 0.00 175.52 176.61 1hbr h SER 70 N 1.16 0.65 -0.74 4.18 4.64 -1.03 -1.77 113.55 120.65 1hbr h SER 70 Ca 0.29 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1hbr h SER 70 Cb 0.02 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.88 1hbr h SER 70 CO -0.05 0.95 0.48 -0.26 -0.87 0.00 0.00 176.83 177.08 1hbr h PHE 71 N 0.53 0.80 -0.07 4.77 0.04 -1.14 0.39 116.94 122.25 1hbr h PHE 71 Ca 0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1hbr h PHE 71 Cb 0.85 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1hbr h PHE 71 CO 0.04 0.43 -0.04 0.78 -0.60 0.00 0.00 178.31 178.91 1hbr h GLY 72 N 0.79 0.10 1.93 -1.45 0.00 -0.54 0.97 103.07 104.87 1hbr h GLY 72 Ca 0.31 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 1hbr h GLY 72 CO -0.10 0.05 -0.43 -0.55 0.00 0.00 0.00 176.54 175.50 1hbr h ASP 73 N 0.10 0.09 -0.02 0.19 3.32 0.05 -2.62 116.42 117.52 1hbr h ASP 73 Ca 0.02 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 1hbr h ASP 73 Cb 0.15 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1hbr h ASP 73 CO 0.01 0.51 -0.78 0.00 -1.72 0.00 0.00 179.24 177.26 1hbr h ALA 74 N 1.50 0.39 -0.05 3.45 0.00 -0.35 -3.19 119.26 121.00 1hbr h ALA 74 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1hbr h ALA 74 Cb 0.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1hbr h ALA 74 CO 0.06 0.71 -0.01 0.28 0.00 0.00 0.00 179.25 180.29 1hbr h VAL 75 N 0.46 1.04 -1.57 0.00 2.07 -0.74 -0.78 116.25 116.73 1hbr h VAL 75 Ca -0.05 -0.16 -0.61 0.00 0.82 0.00 0.00 66.70 66.70 1hbr h VAL 75 Cb 1.39 1.01 -0.40 0.00 -1.52 0.00 0.00 31.29 31.77 1hbr h VAL 75 CO 0.15 0.05 -0.50 0.29 0.02 0.00 0.00 177.57 177.59 1hbr n LYS 76 N -4.48 3.34 -0.00 1.57 4.01 -1.06 -4.37 118.16 117.17 1hbr n LYS 76 Ca -0.02 -4.37 0.00 0.00 -0.51 0.00 0.00 58.31 53.40 1hbr n LYS 76 Cb 0.12 -2.25 0.00 0.00 -0.51 0.00 0.00 35.03 32.39 1hbr n LYS 76 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1hbr n ASN 77 N -0.49 0.00 -0.60 4.39 4.13 -1.02 -4.97 115.26 116.69 1hbr n ASN 77 Ca 0.41 -0.00 0.48 0.00 1.68 0.00 0.00 54.58 57.15 1hbr n ASN 77 Cb 0.61 0.00 0.77 0.00 -1.54 0.00 0.00 39.78 39.62 1hbr n ASN 77 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1hbr h LEU 78 N 0.00 0.00 0.00 3.41 3.38 -1.35 0.62 115.31 121.37 1hbr h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hbr h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hbr h LEU 78 CO 0.00 0.00 -0.65 0.47 0.09 0.00 0.00 178.44 178.35 1hbr n ASP 79 N -3.86 0.63 -2.51 -0.43 8.00 -1.26 -4.23 116.55 112.89 1hbr n ASP 79 Ca 0.40 -0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.74 1hbr n ASP 79 Cb 1.87 0.26 0.02 0.00 -0.02 0.00 0.00 41.12 43.25 1hbr n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hbr n ASN 80 N -1.95 3.14 -0.02 -2.24 5.15 0.21 -4.90 115.26 114.66 1hbr n ASN 80 Ca 0.04 -3.06 -0.13 0.00 -0.60 0.00 0.00 54.58 50.83 1hbr n ASN 80 Cb 0.41 -0.46 -0.09 0.00 -0.53 0.00 0.00 39.78 39.12 1hbr n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hbr h ILE 81 N 3.29 1.35 -0.44 -1.44 2.04 -1.65 -2.94 117.51 117.71 1hbr h ILE 81 Ca 0.11 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 64.99 1hbr h ILE 81 Cb 1.21 2.00 -0.10 0.00 -0.74 0.00 0.00 36.82 39.19 1hbr h ILE 81 CO 0.58 0.28 -0.34 0.11 0.00 0.00 0.00 178.15 178.78 1hbr h LYS 82 N -0.36 -0.23 -0.82 2.37 1.79 -1.91 -0.13 116.57 117.28 1hbr h LYS 82 Ca 0.01 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1hbr h LYS 82 Cb 0.46 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1hbr h LYS 82 CO 0.00 -0.16 0.54 -0.91 -1.08 0.00 0.00 179.45 177.85 1hbr h ASN 83 N -0.24 0.89 -0.05 0.86 4.21 -1.96 -2.38 115.58 116.91 1hbr h ASN 83 Ca 0.18 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.60 1hbr h ASN 83 Cb 0.55 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1hbr h ASN 83 CO -0.58 0.63 -0.18 0.74 -1.29 0.00 0.00 177.43 176.75 1hbr h THR 84 N 1.04 1.24 -0.45 2.81 2.02 -0.89 -3.18 112.91 115.50 1hbr h THR 84 Ca 0.32 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1hbr h THR 84 Cb -0.02 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1hbr h THR 84 CO -0.09 0.34 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1hbr n PHE 85 N -4.18 1.08 0.41 3.16 3.01 -0.42 -4.68 117.46 115.84 1hbr n PHE 85 Ca -0.00 -0.67 -0.19 0.00 1.01 0.00 0.00 57.45 57.60 1hbr n PHE 85 Cb 0.35 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.50 1hbr n PHE 85 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hbr h SER 86 N 2.84 -1.26 -0.46 4.37 4.64 -1.43 -0.63 113.55 121.63 1hbr h SER 86 Ca 0.00 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1hbr h SER 86 Cb 1.29 0.37 -0.08 0.00 -0.31 0.00 0.00 62.40 63.68 1hbr h SER 86 CO 0.18 -0.74 -0.02 1.56 -0.87 0.00 0.00 176.83 176.95 1hbr h GLN 87 N -1.17 0.09 -0.03 4.77 7.50 -1.84 0.15 115.11 124.58 1hbr h GLN 87 Ca -0.10 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.05 1hbr h GLN 87 Cb 0.95 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.46 1hbr h GLN 87 CO 0.08 0.06 0.02 -0.07 -1.50 0.00 0.00 178.83 177.42 1hbr h LEU 88 N 0.09 0.00 0.23 1.46 3.38 -1.83 -1.51 115.31 117.13 1hbr h LEU 88 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1hbr h LEU 88 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1hbr h LEU 88 CO -0.39 0.00 -0.11 -1.28 0.09 0.00 0.00 178.44 176.75 1hbr h SER 89 N 0.00 -0.26 -0.45 -0.43 0.87 0.88 -1.22 113.55 112.94 1hbr h SER 89 Ca 0.01 -0.18 0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1hbr h SER 89 Cb 0.06 0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 1hbr h SER 89 CO -0.00 0.04 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.96 1hbr h GLU 90 N -0.58 0.06 0.30 2.24 5.08 -0.46 0.12 114.58 121.34 1hbr h GLU 90 Ca -0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hbr h GLU 90 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1hbr h GLU 90 CO 0.05 0.04 -0.28 1.25 -1.00 0.00 0.00 179.01 179.07 1hbr h LEU 91 N 0.06 -0.76 -1.05 1.33 5.85 -1.23 0.62 115.31 120.13 1hbr h LEU 91 Ca 0.22 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1hbr h LEU 91 Cb 0.33 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1hbr h LEU 91 CO -0.41 -0.41 -0.25 0.45 -0.34 0.00 0.00 178.44 177.47 1hbr h HIS 92 N -0.61 0.41 0.00 1.25 3.86 -0.76 0.22 115.15 119.52 1hbr h HIS 92 Ca -0.01 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 1hbr h HIS 92 Cb 0.55 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1hbr h HIS 92 CO -0.17 0.60 -0.82 0.00 0.86 0.00 0.00 177.93 178.39 1hbr h ASP 94 N -1.00 -0.14 -0.55 0.00 5.19 0.09 -2.62 116.42 117.39 1hbr h ASP 94 Ca -0.13 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 1hbr h ASP 94 Cb 0.80 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 1hbr h ASP 94 CO -0.08 0.12 0.23 0.50 -3.12 0.00 0.00 179.24 176.89 1hbr h LYS 95 N -0.60 0.82 0.00 3.56 3.64 -1.30 -3.36 116.57 119.34 1hbr h LYS 95 Ca -0.02 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1hbr h LYS 95 Cb 0.13 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1hbr h LYS 95 CO 0.03 0.70 -2.01 1.28 -2.27 0.00 0.00 179.45 177.18 1hbr n LEU 96 N -4.52 0.00 -3.22 5.20 4.77 0.76 -5.03 117.00 114.97 1hbr n LEU 96 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1hbr n LEU 96 Cb 0.15 0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1hbr n LEU 96 CO 0.38 0.12 0.18 1.41 -1.33 0.00 0.00 177.39 178.16 1hbr n HIS 97 N -2.33 -2.48 -2.57 -1.77 8.25 -0.43 -4.94 115.22 108.94 1hbr n HIS 97 Ca -0.11 0.84 -0.43 0.00 -0.26 0.00 0.00 57.72 57.77 1hbr n HIS 97 Cb 0.68 -4.60 -0.02 0.00 1.12 0.00 0.00 29.99 27.17 1hbr n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hbr s VAL 98 N -3.26 4.44 0.29 1.59 1.01 0.67 -4.98 120.40 120.16 1hbr s VAL 98 Ca 0.49 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 1hbr s VAL 98 Cb -0.22 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.78 1hbr s VAL 98 CO 0.60 -0.36 1.60 -0.62 0.00 0.00 0.00 175.10 176.33 1hbr s ASP 99 N 1.83 6.36 0.52 3.32 -1.08 -1.26 -4.75 116.67 121.61 1hbr s ASP 99 Ca 0.49 2.96 0.23 0.00 -0.52 0.00 0.00 52.55 55.71 1hbr s ASP 99 Cb -0.15 -2.63 1.34 0.00 -1.46 0.00 0.00 42.92 40.01 1hbr s ASP 99 CO 0.15 -0.92 2.00 -0.65 0.52 0.00 0.00 175.17 176.26 1hbr h PRO 100 N 4.91 0.06 -0.38 4.34 0.11 -1.97 -0.76 132.00 138.30 1hbr h PRO 100 Ca -0.47 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1hbr h PRO 100 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1hbr h PRO 100 CO 0.80 0.04 0.29 1.49 -0.21 0.00 0.00 178.00 180.41 1hbr h GLU 101 N 0.06 0.00 -0.12 1.05 4.57 -2.00 0.24 114.58 118.37 1hbr h GLU 101 Ca 0.25 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.27 1hbr h GLU 101 Cb 0.92 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1hbr h GLU 101 CO -0.02 0.00 -0.59 -0.91 -1.18 0.00 0.00 179.01 176.31 1hbr h ASN 102 N 0.00 0.46 -0.32 1.04 4.21 -1.49 -2.17 115.58 117.31 1hbr h ASN 102 Ca 0.18 -0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.44 1hbr h ASN 102 Cb 0.76 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 1hbr h ASN 102 CO -0.00 0.94 0.20 -0.26 -1.29 0.00 0.00 177.43 177.02 1hbr h PHE 103 N 0.31 0.38 -0.73 1.19 0.04 -1.05 -1.34 116.94 115.73 1hbr h PHE 103 Ca -0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1hbr h PHE 103 Cb 1.12 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 39.11 1hbr h PHE 103 CO 0.04 0.23 0.35 -0.09 -0.60 0.00 0.00 178.31 178.24 1hbr h ARG 104 N 0.41 1.04 -0.74 1.51 2.43 -1.34 -1.81 114.38 115.90 1hbr h ARG 104 Ca 0.12 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1hbr h ARG 104 Cb -0.03 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1hbr h ARG 104 CO -0.04 0.81 0.37 -0.07 -1.51 0.00 0.00 179.97 179.52 1hbr h LEU 105 N 1.04 0.94 -0.45 3.80 3.38 -0.77 -1.41 115.31 121.84 1hbr h LEU 105 Ca 0.25 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1hbr h LEU 105 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1hbr h LEU 105 CO -0.03 0.78 -0.25 0.25 0.09 0.00 0.00 178.44 179.29 1hbr h LEU 106 N 1.04 0.99 -0.55 1.67 5.85 -0.55 -2.50 115.31 121.27 1hbr h LEU 106 Ca 0.26 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1hbr h LEU 106 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1hbr h LEU 106 CO -0.04 1.19 0.35 1.23 -0.34 0.00 0.00 178.44 180.84 1hbr h GLY 107 N 0.80 0.77 0.93 3.75 0.00 -0.86 0.83 103.07 109.29 1hbr h GLY 107 Ca 0.10 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1hbr h GLY 107 CO 0.07 0.26 0.50 -0.55 0.00 0.00 0.00 176.54 176.82 1hbr h ASP 108 N 0.72 0.84 -0.45 0.19 5.19 -1.19 -1.25 116.42 120.46 1hbr h ASP 108 Ca 0.21 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1hbr h ASP 108 Cb -0.06 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.24 1hbr h ASP 108 CO -0.06 0.59 0.08 0.40 -3.12 0.00 0.00 179.24 177.14 1hbr h ILE 109 N 0.99 1.24 -0.84 0.35 2.04 -0.93 -2.22 117.51 118.15 1hbr h ILE 109 Ca 0.30 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1hbr h ILE 109 Cb -0.05 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1hbr h ILE 109 CO -0.09 0.31 0.51 0.25 0.00 0.00 0.00 178.15 179.13 1hbr h LEU 110 N 0.62 0.77 -0.64 1.44 5.85 -0.31 0.36 115.31 123.39 1hbr h LEU 110 Ca 0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1hbr h LEU 110 Cb 0.38 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1hbr h LEU 110 CO 0.01 0.48 0.42 0.40 -0.34 0.00 0.00 178.44 179.41 1hbr h ILE 111 N 0.90 1.15 -0.03 4.05 1.08 -0.91 -0.33 117.51 123.43 1hbr h ILE 111 Ca 0.38 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.48 1hbr h ILE 111 Cb 0.24 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1hbr h ILE 111 CO -0.20 0.16 -0.34 0.40 -0.69 0.00 0.00 178.15 177.48 1hbr h ILE 112 N 0.85 1.25 -0.00 -0.67 2.04 -0.64 -1.92 117.51 118.42 1hbr h ILE 112 Ca 0.24 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1hbr h ILE 112 Cb -0.08 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1hbr h ILE 112 CO -0.06 0.35 -0.00 0.58 0.00 0.00 0.00 178.15 179.02 1hbr h VAL 113 N 0.05 1.36 -0.73 1.67 2.07 0.10 -2.40 116.25 118.37 1hbr h VAL 113 Ca 0.00 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1hbr h VAL 113 Cb 0.62 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1hbr h VAL 113 CO 0.05 0.28 0.48 -0.07 0.02 0.00 0.00 177.57 178.32 1hbr h LEU 114 N -0.44 0.68 -0.59 2.57 3.38 -0.96 -1.84 115.31 118.10 1hbr h LEU 114 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1hbr h LEU 114 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1hbr h LEU 114 CO 0.00 0.44 -0.33 0.00 0.09 0.00 0.00 178.44 178.64 1hbr h ALA 115 N 1.60 0.77 0.00 1.53 0.00 -1.29 -1.38 119.26 120.50 1hbr h ALA 115 Ca 0.32 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1hbr h ALA 115 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1hbr h ALA 115 CO -0.11 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 1hbr h ALA 116 N 0.99 0.98 0.00 0.00 0.00 -0.86 -0.55 119.26 119.82 1hbr h ALA 116 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hbr h ALA 116 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1hbr h ALA 116 CO 0.08 0.09 -0.95 0.72 0.00 0.00 0.00 179.25 179.18 1hbr n HIS 117 N -3.15 0.07 -0.20 0.00 -0.00 -0.75 -4.45 115.22 106.74 1hbr n HIS 117 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1hbr n HIS 117 Cb 0.43 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1hbr n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1hbr n PHE 118 N -1.68 0.00 -0.04 4.41 3.72 -0.54 -5.07 117.46 118.26 1hbr n PHE 118 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1hbr n PHE 118 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1hbr n PHE 118 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1hbr n SER 119 N -0.29 0.00 0.02 4.37 2.88 -0.22 -1.10 113.62 119.28 1hbr n SER 119 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 1hbr n SER 119 Cb 0.05 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.22 1hbr n SER 119 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1hbr h LYS 120 N 0.00 0.00 0.00 -1.46 1.57 -1.99 0.43 116.57 115.12 1hbr h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hbr h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hbr h LYS 120 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.44 1hbr h ASP 121 N 0.00 0.00 -1.80 0.86 5.19 -1.51 -3.29 116.42 115.86 1hbr h ASP 121 Ca 0.26 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.94 1hbr h ASP 121 Cb 1.39 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.75 1hbr h ASP 121 CO -0.00 0.00 1.62 0.33 -3.12 0.00 0.00 179.24 178.07 1hbr n PHE 122 N -2.96 4.71 -1.39 4.55 7.35 0.15 -4.94 117.46 124.93 1hbr n PHE 122 Ca -0.00 -3.21 -0.31 0.00 -0.76 0.00 0.00 57.45 53.18 1hbr n PHE 122 Cb 0.24 -2.26 0.08 0.00 0.35 0.00 0.00 39.48 37.89 1hbr n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hbr s THR 123 N 2.00 3.44 0.42 -2.13 -4.23 -1.24 -4.73 115.64 109.17 1hbr s THR 123 Ca 0.45 0.47 0.13 0.00 -1.18 0.00 0.00 61.69 61.56 1hbr s THR 123 Cb -0.00 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.10 1hbr s THR 123 CO 0.02 -0.61 1.96 -0.65 -0.54 0.00 0.00 174.62 174.80 1hbr h PRO 124 N -1.05 0.44 -0.32 3.99 0.11 -1.94 0.41 132.00 133.65 1hbr h PRO 124 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1hbr h PRO 124 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1hbr h PRO 124 CO 0.54 0.29 -0.37 0.93 -0.21 0.00 0.00 178.00 179.18 1hbr h GLU 125 N 0.45 0.74 -0.22 1.05 3.07 -1.99 -0.92 114.58 116.76 1hbr h GLU 125 Ca 0.30 -0.37 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1hbr h GLU 125 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1hbr h GLU 125 CO -0.09 0.99 -0.09 0.00 -1.40 0.00 0.00 179.01 178.42 1hbr h GLN 127 N 0.16 0.20 -0.92 0.00 4.15 -0.23 -1.07 115.11 117.41 1hbr h GLN 127 Ca 0.05 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.50 1hbr h GLN 127 Cb 0.57 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1hbr h GLN 127 CO 0.03 0.13 0.60 0.00 -1.93 0.00 0.00 178.83 177.66 1hbr h ALA 128 N 1.16 1.44 -0.33 3.38 0.00 -1.10 0.17 119.26 123.98 1hbr h ALA 128 Ca 0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1hbr h ALA 128 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1hbr h ALA 128 CO -0.11 0.45 -0.43 0.00 0.00 0.00 0.00 179.25 179.16 1hbr h ALA 129 N 1.48 0.61 -0.21 0.00 0.00 -0.74 -2.48 119.26 117.92 1hbr h ALA 129 Ca 0.37 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1hbr h ALA 129 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1hbr h ALA 129 CO -0.12 0.68 -0.52 -1.49 0.00 0.00 0.00 179.25 177.80 1hbr h TRP 130 N 0.68 0.92 -0.04 0.00 4.06 -0.60 -2.35 115.95 118.61 1hbr h TRP 130 Ca 0.05 -0.35 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 1hbr h TRP 130 Cb 1.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1hbr h TRP 130 CO 0.06 1.15 0.02 0.37 -3.56 0.00 0.00 178.44 176.48 1hbr h GLN 131 N 0.42 0.05 -0.08 0.49 5.75 -0.69 0.83 115.11 121.89 1hbr h GLN 131 Ca -0.01 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1hbr h GLN 131 Cb 1.13 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1hbr h GLN 131 CO 0.11 0.04 -0.19 -0.22 -2.65 0.00 0.00 178.83 175.92 1hbr h LYS 132 N 0.05 0.27 -0.45 1.69 3.64 -1.28 -2.19 116.57 118.30 1hbr h LYS 132 Ca 0.01 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1hbr h LYS 132 Cb -0.00 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1hbr h LYS 132 CO -0.00 0.79 0.18 1.25 -2.27 0.00 0.00 179.45 179.40 1hbr h LEU 133 N -0.21 0.22 -0.47 5.20 5.85 -0.62 -0.33 115.31 124.95 1hbr h LEU 133 Ca -0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1hbr h LEU 133 Cb 0.79 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1hbr h LEU 133 CO 0.04 0.16 0.26 0.58 -0.34 0.00 0.00 178.44 179.14 1hbr h VAL 134 N 0.37 1.00 -0.59 1.05 2.07 -0.91 -0.54 116.25 118.70 1hbr h VAL 134 Ca 0.21 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1hbr h VAL 134 Cb 0.17 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1hbr h VAL 134 CO -0.19 0.09 0.31 -0.09 0.02 0.00 0.00 177.57 177.72 1hbr h ARG 135 N 0.51 0.82 -0.73 1.57 2.43 -0.87 -1.00 114.38 117.11 1hbr h ARG 135 Ca 0.20 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1hbr h ARG 135 Cb 0.07 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1hbr h ARG 135 CO -0.12 0.64 0.31 0.28 -1.51 0.00 0.00 179.97 179.57 1hbr h VAL 136 N 0.79 1.25 -0.25 0.20 2.07 -0.58 -1.95 116.25 117.78 1hbr h VAL 136 Ca 0.21 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1hbr h VAL 136 Cb 0.06 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1hbr h VAL 136 CO -0.03 0.31 -0.29 0.58 0.02 0.00 0.00 177.57 178.16 1hbr h VAL 137 N 1.04 1.28 -0.47 2.57 2.07 -0.79 -1.05 116.25 120.89 1hbr h VAL 137 Ca 0.25 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1hbr h VAL 137 Cb 0.18 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1hbr h VAL 137 CO -0.02 0.43 -0.14 0.00 0.02 0.00 0.00 177.57 177.86 1hbr h ALA 138 N 1.26 0.86 0.00 1.67 0.00 -1.00 -1.69 119.26 120.36 1hbr h ALA 138 Ca 0.06 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1hbr h ALA 138 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1hbr h ALA 138 CO 0.06 0.64 -0.64 0.45 0.00 0.00 0.00 179.25 179.75 1hbr h HIS 139 N 0.79 0.00 -0.03 0.00 3.86 -1.08 -2.24 115.15 116.46 1hbr h HIS 139 Ca 0.12 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 1hbr h HIS 139 Cb 0.67 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1hbr h HIS 139 CO 0.04 0.64 -0.52 0.00 0.86 0.00 0.00 177.93 178.96 1hbr h ALA 140 N 1.36 1.08 0.00 2.45 0.00 -0.79 -3.01 119.26 120.34 1hbr h ALA 140 Ca -0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1hbr h ALA 140 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1hbr h ALA 140 CO 0.08 0.66 -0.42 -0.07 0.00 0.00 0.00 179.25 179.50 1hbr h LEU 141 N 0.07 0.00 -3.86 0.00 3.38 -1.12 -3.30 115.31 110.48 1hbr h LEU 141 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1hbr h LEU 141 Cb 0.94 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.43 1hbr h LEU 141 CO 0.07 0.36 0.74 0.00 0.09 0.00 0.00 178.44 179.70 1hbr n ALA 142 N -2.20 5.94 0.01 1.53 0.00 -0.86 -4.46 120.51 120.47 1hbr n ALA 142 Ca 0.02 -2.98 -0.12 0.00 0.00 0.00 0.00 53.44 50.36 1hbr n ALA 142 Cb 0.68 -1.64 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1hbr n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1hbr h ARG 143 N 1.73 0.09 0.00 0.00 -0.00 -1.66 -3.49 114.38 111.06 1hbr h ARG 143 Ca 0.54 -0.16 0.00 0.00 -0.00 0.00 0.00 59.98 60.36 1hbr h ARG 143 Cb 1.10 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 1hbr h ARG 143 CO 1.34 0.80 0.00 1.63 -0.00 0.00 0.00 179.97 183.74