#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgi h LEU 2 N 0.00 0.00 0.00 0.99 3.38 -1.91 -2.45 115.31 115.33 1hgi h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgi h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hgi h LEU 2 CO 0.00 0.15 -1.47 0.49 0.09 0.00 0.00 178.44 177.70 1hgi n PHE 3 N -4.11 0.08 -2.36 1.13 3.01 -1.26 -4.98 117.46 108.97 1hgi n PHE 3 Ca -0.02 0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1hgi n PHE 3 Cb 0.23 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1hgi n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hgi n GLY 4 N 1.35 -0.00 0.05 1.37 0.00 -0.92 -4.96 105.19 102.08 1hgi n GLY 4 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 1hgi n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgi n ALA 5 N -1.92 0.45 -1.92 4.61 0.00 -1.26 -0.68 120.51 119.80 1hgi n ALA 5 Ca -0.10 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1hgi n ALA 5 Cb 0.58 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1hgi n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hgi s ILE 6 N -2.01 2.76 -1.43 0.00 1.01 -1.26 -1.09 121.20 119.18 1hgi s ILE 6 Ca -0.15 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 1hgi s ILE 6 Cb 0.02 -3.40 0.09 0.00 0.01 0.00 0.00 42.46 39.18 1hgi s ILE 6 CO 0.22 0.09 0.65 0.00 0.00 0.00 0.00 174.94 175.91 1hgi n ALA 7 N 2.66 -1.14 -2.03 9.38 0.00 -1.21 -3.88 120.51 124.29 1hgi n ALA 7 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1hgi n ALA 7 Cb 0.40 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.52 1hgi n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hgi n GLY 8 N -1.34 4.03 0.14 0.00 0.00 -0.25 -4.83 105.19 102.95 1hgi n GLY 8 Ca 0.01 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1hgi n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1hgi h PHE 9 N 0.00 0.00 -3.55 1.61 -5.15 -0.59 -3.34 116.94 105.92 1hgi h PHE 9 Ca 0.00 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.07 1hgi h PHE 9 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 35.98 1hgi h PHE 9 CO 0.00 0.00 -0.29 0.42 -2.00 0.00 0.00 178.31 176.44 1hgi s ILE 10 N -3.35 5.15 0.20 0.88 1.01 -0.71 -3.95 121.20 120.43 1hgi s ILE 10 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1hgi s ILE 10 Cb 0.09 -3.97 0.13 0.00 0.01 0.00 0.00 42.46 38.72 1hgi s ILE 10 CO 0.40 -0.34 1.76 -0.33 0.00 0.00 0.00 174.94 176.43 1hgi h GLU 11 N 8.66 0.45 -2.90 2.79 5.08 -1.84 -3.21 114.58 123.62 1hgi h GLU 11 Ca -0.27 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1hgi h GLU 11 Cb 1.12 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.18 1hgi h GLU 11 CO 0.76 0.30 0.26 0.54 -1.00 0.00 0.00 179.01 179.87 1hgi s ASN 12 N -5.44 -0.39 0.88 1.42 4.22 -1.26 -4.67 114.94 109.70 1hgi s ASN 12 Ca -0.13 -0.29 -0.13 0.00 -2.14 0.00 0.00 52.86 50.17 1hgi s ASN 12 Cb 0.16 0.63 0.12 0.00 1.28 0.00 0.00 41.25 43.45 1hgi s ASN 12 CO 0.74 -1.10 1.17 -0.83 -2.04 0.00 0.00 177.10 175.04 1hgi s GLY 13 N -2.82 1.60 -0.34 0.45 0.00 -1.26 -5.01 107.32 99.95 1hgi s GLY 13 Ca 0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.07 1hgi s GLY 13 CO -0.03 -0.10 0.10 -0.98 0.00 0.00 0.00 173.10 172.09 1hgi s TRP 14 N -3.46 3.28 0.41 1.90 0.51 -1.26 -4.93 118.94 115.39 1hgi s TRP 14 Ca 0.64 -1.58 0.32 0.00 -2.12 0.00 0.00 56.10 53.36 1hgi s TRP 14 Cb -0.12 -2.35 1.65 0.00 -0.81 0.00 0.00 33.47 31.84 1hgi s TRP 14 CO 0.51 -0.77 2.12 0.93 -0.51 0.00 0.00 176.95 179.24 1hgi h GLU 15 N 8.18 0.00 0.00 4.98 5.08 -2.04 -2.47 114.58 128.31 1hgi h GLU 15 Ca -0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1hgi h GLU 15 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1hgi h GLU 15 CO 0.60 0.07 -0.23 0.78 -1.00 0.00 0.00 179.01 179.23 1hgi h GLY 16 N 0.89 0.00 -6.63 -3.84 0.00 -2.03 -3.42 103.07 88.04 1hgi h GLY 16 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1hgi h GLY 16 CO 0.01 0.00 0.95 -0.29 0.00 0.00 0.00 176.54 177.21 1hgi s MET 17 N -4.08 3.72 -0.01 4.80 -2.45 -0.93 -4.79 119.30 115.57 1hgi s MET 17 Ca -0.02 0.69 0.10 0.00 -1.25 0.00 0.00 55.69 55.20 1hgi s MET 17 Cb 0.13 -3.92 -0.12 0.00 1.25 0.00 0.00 34.83 32.17 1hgi s MET 17 CO 0.65 -1.38 0.33 0.44 1.05 0.00 0.00 175.02 176.11 1hgi n ILE 18 N 6.81 0.00 0.73 10.11 -5.35 -1.26 -4.58 119.36 125.82 1hgi n ILE 18 Ca 0.13 -0.25 0.10 0.00 -0.27 0.00 0.00 62.75 62.46 1hgi n ILE 18 Cb 0.49 0.71 0.28 0.00 -1.74 0.00 0.00 39.64 39.38 1hgi n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1hgi n ASP 19 N -1.47 2.53 0.00 7.28 5.75 -1.26 -4.98 116.55 124.40 1hgi n ASP 19 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1hgi n ASP 19 Cb 0.19 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1hgi n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hgi n GLY 20 N 1.30 0.89 0.08 6.12 0.00 -1.26 -4.80 105.19 107.52 1hgi n GLY 20 Ca 0.17 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1hgi n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1hgi h TRP 21 N 0.00 0.18 -3.18 1.61 4.06 -1.90 -3.47 115.95 113.24 1hgi h TRP 21 Ca 0.00 -0.13 -0.48 0.00 2.06 0.00 0.00 58.89 60.34 1hgi h TRP 21 Cb 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 29.16 27.99 1hgi h TRP 21 CO 0.00 1.12 -0.76 0.71 -3.56 0.00 0.00 178.44 175.95 1hgi s TYR 22 N -2.67 1.73 -0.00 0.49 2.02 -1.26 -5.02 117.35 112.64 1hgi s TYR 22 Ca -0.02 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 1hgi s TYR 22 Cb 0.09 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1hgi s TYR 22 CO 0.84 0.32 0.15 0.41 -1.57 0.00 0.00 175.55 175.69 1hgi n GLY 23 N 0.09 0.54 3.28 0.71 0.00 -1.26 0.25 105.19 108.79 1hgi n GLY 23 Ca -0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 1hgi n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hgi s PHE 24 N -2.76 2.06 -0.04 1.61 0.40 0.44 -4.88 117.98 114.80 1hgi s PHE 24 Ca 0.03 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1hgi s PHE 24 Cb -0.00 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1hgi s PHE 24 CO -0.00 0.03 -0.21 1.03 0.70 0.00 0.00 175.22 176.76 1hgi s ARG 25 N -0.84 2.03 0.38 0.44 0.52 -1.26 -0.45 118.95 119.77 1hgi s ARG 25 Ca 0.09 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1hgi s ARG 25 Cb -0.09 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 1hgi s ARG 25 CO 0.00 0.37 0.06 -3.38 0.02 0.00 0.00 175.30 172.38 1hgi s HIS 26 N -0.23 2.00 -0.13 -0.53 -3.43 0.11 -4.95 115.29 108.12 1hgi s HIS 26 Ca 0.01 -0.98 -0.04 0.00 -0.80 0.00 0.00 55.06 53.25 1hgi s HIS 26 Cb -0.11 -1.38 0.06 0.00 -1.43 0.00 0.00 32.58 29.73 1hgi s HIS 26 CO 0.02 0.04 0.20 -1.14 -2.00 0.00 0.00 174.74 171.86 1hgi s GLN 27 N -3.82 0.11 0.07 -0.38 0.74 -1.26 -2.09 119.66 113.03 1hgi s GLN 27 Ca 0.30 0.50 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1hgi s GLN 27 Cb 0.07 -0.50 -0.00 0.00 1.10 0.00 0.00 33.01 33.68 1hgi s GLN 27 CO 0.14 -0.41 0.09 0.27 -0.55 0.00 0.00 175.29 174.84 1hgi n ASN 28 N 5.33 -0.25 -0.33 6.67 6.94 0.11 -4.98 115.26 128.74 1hgi n ASN 28 Ca -0.05 -1.41 -0.10 0.00 -0.02 0.00 0.00 54.58 53.00 1hgi n ASN 28 Cb 0.50 0.48 -0.09 0.00 -2.36 0.00 0.00 39.78 38.31 1hgi n ASN 28 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1hgi h SER 29 N 0.41 -1.92 -0.06 0.53 0.02 -1.94 0.32 113.55 110.92 1hgi h SER 29 Ca -0.05 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1hgi h SER 29 Cb 0.25 0.84 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1hgi h SER 29 CO 0.08 -0.24 0.00 -0.62 -1.14 0.00 0.00 176.83 174.91 1hgi n GLU 30 N -5.06 1.30 0.00 3.45 4.71 -1.26 -5.03 120.64 118.76 1hgi n GLU 30 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 1hgi n GLU 30 Cb 0.25 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 1hgi n GLU 30 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hgi n GLY 31 N 0.96 0.70 3.20 0.62 0.00 0.10 -5.05 105.19 105.72 1hgi n GLY 31 Ca 0.16 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1hgi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hgi s THR 32 N -2.05 2.14 0.26 2.61 2.01 -1.26 0.04 115.64 119.39 1hgi s THR 32 Ca 0.00 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1hgi s THR 32 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1hgi s THR 32 CO 0.00 0.55 0.20 -0.83 -0.69 0.00 0.00 174.62 173.85 1hgi s GLY 33 N 0.60 1.87 0.05 4.40 0.00 -0.89 -4.96 107.32 108.38 1hgi s GLY 33 Ca -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 42.72 1hgi s GLY 33 CO 0.03 -1.44 -0.03 1.62 0.00 0.00 0.00 173.10 173.28 1hgi s GLN 34 N -3.82 0.59 -0.29 2.90 0.74 -1.26 0.04 119.66 118.56 1hgi s GLN 34 Ca 0.40 -1.16 -0.16 0.00 0.05 0.00 0.00 55.36 54.49 1hgi s GLN 34 Cb 0.05 0.18 0.13 0.00 1.10 0.00 0.00 33.01 34.47 1hgi s GLN 34 CO 0.19 -0.10 0.90 0.00 -0.55 0.00 0.00 175.29 175.74 1hgi s ALA 35 N -3.65 -2.18 0.62 1.58 0.00 0.41 -4.94 121.76 113.59 1hgi s ALA 35 Ca 0.05 2.26 -0.15 0.00 0.00 0.00 0.00 51.96 54.12 1hgi s ALA 35 Cb 0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1hgi s ALA 35 CO -0.09 -0.36 1.07 0.00 0.00 0.00 0.00 175.76 176.39 1hgi s ALA 36 N 1.42 2.65 -0.26 0.00 0.00 -1.26 -0.42 121.76 123.89 1hgi s ALA 36 Ca -0.09 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.22 1hgi s ALA 36 Cb -0.04 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1hgi s ALA 36 CO -0.16 -0.98 0.09 0.34 0.00 0.00 0.00 175.76 175.06 1hgi s ASP 37 N -2.76 5.28 0.27 0.00 2.15 0.14 -4.80 116.67 116.94 1hgi s ASP 37 Ca 0.64 -0.26 0.22 0.00 0.43 0.00 0.00 52.55 53.58 1hgi s ASP 37 Cb -0.17 -1.95 0.10 0.00 -0.30 0.00 0.00 42.92 40.59 1hgi s ASP 37 CO 0.39 -0.07 1.21 -0.07 -0.17 0.00 0.00 175.17 176.47 1hgi h LEU 38 N 8.27 0.00 -0.05 -1.34 3.38 -1.94 -2.98 115.31 120.65 1hgi h LEU 38 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1hgi h LEU 38 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1hgi h LEU 38 CO 0.58 0.03 -0.05 0.11 0.09 0.00 0.00 178.44 179.21 1hgi h LYS 39 N 0.00 0.12 -0.39 1.13 1.57 -1.97 -1.51 116.57 115.51 1hgi h LYS 39 Ca -0.01 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1hgi h LYS 39 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1hgi h LYS 39 CO 0.00 0.58 -0.36 0.66 -0.57 0.00 0.00 179.45 179.76 1hgi h SER 40 N -0.34 0.98 -0.77 0.86 4.64 -1.96 -1.39 113.55 115.56 1hgi h SER 40 Ca 0.01 -0.44 0.12 0.00 -0.47 0.00 0.00 61.79 61.01 1hgi h SER 40 Cb 0.56 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 1hgi h SER 40 CO 0.01 1.23 0.38 0.74 -0.87 0.00 0.00 176.83 178.32 1hgi h THR 41 N 0.76 0.78 -0.32 2.95 2.02 -1.52 -0.78 112.91 116.80 1hgi h THR 41 Ca 0.07 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1hgi h THR 41 Cb 0.95 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1hgi h THR 41 CO 0.09 0.11 -0.33 -0.61 0.37 0.00 0.00 175.52 175.15 1hgi h GLN 42 N 0.59 0.80 -0.18 6.66 5.75 -0.98 -1.13 115.11 126.62 1hgi h GLN 42 Ca 0.40 -0.42 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1hgi h GLN 42 Cb 0.51 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 1hgi h GLN 42 CO -0.32 1.05 -0.05 0.00 -2.65 0.00 0.00 178.83 176.86 1hgi h ALA 43 N 0.73 0.11 -0.38 3.38 0.00 -0.44 0.37 119.26 123.03 1hgi h ALA 43 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1hgi h ALA 43 Cb 0.91 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1hgi h ALA 43 CO 0.08 -0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.09 1hgi h ALA 44 N 1.17 0.48 -0.43 0.00 0.00 -1.12 -2.60 119.26 116.77 1hgi h ALA 44 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1hgi h ALA 44 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1hgi h ALA 44 CO -0.19 -0.07 0.15 0.82 0.00 0.00 0.00 179.25 179.95 1hgi h ILE 45 N 0.50 1.21 -0.71 0.00 2.04 0.04 -2.21 117.51 118.39 1hgi h ILE 45 Ca 0.14 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1hgi h ILE 45 Cb -0.04 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1hgi h ILE 45 CO -0.04 0.24 0.32 0.44 0.00 0.00 0.00 178.15 179.11 1hgi h ASP 46 N 0.55 0.95 -0.21 1.72 3.32 -0.23 0.12 116.42 122.64 1hgi h ASP 46 Ca 0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1hgi h ASP 46 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1hgi h ASP 46 CO -0.01 0.84 0.07 1.56 -1.72 0.00 0.00 179.24 179.98 1hgi h GLN 47 N 1.00 0.31 -0.09 3.56 4.20 -1.35 -0.76 115.11 121.98 1hgi h GLN 47 Ca 0.24 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1hgi h GLN 47 Cb 0.16 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1hgi h GLN 47 CO -0.03 0.40 -0.17 0.82 -0.67 0.00 0.00 178.83 179.18 1hgi h ILE 48 N 0.17 1.17 -0.01 2.54 2.04 -0.92 -1.29 117.51 121.22 1hgi h ILE 48 Ca 0.07 -0.79 -0.23 0.00 1.00 0.00 0.00 64.86 64.90 1hgi h ILE 48 Cb 0.21 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1hgi h ILE 48 CO -0.00 0.24 -0.95 0.78 0.00 0.00 0.00 178.15 178.22 1hgi h ASN 49 N 0.14 0.64 -0.44 1.72 -0.26 -0.65 -0.88 115.58 115.84 1hgi h ASN 49 Ca 0.03 -0.50 0.01 0.00 -0.56 0.00 0.00 56.30 55.28 1hgi h ASN 49 Cb 0.39 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1hgi h ASN 49 CO 0.03 1.30 0.28 1.23 -1.06 0.00 0.00 177.43 179.21 1hgi h GLY 50 N 1.01 0.62 0.98 2.83 0.00 -0.54 0.17 103.07 108.16 1hgi h GLY 50 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1hgi h GLY 50 CO 0.17 0.21 0.10 1.70 0.00 0.00 0.00 176.54 178.72 1hgi h LYS 51 N 0.58 0.21 -0.95 4.80 3.64 -1.20 -1.81 116.57 121.84 1hgi h LYS 51 Ca 0.17 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1hgi h LYS 51 Cb -0.04 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1hgi h LYS 51 CO -0.05 0.16 0.61 1.25 -2.27 0.00 0.00 179.45 179.15 1hgi h LEU 52 N 0.19 1.10 -0.55 5.20 5.85 -0.27 -2.41 115.31 124.42 1hgi h LEU 52 Ca 0.06 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1hgi h LEU 52 Cb 0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1hgi h LEU 52 CO -0.01 0.81 -0.01 0.78 -0.34 0.00 0.00 178.44 179.67 1hgi h ASN 53 N 1.29 0.96 -0.34 1.25 2.35 -0.20 -2.45 115.58 118.44 1hgi h ASN 53 Ca 0.34 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1hgi h ASN 53 Cb -0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 1hgi h ASN 53 CO -0.07 1.04 0.18 -0.09 -1.65 0.00 0.00 177.43 176.83 1hgi h ARG 54 N 0.86 0.52 0.00 0.81 9.65 -0.84 -1.17 114.38 124.21 1hgi h ARG 54 Ca 0.15 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.83 1hgi h ARG 54 Cb 0.55 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1hgi h ARG 54 CO 0.03 0.41 -0.70 0.28 2.80 0.00 0.00 179.97 182.79 1hgi h VAL 55 N 0.52 1.34 -0.01 0.20 2.07 -1.24 -3.03 116.25 116.10 1hgi h VAL 55 Ca 0.13 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1hgi h VAL 55 Cb 0.06 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1hgi h VAL 55 CO -0.02 0.69 -0.12 -0.38 0.02 0.00 0.00 177.57 177.76 1hgi n ILE 56 N -3.47 0.00 -1.68 4.57 5.41 -0.52 -4.91 119.36 118.77 1hgi n ILE 56 Ca 0.00 -0.22 -0.46 0.00 1.00 0.00 0.00 62.75 63.07 1hgi n ILE 56 Cb 0.75 0.56 -0.04 0.00 -0.71 0.00 0.00 39.64 40.20 1hgi n ILE 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hgi n GLU 57 N -0.07 2.37 -0.67 0.38 2.13 -0.75 -4.56 120.64 119.46 1hgi n GLU 57 Ca 0.16 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1hgi n GLU 57 Cb 0.37 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.36 1hgi n GLU 57 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1hgi n LYS 58 N 6.28 0.00 -2.54 5.31 3.00 -1.26 -4.95 118.16 123.99 1hgi n LYS 58 Ca 0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.10 1hgi n LYS 58 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 35.03 35.14 1hgi n LYS 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1hgi s THR 59 N 0.00 4.45 0.29 3.15 -4.23 -1.26 -5.02 115.64 113.01 1hgi s THR 59 Ca 0.00 1.75 -0.20 0.00 -1.18 0.00 0.00 61.69 62.06 1hgi s THR 59 Cb 0.00 -4.13 -0.09 0.00 1.34 0.00 0.00 72.50 69.62 1hgi s THR 59 CO 0.00 -0.00 0.81 0.54 -0.54 0.00 0.00 174.62 175.43 1hgi s ASN 60 N 1.34 7.06 0.02 3.99 4.22 -1.26 -5.05 114.94 125.26 1hgi s ASN 60 Ca 0.53 1.53 -0.01 0.00 -2.14 0.00 0.00 52.86 52.77 1hgi s ASN 60 Cb -0.22 -2.46 -0.04 0.00 1.28 0.00 0.00 41.25 39.80 1hgi s ASN 60 CO 0.20 -0.09 0.17 -1.83 -2.04 0.00 0.00 177.10 173.51 1hgi s GLU 61 N -2.34 3.33 0.01 3.55 -1.05 -1.26 -5.10 118.70 115.84 1hgi s GLU 61 Ca 0.49 -0.42 0.02 0.00 -0.15 0.00 0.00 54.97 54.91 1hgi s GLU 61 Cb -0.15 -3.01 -0.01 0.00 -0.44 0.00 0.00 34.13 30.52 1hgi s GLU 61 CO 0.20 0.64 -0.05 0.15 0.95 0.00 0.00 175.26 177.15 1hgi s LYS 62 N -2.13 0.42 0.00 -4.83 -0.14 -1.26 -5.13 119.74 106.67 1hgi s LYS 62 Ca 0.29 -0.33 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 1hgi s LYS 62 Cb -0.13 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.69 1hgi s LYS 62 CO 0.21 0.08 0.00 1.19 -0.76 0.00 0.00 175.35 176.08 1hgi n PHE 63 N 2.55 0.00 -2.08 3.18 3.72 -1.26 -5.01 117.46 118.56 1hgi n PHE 63 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 1hgi n PHE 63 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1hgi n PHE 63 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1hgi s HIS 64 N 2.30 3.17 0.00 1.38 2.46 -1.26 -4.98 115.29 118.37 1hgi s HIS 64 Ca 0.00 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.35 1hgi s HIS 64 Cb 0.00 -3.78 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 1hgi s HIS 64 CO 0.00 -2.80 0.00 1.04 -2.47 0.00 0.00 174.74 170.51 1hgi n GLN 65 N 3.95 1.40 -4.07 2.88 6.02 -1.26 -5.16 117.38 121.14 1hgi n GLN 65 Ca 0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 1hgi n GLN 65 Cb 0.41 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.63 1hgi n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1hgi s ILE 66 N 2.65 4.47 0.48 5.09 -4.36 -1.26 -5.09 121.20 123.19 1hgi s ILE 66 Ca 0.00 -1.35 -0.22 0.00 -0.26 0.00 0.00 60.65 58.82 1hgi s ILE 66 Cb 0.00 -3.44 -0.07 0.00 1.25 0.00 0.00 42.46 40.20 1hgi s ILE 66 CO 0.00 -0.33 1.20 -1.61 0.24 0.00 0.00 174.94 174.43 1hgi s GLU 67 N -3.87 3.61 0.00 0.37 0.41 -1.26 -4.95 118.70 113.00 1hgi s GLU 67 Ca 0.34 1.84 0.00 0.00 -0.41 0.00 0.00 54.97 56.74 1hgi s GLU 67 Cb -0.08 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1hgi s GLU 67 CO 0.26 -0.70 0.53 1.63 -0.49 0.00 0.00 175.26 176.49 1hgi n LYS 68 N -0.66 0.65 -3.73 1.61 5.02 -1.26 -4.88 118.16 114.91 1hgi n LYS 68 Ca 0.08 -0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 55.59 1hgi n LYS 68 Cb 0.48 -0.70 -0.12 0.00 -0.02 0.00 0.00 35.03 34.67 1hgi n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hgi s GLU 69 N -0.26 0.31 0.05 1.97 2.02 -1.26 -5.06 118.70 116.46 1hgi s GLU 69 Ca 0.00 0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.60 1hgi s GLU 69 Cb 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1hgi s GLU 69 CO 0.00 -0.12 -0.11 -0.06 0.02 0.00 0.00 175.26 174.99 1hgi s PHE 70 N 0.95 0.93 -0.47 1.61 0.40 -1.26 -5.07 117.98 115.07 1hgi s PHE 70 Ca -0.06 -0.42 0.10 0.00 -0.60 0.00 0.00 56.93 55.94 1hgi s PHE 70 Cb -0.07 -0.54 -0.11 0.00 0.51 0.00 0.00 43.02 42.81 1hgi s PHE 70 CO -0.07 -0.01 0.42 -1.13 0.70 0.00 0.00 175.22 175.13 1hgi n SER 71 N 1.63 0.50 -4.65 1.36 3.41 -1.26 -5.01 113.62 109.61 1hgi n SER 71 Ca -0.20 -0.73 -0.25 0.00 -0.26 0.00 0.00 58.87 57.43 1hgi n SER 71 Cb 0.55 1.01 -0.08 0.00 -0.26 0.00 0.00 64.21 65.42 1hgi n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hgi s GLU 72 N -1.96 2.11 -0.30 4.33 0.41 -1.26 -5.11 118.70 116.92 1hgi s GLU 72 Ca 0.04 -1.77 -0.12 0.00 -0.41 0.00 0.00 54.97 52.71 1hgi s GLU 72 Cb 0.08 -1.93 -0.03 0.00 -1.78 0.00 0.00 34.13 30.46 1hgi s GLU 72 CO 0.41 0.09 0.24 0.08 -0.49 0.00 0.00 175.26 175.59 1hgi s VAL 73 N -2.53 5.28 -0.03 2.63 1.01 -1.26 -4.95 120.40 120.54 1hgi s VAL 73 Ca 0.36 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1hgi s VAL 73 Cb 0.01 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1hgi s VAL 73 CO 0.20 0.13 0.07 -0.62 0.00 0.00 0.00 175.10 174.87 1hgi n GLU 74 N 5.13 1.68 0.00 2.72 1.02 -1.26 -5.12 120.64 124.81 1hgi n GLU 74 Ca -0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1hgi n GLU 74 Cb 0.51 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1hgi n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hgi n GLY 75 N 2.45 0.93 0.36 0.62 0.00 -1.26 -4.74 105.19 103.54 1hgi n GLY 75 Ca -0.04 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 1hgi n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hgi h ARG 76 N 0.00 -0.04 -0.32 1.61 2.43 -2.00 -1.32 114.38 114.75 1hgi h ARG 76 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1hgi h ARG 76 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1hgi h ARG 76 CO 0.00 -0.03 -0.30 0.97 -1.51 0.00 0.00 179.97 179.11 1hgi h ILE 77 N -0.04 1.29 0.00 1.20 6.09 -2.01 -2.78 117.51 121.26 1hgi h ILE 77 Ca 0.35 -1.46 -0.07 0.00 -1.37 0.00 0.00 64.86 62.30 1hgi h ILE 77 Cb 0.60 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 1hgi h ILE 77 CO -0.89 0.48 -0.32 -0.61 -3.07 0.00 0.00 178.15 173.73 1hgi h GLN 78 N 0.53 0.00 -0.44 2.19 4.15 -1.61 -1.50 115.11 118.44 1hgi h GLN 78 Ca 0.05 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 1hgi h GLN 78 Cb 0.87 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1hgi h GLN 78 CO 0.08 0.32 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.74 1hgi h ASP 79 N 0.00 0.79 -0.35 -0.69 3.32 -1.04 -1.66 116.42 116.79 1hgi h ASP 79 Ca -0.00 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1hgi h ASP 79 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1hgi h ASP 79 CO 0.04 0.93 -0.17 0.25 -1.72 0.00 0.00 179.24 178.57 1hgi h LEU 80 N 0.72 0.75 -0.40 1.55 5.85 -1.06 -0.50 115.31 122.22 1hgi h LEU 80 Ca 0.12 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.50 1hgi h LEU 80 Cb 0.61 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1hgi h LEU 80 CO 0.04 0.99 0.07 -0.33 -0.34 0.00 0.00 178.44 178.87 1hgi h GLU 81 N 0.51 0.19 -0.66 1.25 5.08 -1.14 0.26 114.58 120.07 1hgi h GLU 81 Ca 0.08 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1hgi h GLU 81 Cb 0.71 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1hgi h GLU 81 CO 0.05 0.13 0.15 0.87 -1.00 0.00 0.00 179.01 179.21 1hgi h LYS 82 N 0.20 1.07 -0.30 2.33 1.57 -1.19 -2.79 116.57 117.45 1hgi h LYS 82 Ca 0.20 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1hgi h LYS 82 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1hgi h LYS 82 CO -0.26 0.96 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.28 1hgi h TYR 83 N 0.99 0.83 -0.59 -1.35 3.20 -0.10 -0.36 116.97 119.60 1hgi h TYR 83 Ca 0.21 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1hgi h TYR 83 Cb 0.38 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1hgi h TYR 83 CO 0.03 0.97 0.34 0.28 -1.64 0.00 0.00 178.16 178.14 1hgi h VAL 84 N 0.58 1.18 -0.12 1.81 2.07 -0.42 -1.10 116.25 120.26 1hgi h VAL 84 Ca 0.05 -0.44 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1hgi h VAL 84 Cb 0.91 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1hgi h VAL 84 CO 0.08 0.19 -0.60 -0.08 0.02 0.00 0.00 177.57 177.19 1hgi h GLU 85 N 0.79 0.62 -0.19 1.57 4.57 -1.32 -1.62 114.58 118.99 1hgi h GLU 85 Ca 0.21 -0.50 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1hgi h GLU 85 Cb 0.01 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1hgi h GLU 85 CO -0.04 1.12 -0.32 0.22 -1.18 0.00 0.00 179.01 178.82 1hgi h ASP 86 N 0.27 0.40 1.18 1.04 3.58 -0.93 0.57 116.42 122.52 1hgi h ASP 86 Ca -0.04 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.19 1hgi h ASP 86 Cb 1.24 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1hgi h ASP 86 CO 0.12 0.70 -0.36 0.71 -2.88 0.00 0.00 179.24 177.54 1hgi h THR 87 N 0.34 0.72 -0.29 2.25 1.35 -1.16 -1.52 112.91 114.59 1hgi h THR 87 Ca 0.04 -1.63 -0.07 0.00 -0.55 0.00 0.00 66.41 64.20 1hgi h THR 87 Cb 0.74 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1hgi h THR 87 CO 0.06 0.35 -0.08 0.50 -0.25 0.00 0.00 175.52 176.10 1hgi h LYS 88 N 0.00 0.57 -0.33 4.72 3.64 -0.21 -2.40 116.57 122.57 1hgi h LYS 88 Ca -0.00 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1hgi h LYS 88 Cb 1.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1hgi h LYS 88 CO 0.05 0.77 0.08 0.82 -2.27 0.00 0.00 179.45 178.90 1hgi h ILE 89 N 0.33 1.22 -0.13 2.00 2.04 -0.62 -1.05 117.51 121.31 1hgi h ILE 89 Ca 0.07 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1hgi h ILE 89 Cb 0.57 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1hgi h ILE 89 CO 0.03 0.25 -0.10 0.44 0.00 0.00 0.00 178.15 178.78 1hgi h ASP 90 N 0.37 0.18 -0.14 1.72 3.32 -1.28 0.11 116.42 120.70 1hgi h ASP 90 Ca 0.10 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1hgi h ASP 90 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1hgi h ASP 90 CO 0.00 0.30 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.51 1hgi h LEU 91 N 0.18 0.45 -1.21 1.55 3.38 -0.99 -0.87 115.31 117.80 1hgi h LEU 91 Ca 0.04 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1hgi h LEU 91 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1hgi h LEU 91 CO 0.02 0.91 -0.15 -0.50 0.09 0.00 0.00 178.44 178.80 1hgi h TRP 92 N 0.01 0.38 -0.56 1.13 4.06 -0.80 -1.77 115.95 118.40 1hgi h TRP 92 Ca 0.01 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.82 1hgi h TRP 92 Cb 0.83 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1hgi h TRP 92 CO 0.10 0.50 0.03 0.77 -3.56 0.00 0.00 178.44 176.28 1hgi h SER 93 N 0.34 0.91 0.19 -3.49 0.02 -0.84 -0.29 113.55 110.37 1hgi h SER 93 Ca 0.06 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1hgi h SER 93 Cb 0.47 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1hgi h SER 93 CO 0.03 0.95 -0.09 0.22 -1.14 0.00 0.00 176.83 176.80 1hgi h TYR 94 N 0.87 -0.23 -0.33 3.45 3.20 -0.69 -1.96 116.97 121.27 1hgi h TYR 94 Ca 0.17 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1hgi h TYR 94 Cb 0.47 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 1hgi h TYR 94 CO 0.03 -0.14 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.46 1hgi h ASN 95 N -0.26 -0.23 -0.48 -2.11 2.35 -0.72 -0.29 115.58 113.84 1hgi h ASN 95 Ca -0.03 0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1hgi h ASN 95 Cb 0.20 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 1hgi h ASN 95 CO 0.04 -0.07 0.24 0.00 -1.65 0.00 0.00 177.43 175.99 1hgi h ALA 96 N 1.31 0.61 -0.46 -0.83 0.00 -0.86 0.35 119.26 119.39 1hgi h ALA 96 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1hgi h ALA 96 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1hgi h ALA 96 CO -0.31 -0.11 0.13 1.49 0.00 0.00 0.00 179.25 180.45 1hgi h GLU 97 N 0.47 0.72 -0.08 0.00 4.57 -0.88 -1.29 114.58 118.09 1hgi h GLU 97 Ca 0.21 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1hgi h GLU 97 Cb 0.12 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1hgi h GLU 97 CO -0.15 0.70 -0.57 1.25 -1.18 0.00 0.00 179.01 179.06 1hgi h LEU 98 N 0.61 0.29 0.29 1.64 5.85 -0.74 -2.54 115.31 120.71 1hgi h LEU 98 Ca 0.15 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hgi h LEU 98 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1hgi h LEU 98 CO -0.00 0.80 -0.14 0.25 -0.34 0.00 0.00 178.44 179.01 1hgi h LEU 99 N 0.20 -0.33 -1.34 2.25 5.85 -0.43 -1.27 115.31 120.24 1hgi h LEU 99 Ca -0.00 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1hgi h LEU 99 Cb 1.06 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1hgi h LEU 99 CO 0.09 -0.03 -0.31 -0.37 -0.34 0.00 0.00 178.44 177.47 1hgi h VAL 100 N -0.64 1.03 0.19 1.05 -1.51 -1.26 -0.71 116.25 114.40 1hgi h VAL 100 Ca -0.04 -1.16 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1hgi h VAL 100 Cb 0.45 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1hgi h VAL 100 CO 0.07 0.31 -0.09 0.00 -1.23 0.00 0.00 177.57 176.62 1hgi h ALA 101 N 1.69 -0.25 0.04 5.19 0.00 -1.19 0.07 119.26 124.81 1hgi h ALA 101 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1hgi h ALA 101 Cb 0.64 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1hgi h ALA 101 CO 0.04 -0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 178.56 1hgi h LEU 102 N -0.48 -0.36 -0.25 0.00 3.38 -0.92 -1.81 115.31 114.88 1hgi h LEU 102 Ca -0.03 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1hgi h LEU 102 Cb 0.36 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1hgi h LEU 102 CO 0.04 -0.18 -0.26 -0.33 0.09 0.00 0.00 178.44 177.80 1hgi h GLU 103 N -0.23 -0.26 -0.74 1.13 4.39 -1.01 -0.44 114.58 117.42 1hgi h GLU 103 Ca 0.03 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1hgi h GLU 103 Cb 0.27 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1hgi h GLU 103 CO -0.10 -0.17 0.35 -0.91 -1.16 0.00 0.00 179.01 177.02 1hgi h ASN 104 N -0.27 0.98 -0.63 1.42 2.35 -0.88 0.23 115.58 118.79 1hgi h ASN 104 Ca 0.14 -0.14 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1hgi h ASN 104 Cb 0.48 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1hgi h ASN 104 CO -0.40 0.85 0.34 -0.61 -1.65 0.00 0.00 177.43 175.96 1hgi h GLN 105 N 1.05 0.60 -0.25 0.81 5.75 -0.65 -0.53 115.11 121.89 1hgi h GLN 105 Ca 0.25 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.55 1hgi h GLN 105 Cb 0.14 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1hgi h GLN 105 CO -0.03 0.40 -0.48 1.25 -2.65 0.00 0.00 178.83 177.32 1hgi h HIS 106 N 0.62 0.97 -0.79 3.99 2.76 0.00 -2.73 115.15 119.98 1hgi h HIS 106 Ca 0.29 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1hgi h HIS 106 Cb 0.20 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1hgi h HIS 106 CO -0.09 1.15 0.51 1.15 -1.30 0.00 0.00 177.93 179.35 1hgi h THR 107 N 0.52 1.21 -0.58 6.26 2.02 0.43 0.14 112.91 122.91 1hgi h THR 107 Ca 0.01 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1hgi h THR 107 Cb 1.09 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1hgi h THR 107 CO 0.11 0.21 -0.01 0.40 0.37 0.00 0.00 175.52 176.60 1hgi h ILE 108 N 1.08 1.27 -0.05 3.11 2.04 -1.08 -2.34 117.51 121.54 1hgi h ILE 108 Ca 0.29 -1.14 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 1hgi h ILE 108 Cb -0.10 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1hgi h ILE 108 CO -0.06 0.41 -0.60 0.44 0.00 0.00 0.00 178.15 178.34 1hgi h ASP 109 N 0.91 0.21 0.28 1.72 3.32 -0.89 -1.84 116.42 120.13 1hgi h ASP 109 Ca 0.16 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1hgi h ASP 109 Cb 0.56 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1hgi h ASP 109 CO 0.03 0.76 -0.14 0.25 -1.72 0.00 0.00 179.24 178.42 1hgi h LEU 110 N 0.14 -0.32 -1.13 1.55 6.46 -0.69 0.13 115.31 121.45 1hgi h LEU 110 Ca -0.01 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1hgi h LEU 110 Cb 1.09 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1hgi h LEU 110 CO 0.09 -0.11 -0.16 0.71 -0.62 0.00 0.00 178.44 178.34 1hgi h THR 111 N -0.52 1.23 -0.54 1.05 1.35 -1.41 -0.82 112.91 113.26 1hgi h THR 111 Ca -0.04 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.76 1hgi h THR 111 Cb 0.39 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1hgi h THR 111 CO 0.06 0.33 0.27 -0.78 -0.25 0.00 0.00 175.52 175.16 1hgi h ASP 112 N 0.38 0.69 0.33 5.36 3.58 -1.03 -1.74 116.42 124.00 1hgi h ASP 112 Ca 0.07 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1hgi h ASP 112 Cb 0.51 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1hgi h ASP 112 CO 0.03 0.61 -0.29 -1.28 -2.88 0.00 0.00 179.24 175.43 1hgi h SER 113 N 0.72 -0.76 -0.94 2.28 0.87 -0.10 -0.98 113.55 114.63 1hgi h SER 113 Ca 0.19 0.06 0.12 0.00 -1.23 0.00 0.00 61.79 60.92 1hgi h SER 113 Cb 0.09 0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 1hgi h SER 113 CO -0.03 -0.42 0.60 -0.33 -0.53 0.00 0.00 176.83 176.12 1hgi h GLU 114 N -0.64 0.87 -0.29 2.24 4.39 -0.99 0.54 114.58 120.70 1hgi h GLU 114 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1hgi h GLU 114 Cb 0.57 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1hgi h GLU 114 CO -0.03 0.58 0.19 1.98 -1.16 0.00 0.00 179.01 180.56 1hgi h MET 115 N 0.90 0.37 -0.17 2.33 4.05 -0.88 -1.50 114.93 120.03 1hgi h MET 115 Ca 0.46 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.72 1hgi h MET 115 Cb 0.50 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1hgi h MET 115 CO -0.22 0.25 -0.46 -0.97 0.23 0.00 0.00 176.91 175.74 1hgi h ASN 116 N 0.39 0.47 -0.57 1.39 -1.24 0.56 -1.92 115.58 114.65 1hgi h ASN 116 Ca 0.10 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 56.86 1hgi h ASN 116 Cb -0.04 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 1hgi h ASN 116 CO -0.02 0.86 0.22 0.11 -1.29 0.00 0.00 177.43 177.31 1hgi h LYS 117 N 0.35 0.86 -0.37 6.67 1.57 0.28 -0.43 116.57 125.50 1hgi h LYS 117 Ca 0.02 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1hgi h LYS 117 Cb 0.94 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1hgi h LYS 117 CO 0.08 0.74 -0.02 1.25 -0.57 0.00 0.00 179.45 180.94 1hgi h LEU 118 N 0.79 0.57 -0.21 2.94 5.85 -1.06 -0.56 115.31 123.62 1hgi h LEU 118 Ca 0.19 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1hgi h LEU 118 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1hgi h LEU 118 CO -0.01 0.65 0.06 0.15 -0.34 0.00 0.00 178.44 178.94 1hgi h PHE 119 N 0.57 0.36 -0.89 1.25 3.57 -0.44 -2.16 116.94 119.20 1hgi h PHE 119 Ca 0.12 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1hgi h PHE 119 Cb 0.39 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1hgi h PHE 119 CO 0.02 0.44 0.54 0.93 -2.23 0.00 0.00 178.31 178.01 1hgi h GLU 120 N 0.17 1.20 -0.28 1.11 4.39 -0.80 -1.47 114.58 118.89 1hgi h GLU 120 Ca 0.07 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1hgi h GLU 120 Cb 0.26 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1hgi h GLU 120 CO 0.00 0.84 0.15 -0.22 -1.16 0.00 0.00 179.01 178.62 1hgi h LYS 121 N 1.22 0.39 -0.77 2.33 3.64 -0.96 -0.39 116.57 122.03 1hgi h LYS 121 Ca 0.32 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1hgi h LYS 121 Cb -0.06 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1hgi h LYS 121 CO -0.06 0.34 0.34 1.15 -2.27 0.00 0.00 179.45 178.95 1hgi h THR 122 N 0.34 1.25 0.49 1.00 2.02 -1.14 -2.60 112.91 114.27 1hgi h THR 122 Ca 0.10 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1hgi h THR 122 Cb 0.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1hgi h THR 122 CO -0.02 0.31 -0.46 -0.09 0.37 0.00 0.00 175.52 175.64 1hgi h ARG 123 N 1.09 -0.91 -0.92 6.66 2.43 -0.83 -2.31 114.38 119.59 1hgi h ARG 123 Ca 0.26 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.70 1hgi h ARG 123 Cb 0.17 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 29.81 1hgi h ARG 123 CO -0.03 -0.61 0.47 0.00 -1.51 0.00 0.00 179.97 178.29 1hgi h ARG 124 N -0.95 0.51 -0.55 0.20 3.08 -0.98 -1.68 114.38 114.02 1hgi h ARG 124 Ca -0.05 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1hgi h ARG 124 Cb 0.82 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1hgi h ARG 124 CO -0.05 0.34 0.09 0.37 -1.07 0.00 0.00 179.97 179.65 1hgi h GLN 125 N 0.53 0.91 0.00 0.04 4.15 -1.10 -2.97 115.11 116.68 1hgi h GLN 125 Ca 0.56 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1hgi h GLN 125 Cb 0.99 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1hgi h GLN 125 CO -0.46 0.88 0.00 1.28 -1.93 0.00 0.00 178.83 178.59 1hgi n LEU 126 N -4.35 0.25 0.00 -2.39 4.77 -0.64 -4.60 117.00 110.04 1hgi n LEU 126 Ca 0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1hgi n LEU 126 Cb 0.26 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1hgi n LEU 126 CO 0.41 -0.26 0.00 0.54 -1.33 0.00 0.00 177.39 176.75 1hgi n ARG 127 N -1.77 0.00 0.00 3.23 5.12 -1.12 -1.43 116.66 120.69 1hgi n ARG 127 Ca 0.04 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.97 1hgi n ARG 127 Cb 0.25 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.61 1hgi n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1hgi n GLU 128 N 14.00 0.90 0.00 5.56 4.71 -1.26 -3.87 120.64 140.68 1hgi n GLU 128 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 1hgi n GLU 128 Cb 0.00 -1.03 0.12 0.00 -1.01 0.00 0.00 31.44 29.52 1hgi n GLU 128 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1hgi n ASN 129 N -0.53 2.71 -3.95 1.62 3.02 -0.52 -4.63 115.26 112.98 1hgi n ASN 129 Ca 0.01 -1.87 -0.08 0.00 -0.03 0.00 0.00 54.58 52.61 1hgi n ASN 129 Cb 0.01 0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.17 1hgi n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hgi s ALA 130 N -2.08 0.05 0.07 5.41 0.00 -1.25 -0.57 121.76 123.38 1hgi s ALA 130 Ca 0.27 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.51 1hgi s ALA 130 Cb 0.20 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1hgi s ALA 130 CO 0.35 -0.43 -0.20 -1.21 0.00 0.00 0.00 175.76 174.27 1hgi s GLU 131 N -3.63 1.18 -0.16 0.00 2.02 -0.22 -4.93 118.70 112.96 1hgi s GLU 131 Ca 0.04 -1.03 -0.28 0.00 0.02 0.00 0.00 54.97 53.72 1hgi s GLU 131 Cb 0.05 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.92 1hgi s GLU 131 CO -0.09 0.33 0.95 -2.00 0.02 0.00 0.00 175.26 174.46 1hgi s GLU 132 N -1.57 4.34 0.00 1.61 2.12 -1.26 -0.53 118.70 123.41 1hgi s GLU 132 Ca 0.06 1.25 0.30 0.00 0.36 0.00 0.00 54.97 56.93 1hgi s GLU 132 Cb -0.09 -3.58 1.43 0.00 0.26 0.00 0.00 34.13 32.15 1hgi s GLU 132 CO 0.03 -0.39 1.99 -1.33 -0.54 0.00 0.00 175.26 175.01 1hgi n MET 133 N 5.38 0.61 -0.67 4.30 2.81 0.33 -4.91 117.12 124.97 1hgi n MET 133 Ca 0.08 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1hgi n MET 133 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1hgi n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hgi n GLY 134 N 1.25 0.81 0.83 3.03 0.00 -1.26 -4.85 105.19 105.00 1hgi n GLY 134 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1hgi n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hgi n ASN 135 N 0.00 1.72 0.00 1.61 6.94 -1.26 -4.88 115.26 119.39 1hgi n ASN 135 Ca 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 54.58 51.00 1hgi n ASN 135 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1hgi n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hgi n GLY 136 N -0.82 0.76 3.50 4.83 0.00 -1.25 -4.61 105.19 107.59 1hgi n GLY 136 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1hgi n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgi s PHE 138 N -0.14 3.69 -0.46 0.00 0.08 -1.26 -0.51 117.98 119.37 1hgi s PHE 138 Ca 0.01 0.93 -0.18 0.00 0.12 0.00 0.00 56.93 57.81 1hgi s PHE 138 Cb -0.13 -2.25 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1hgi s PHE 138 CO 0.03 0.61 0.54 0.21 -0.10 0.00 0.00 175.22 176.51 1hgi s LYS 139 N -1.31 3.13 -0.19 0.44 2.47 0.31 -4.91 119.74 119.67 1hgi s LYS 139 Ca 0.26 -0.79 -0.26 0.00 -1.56 0.00 0.00 55.97 53.62 1hgi s LYS 139 Cb -0.16 -4.03 -0.01 0.00 -1.46 0.00 0.00 37.83 32.17 1hgi s LYS 139 CO 0.14 -1.04 0.87 0.42 0.16 0.00 0.00 175.35 175.91 1hgi s ILE 140 N 2.40 4.84 -0.52 5.43 1.01 -1.26 -1.05 121.20 132.05 1hgi s ILE 140 Ca 0.14 1.70 -0.02 0.00 0.00 0.00 0.00 60.65 62.47 1hgi s ILE 140 Cb -0.18 -4.17 0.26 0.00 0.01 0.00 0.00 42.46 38.38 1hgi s ILE 140 CO 0.13 -0.02 2.21 -1.22 0.00 0.00 0.00 174.94 176.04 1hgi n TYR 141 N 5.51 2.19 -3.69 3.97 4.02 0.26 -4.88 117.16 124.55 1hgi n TYR 141 Ca 0.06 -2.29 -0.10 0.00 -0.01 0.00 0.00 57.90 55.56 1hgi n TYR 141 Cb 0.48 -1.22 -0.03 0.00 -0.02 0.00 0.00 39.34 38.54 1hgi n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 1hgi s HIS 142 N -2.62 -0.21 -0.13 -0.72 -3.43 -1.26 -3.53 115.29 103.38 1hgi s HIS 142 Ca 0.50 -0.12 -0.29 0.00 -0.80 0.00 0.00 55.06 54.34 1hgi s HIS 142 Cb 0.37 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.93 1hgi s HIS 142 CO -0.12 -0.92 1.55 0.21 -2.00 0.00 0.00 174.74 173.47 1hgi s LYS 143 N -3.85 4.07 -0.28 -0.38 2.20 -1.26 -4.96 119.74 115.27 1hgi s LYS 143 Ca 0.07 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1hgi s LYS 143 Cb -0.01 -3.95 0.08 0.00 -1.51 0.00 0.00 37.83 32.44 1hgi s LYS 143 CO -0.04 -0.96 0.04 0.00 -0.36 0.00 0.00 175.35 174.02 1hgi n ASP 145 N 4.70 0.11 0.24 0.00 5.68 -1.26 -4.17 116.55 121.85 1hgi n ASP 145 Ca -0.04 -1.36 0.06 0.00 -0.50 0.00 0.00 54.79 52.95 1hgi n ASP 145 Cb 0.43 -0.70 0.56 0.00 -1.14 0.00 0.00 41.12 40.27 1hgi n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1hgi h ASN 146 N -1.19 0.00 0.15 -1.12 2.35 -1.98 -0.08 115.58 113.70 1hgi h ASN 146 Ca -0.30 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.26 1hgi h ASN 146 Cb 0.83 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1hgi h ASN 146 CO 0.21 0.11 -0.74 0.00 -1.65 0.00 0.00 177.43 175.36 1hgi h ALA 147 N 1.89 0.53 0.34 -0.83 0.00 -1.98 0.70 119.26 119.90 1hgi h ALA 147 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1hgi h ALA 147 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hgi h ALA 147 CO 0.01 0.74 -0.16 0.00 0.00 0.00 0.00 179.25 179.84 1hgi h ILE 149 N -0.47 0.86 -0.20 0.00 1.08 -0.86 -0.29 117.51 117.62 1hgi h ILE 149 Ca -0.05 -0.23 -0.08 0.00 -0.39 0.00 0.00 64.86 64.12 1hgi h ILE 149 Cb 0.36 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1hgi h ILE 149 CO 0.08 0.12 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.38 1hgi h GLU 150 N 0.68 0.36 -0.01 2.37 4.57 -0.46 -1.80 114.58 120.28 1hgi h GLU 150 Ca 0.38 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1hgi h GLU 150 Cb 0.39 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1hgi h GLU 150 CO -0.27 0.55 -0.46 0.66 -1.18 0.00 0.00 179.01 178.32 1hgi h SER 151 N 0.33 0.02 -0.29 1.04 4.64 0.71 0.12 113.55 120.12 1hgi h SER 151 Ca 0.06 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1hgi h SER 151 Cb 0.55 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1hgi h SER 151 CO 0.04 0.48 -0.05 0.40 -0.87 0.00 0.00 176.83 176.82 1hgi h ILE 152 N 0.02 1.28 -0.09 0.95 2.04 -0.87 0.24 117.51 121.07 1hgi h ILE 152 Ca -0.00 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1hgi h ILE 152 Cb 0.82 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1hgi h ILE 152 CO 0.06 0.34 0.00 0.03 0.00 0.00 0.00 178.15 178.58 1hgi h ARG 153 N 0.31 0.16 -0.05 2.37 3.08 -1.00 -2.71 114.38 116.54 1hgi h ARG 153 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1hgi h ARG 153 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1hgi h ARG 153 CO 0.02 0.40 0.00 0.27 -1.07 0.00 0.00 179.97 179.60 1hgi n ASN 154 N -4.84 0.34 -0.26 7.04 0.23 0.37 -4.89 115.26 113.26 1hgi n ASN 154 Ca -0.06 -1.66 -0.03 0.00 -0.53 0.00 0.00 54.58 52.29 1hgi n ASN 154 Cb 0.19 -0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 37.85 1hgi n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hgi n GLY 155 N 0.77 0.48 0.53 4.83 0.00 -0.19 -4.92 105.19 106.69 1hgi n GLY 155 Ca 0.10 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.28 1hgi n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hgi n THR 156 N -3.28 0.84 -1.69 2.61 -2.24 0.67 -5.01 114.28 106.17 1hgi n THR 156 Ca -0.03 -0.92 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 1hgi n THR 156 Cb 0.24 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1hgi n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hgi n TYR 157 N 0.41 2.57 -3.50 4.78 4.19 -0.81 -4.95 117.16 119.84 1hgi n TYR 157 Ca 0.09 0.02 -0.42 0.00 3.31 0.00 0.00 57.90 60.90 1hgi n TYR 157 Cb 0.38 -2.66 -0.10 0.00 0.49 0.00 0.00 39.34 37.45 1hgi n TYR 157 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1hgi s ASP 158 N 1.85 5.95 0.42 2.98 2.15 -1.26 -4.94 116.67 123.82 1hgi s ASP 158 Ca 0.80 -1.13 0.10 0.00 0.43 0.00 0.00 52.55 52.75 1hgi s ASP 158 Cb -0.55 -2.11 0.89 0.00 -0.30 0.00 0.00 42.92 40.86 1hgi s ASP 158 CO 0.37 -0.50 2.00 1.12 -0.17 0.00 0.00 175.17 177.98 1hgi h HIS 159 N 8.58 0.27 -0.92 -5.34 2.07 -1.92 -2.79 115.15 115.10 1hgi h HIS 159 Ca -0.26 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.24 1hgi h HIS 159 Cb 1.11 -0.08 -0.04 0.00 2.57 0.00 0.00 27.41 30.96 1hgi h HIS 159 CO 0.59 0.29 0.57 -0.44 -3.07 0.00 0.00 177.93 175.87 1hgi h ASP 160 N 0.27 1.10 -1.00 3.10 3.32 -1.96 0.20 116.42 121.45 1hgi h ASP 160 Ca 0.06 -0.06 0.25 0.00 0.02 0.00 0.00 57.03 57.31 1hgi h ASP 160 Cb 0.19 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 39.39 1hgi h ASP 160 CO 0.00 0.83 0.66 0.58 -1.72 0.00 0.00 179.24 179.60 1hgi h VAL 161 N 1.27 0.57 -0.01 -1.35 2.07 -1.93 -2.14 116.25 114.73 1hgi h VAL 161 Ca 0.33 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1hgi h VAL 161 Cb -0.07 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1hgi h VAL 161 CO -0.06 0.06 -0.06 -1.22 0.02 0.00 0.00 177.57 176.31 1hgi n TYR 162 N -4.53 0.00 -0.21 1.57 4.02 -0.08 -4.80 117.16 113.12 1hgi n TYR 162 Ca 0.23 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1hgi n TYR 162 Cb 0.85 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.28 1hgi n TYR 162 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1hgi h ARG 163 N 1.40 0.50 -0.19 -0.72 2.43 -0.46 0.40 114.38 117.73 1hgi h ARG 163 Ca 0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1hgi h ARG 163 Cb 0.33 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1hgi h ARG 163 CO 0.00 0.33 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.94 1hgi h ASP 164 N 0.51 0.48 0.24 -3.80 3.32 -1.87 0.19 116.42 115.49 1hgi h ASP 164 Ca 0.31 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1hgi h ASP 164 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1hgi h ASP 164 CO -0.26 0.84 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.91 1hgi h GLU 165 N 0.37 -0.31 0.32 3.56 4.81 -1.68 -2.05 114.58 119.61 1hgi h GLU 165 Ca 0.03 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1hgi h GLU 165 Cb 0.89 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1hgi h GLU 165 CO 0.07 -0.11 -0.27 0.00 -0.73 0.00 0.00 179.01 177.97 1hgi h ALA 166 N 0.29 -0.60 -0.67 2.92 0.00 -0.61 -2.25 119.26 118.33 1hgi h ALA 166 Ca -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hgi h ALA 166 Cb 0.34 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1hgi h ALA 166 CO 0.05 -0.86 0.41 -0.07 0.00 0.00 0.00 179.25 178.78 1hgi h LEU 167 N -0.61 0.80 0.02 0.00 3.38 -0.63 0.19 115.31 118.46 1hgi h LEU 167 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1hgi h LEU 167 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1hgi h LEU 167 CO -0.02 0.61 -0.01 -1.13 0.09 0.00 0.00 178.44 177.98 1hgi h ASN 168 N 0.93 -0.02 -0.72 -0.43 -0.73 -1.22 -0.39 115.58 113.00 1hgi h ASN 168 Ca 0.24 -0.07 0.01 0.00 1.87 0.00 0.00 56.30 58.35 1hgi h ASN 168 Cb -0.05 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.51 1hgi h ASN 168 CO -0.05 0.06 0.47 0.78 -0.37 0.00 0.00 177.43 178.33 1hgi h ASN 169 N -0.10 0.81 0.10 1.15 2.35 -0.76 -2.94 115.58 116.18 1hgi h ASN 169 Ca -0.00 -0.02 -0.24 0.00 -0.55 0.00 0.00 56.30 55.49 1hgi h ASN 169 Cb 0.09 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.29 1hgi h ASN 169 CO 0.00 0.58 -1.02 -0.09 -1.65 0.00 0.00 177.43 175.25 1hgi h ARG 170 N 0.95 0.50 0.00 0.81 2.43 -0.43 -3.42 114.38 115.23 1hgi h ARG 170 Ca 0.27 -0.68 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1hgi h ARG 170 Cb -0.07 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1hgi h ARG 170 CO -0.07 1.29 0.00 1.19 -1.51 0.00 0.00 179.97 180.87 1hgi n PHE 171 N -3.96 0.00 -0.00 2.20 3.72 -0.17 -4.86 117.46 114.38 1hgi n PHE 171 Ca -0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1hgi n PHE 171 Cb 0.89 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.42 1hgi n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hgi n GLN 172 N -1.56 -0.00 0.00 -1.08 6.02 -1.11 -4.46 117.38 115.19 1hgi n GLN 172 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1hgi n GLN 172 Cb 0.00 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.17 1hgi n GLN 172 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1hgi n ILE 173 N -2.31 0.00 -1.65 5.09 2.08 -1.25 -3.02 119.36 118.30 1hgi n ILE 173 Ca 0.00 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.31 1hgi n ILE 173 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1hgi n ILE 173 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1hgi n LYS 174 N 0.00 0.00 0.00 0.38 2.85 -1.26 -5.19 118.16 114.94 1hgi n LYS 174 Ca 0.00 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1hgi n LYS 174 Cb 0.00 0.04 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 1hgi n LYS 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76