#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4z n ASP 3 N -2.53 -0.09 -0.02 0.00 -0.08 -1.26 -5.04 116.55 107.54 3g4z n ASP 3 Ca -0.21 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.91 3g4z n ASP 3 Cb 0.90 -0.02 -0.14 0.00 2.34 0.00 0.00 41.12 44.20 3g4z n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3g4z h LEU 4 N 0.00 0.21 -9.95 -2.67 5.85 -2.01 -3.46 115.31 103.28 3g4z h LEU 4 Ca 0.00 -0.97 -0.49 0.00 0.84 0.00 0.00 57.88 57.26 3g4z h LEU 4 Cb 0.04 -0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.04 3g4z h LEU 4 CO 0.00 1.19 0.44 -2.16 -0.34 0.00 0.00 178.44 177.57 3g4z s PRO 5 N -2.32 4.11 0.06 5.25 0.04 -1.26 -5.11 135.00 135.78 3g4z s PRO 5 Ca -0.17 1.63 0.22 0.00 0.04 0.00 0.00 61.00 62.73 3g4z s PRO 5 Cb -0.01 -2.59 -0.17 0.00 0.04 0.00 0.00 34.50 31.77 3g4z s PRO 5 CO 0.75 -0.21 0.75 0.00 0.04 0.00 0.00 177.00 178.33 3g4z n GLY 7 N 1.25 0.83 3.30 0.00 0.00 -1.26 -4.98 105.19 104.33 3g4z n GLY 7 Ca -0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 3g4z n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4z s VAL 8 N -2.60 3.97 0.04 1.61 0.11 -1.26 -4.92 120.40 117.36 3g4z s VAL 8 Ca 0.00 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.01 3g4z s VAL 8 Cb 0.00 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.59 3g4z s VAL 8 CO 0.00 -0.19 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.14 3g4z s PHE 9 N 1.44 0.69 -0.30 1.54 0.40 -1.26 0.74 117.98 121.23 3g4z s PHE 9 Ca -0.01 -0.51 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 3g4z s PHE 9 Cb -0.19 -0.41 0.13 0.00 0.51 0.00 0.00 43.02 43.05 3g4z s PHE 9 CO 0.04 -0.08 0.65 0.34 0.70 0.00 0.00 175.22 176.86 3g4z s ASP 10 N -1.62 -1.13 0.00 1.36 -1.08 -1.26 -5.01 116.67 107.93 3g4z s ASP 10 Ca -0.09 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 53.51 3g4z s ASP 10 Cb -0.10 2.27 0.01 0.00 -1.46 0.00 0.00 42.92 43.65 3g4z s ASP 10 CO 0.00 -0.22 0.95 -2.65 0.52 0.00 0.00 175.17 173.78 3g4z n PRO 11 N 5.43 0.00 0.27 4.34 -0.02 -1.26 -1.75 135.00 142.01 3g4z n PRO 11 Ca -0.12 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3g4z n PRO 11 Cb 0.49 -1.50 0.69 0.00 -0.02 0.00 0.00 33.50 33.16 3g4z n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4z h ALA 12 N 2.01 1.92 -0.39 3.55 0.00 -1.98 -0.98 119.26 123.38 3g4z h ALA 12 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3g4z h ALA 12 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g4z h ALA 12 CO 0.00 -0.00 0.16 1.96 0.00 0.00 0.00 179.25 181.37 3g4z h GLN 13 N 0.00 0.59 -0.53 0.00 4.20 -1.77 -0.44 115.11 117.15 3g4z h GLN 13 Ca 0.00 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 3g4z h GLN 13 Cb 0.01 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3g4z h GLN 13 CO -0.00 0.56 0.15 0.00 -0.67 0.00 0.00 178.83 178.87 3g4z h ALA 14 N 1.00 0.70 -0.08 3.87 0.00 -1.61 -3.05 119.26 120.09 3g4z h ALA 14 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3g4z h ALA 14 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3g4z h ALA 14 CO -0.01 0.37 -0.15 -0.09 0.00 0.00 0.00 179.25 179.38 3g4z h ARG 15 N 0.74 -0.19 -0.44 0.00 2.43 -0.95 -0.73 114.38 115.24 3g4z h ARG 15 Ca 0.17 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3g4z h ARG 15 Cb 0.30 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3g4z h ARG 15 CO -0.00 -0.13 0.27 0.82 -1.51 0.00 0.00 179.97 179.42 3g4z h ILE 16 N -0.20 1.13 -0.85 1.20 2.04 -1.09 0.35 117.51 120.09 3g4z h ILE 16 Ca 0.08 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3g4z h ILE 16 Cb 0.31 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3g4z h ILE 16 CO -0.20 0.13 0.46 -0.33 0.00 0.00 0.00 178.15 178.21 3g4z h GLU 17 N 0.58 1.19 -0.16 2.37 4.39 -1.41 -1.66 114.58 119.89 3g4z h GLU 17 Ca 0.16 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3g4z h GLU 17 Cb -0.02 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3g4z h GLU 17 CO -0.03 0.89 -0.37 0.00 -1.16 0.00 0.00 179.01 178.34 3g4z h ALA 18 N 1.24 1.09 -0.85 3.43 0.00 -0.36 -1.68 119.26 122.13 3g4z h ALA 18 Ca 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3g4z h ALA 18 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3g4z h ALA 18 CO -0.05 0.58 0.45 0.93 0.00 0.00 0.00 179.25 181.16 3g4z h GLU 19 N 0.29 1.20 -0.91 0.00 5.08 0.00 -1.81 114.58 118.43 3g4z h GLU 19 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3g4z h GLU 19 Cb 0.78 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3g4z h GLU 19 CO 0.06 0.89 0.58 0.77 -1.00 0.00 0.00 179.01 180.32 3g4z h SER 20 N 1.20 1.07 -0.11 1.42 0.02 -0.80 -0.09 113.55 116.25 3g4z h SER 20 Ca 0.30 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3g4z h SER 20 Cb 0.06 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3g4z h SER 20 CO -0.04 0.80 -0.06 0.58 -1.14 0.00 0.00 176.83 176.96 3g4z h VAL 21 N 1.25 0.80 -0.62 2.27 2.07 -0.91 0.59 116.25 121.70 3g4z h VAL 21 Ca 0.33 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.76 3g4z h VAL 21 Cb -0.10 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3g4z h VAL 21 CO -0.07 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.06 3g4z h LYS 22 N -0.06 1.07 -0.64 1.57 3.64 -0.99 -1.12 116.57 120.04 3g4z h LYS 22 Ca 0.07 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3g4z h LYS 22 Cb 0.16 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3g4z h LYS 22 CO -0.15 1.03 0.36 0.00 -2.27 0.00 0.00 179.45 178.42 3g4z h ALA 23 N 1.00 0.82 -0.43 5.00 0.00 -0.71 -0.89 119.26 124.05 3g4z h ALA 23 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g4z h ALA 23 Cb 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3g4z h ALA 23 CO 0.02 0.32 0.28 0.28 0.00 0.00 0.00 179.25 180.16 3g4z h VAL 24 N 0.87 1.10 -0.67 0.00 2.07 -0.49 -1.37 116.25 117.75 3g4z h VAL 24 Ca 0.23 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3g4z h VAL 24 Cb 0.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3g4z h VAL 24 CO -0.04 0.11 0.42 1.56 0.02 0.00 0.00 177.57 179.64 3g4z h GLN 25 N 0.58 0.82 -0.69 1.57 4.20 -0.63 0.29 115.11 121.24 3g4z h GLN 25 Ca 0.16 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3g4z h GLN 25 Cb -0.06 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3g4z h GLN 25 CO -0.04 0.54 0.15 0.93 -0.67 0.00 0.00 178.83 179.74 3g4z h GLU 26 N 0.84 1.12 -0.16 1.46 5.08 -1.01 -2.58 114.58 119.33 3g4z h GLU 26 Ca 0.26 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3g4z h GLU 26 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3g4z h GLU 26 CO -0.09 1.00 -0.15 0.87 -1.00 0.00 0.00 179.01 179.64 3g4z h LYS 27 N 1.05 0.26 0.00 2.33 1.57 -0.09 -2.48 116.57 119.21 3g4z h LYS 27 Ca 0.22 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3g4z h LYS 27 Cb 0.39 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3g4z h LYS 27 CO 0.01 0.41 -0.05 0.52 -0.57 0.00 0.00 179.45 179.76 3g4z h MET 28 N 0.24 0.00 0.00 3.15 2.86 -0.57 -2.31 114.93 118.31 3g4z h MET 28 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3g4z h MET 28 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3g4z h MET 28 CO 0.02 0.05 0.00 0.00 1.06 0.00 0.00 176.91 178.05 3g4z h ALA 29 N 1.95 1.00 -0.22 6.32 0.00 -1.45 -3.33 119.26 123.53 3g4z h ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g4z h ALA 29 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3g4z h ALA 29 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3g4z n GLY 30 N 0.20 2.98 3.02 0.00 0.00 -0.87 -4.89 105.19 105.63 3g4z n GLY 30 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 3g4z n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g4z s ASN 31 N -1.11 -0.51 0.00 1.61 3.84 -1.24 -5.03 114.94 112.50 3g4z s ASN 31 Ca 0.17 -0.06 0.15 0.00 0.21 0.00 0.00 52.86 53.34 3g4z s ASN 31 Cb 0.10 1.53 0.67 0.00 -0.55 0.00 0.00 41.25 42.99 3g4z s ASN 31 CO 0.10 -0.32 1.47 -0.90 -2.79 0.00 0.00 177.10 174.65 3g4z n ASP 32 N 5.38 1.01 -4.67 -4.21 3.85 -1.26 -4.61 116.55 112.04 3g4z n ASP 32 Ca 0.02 -1.72 -0.46 0.00 -0.71 0.00 0.00 54.79 51.92 3g4z n ASP 32 Cb 0.51 -0.09 -0.04 0.00 -1.35 0.00 0.00 41.12 40.15 3g4z n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3g4z n ASP 33 N -0.06 3.29 -0.37 -1.12 2.03 -1.26 -4.87 116.55 114.19 3g4z n ASP 33 Ca 0.13 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.48 3g4z n ASP 33 Cb 0.20 -1.42 0.14 0.00 -0.72 0.00 0.00 41.12 39.33 3g4z n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g4z h PRO 34 N 7.17 1.23 -0.33 -0.67 0.11 -1.99 -0.91 132.00 136.61 3g4z h PRO 34 Ca -0.46 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3g4z h PRO 34 Cb 1.26 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3g4z h PRO 34 CO 0.91 0.82 0.05 1.25 -0.21 0.00 0.00 178.00 180.82 3g4z h HIS 35 N 1.27 0.59 -0.82 0.65 -0.00 -1.98 -1.16 115.15 113.70 3g4z h HIS 35 Ca 0.40 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.71 3g4z h HIS 35 Cb 0.01 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 3g4z h HIS 35 CO -0.00 0.62 0.53 0.35 -0.00 0.00 0.00 177.93 179.43 3g4z h PHE 36 N 0.39 1.00 -0.55 5.26 3.04 -1.81 -0.79 116.94 123.49 3g4z h PHE 36 Ca 0.10 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 3g4z h PHE 36 Cb 0.35 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3g4z h PHE 36 CO 0.02 0.60 0.01 1.96 -2.02 0.00 0.00 178.31 178.88 3g4z h GLN 37 N 1.06 0.97 -0.11 1.11 1.08 -0.96 0.48 115.11 118.74 3g4z h GLN 37 Ca 0.32 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3g4z h GLN 37 Cb -0.05 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 3g4z h GLN 37 CO -0.09 0.97 0.03 1.15 -0.95 0.00 0.00 178.83 179.94 3g4z h THR 38 N 0.85 1.18 -0.78 -0.54 2.02 -0.87 -0.50 112.91 114.27 3g4z h THR 38 Ca 0.16 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3g4z h THR 38 Cb 0.53 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3g4z h THR 38 CO 0.03 0.16 0.37 0.03 0.37 0.00 0.00 175.52 176.47 3g4z h ARG 39 N -0.01 1.12 -0.59 6.66 3.08 -0.96 -0.40 114.38 123.28 3g4z h ARG 39 Ca 0.03 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3g4z h ARG 39 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3g4z h ARG 39 CO -0.00 0.86 0.18 0.00 -1.07 0.00 0.00 179.97 179.95 3g4z h ALA 40 N 1.29 0.77 -0.59 0.04 0.00 -0.69 -0.84 119.26 119.24 3g4z h ALA 40 Ca 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g4z h ALA 40 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3g4z h ALA 40 CO -0.03 0.44 0.24 1.15 0.00 0.00 0.00 179.25 181.04 3g4z h THR 41 N 0.83 1.23 -0.14 0.00 2.02 -0.60 -0.26 112.91 115.99 3g4z h THR 41 Ca 0.19 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3g4z h THR 41 Cb 0.29 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3g4z h THR 41 CO -0.01 0.28 0.08 0.58 0.37 0.00 0.00 175.52 176.82 3g4z h VAL 42 N 0.82 1.01 -0.48 3.16 2.07 -0.77 -1.89 116.25 120.17 3g4z h VAL 42 Ca 0.20 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.54 3g4z h VAL 42 Cb 0.20 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3g4z h VAL 42 CO -0.02 0.03 -0.16 0.40 0.02 0.00 0.00 177.57 177.84 3g4z h ILE 43 N 0.17 1.27 -0.71 4.57 2.04 -1.05 -2.47 117.51 121.34 3g4z h ILE 43 Ca 0.06 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3g4z h ILE 43 Cb -0.00 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3g4z h ILE 43 CO -0.03 0.45 0.44 0.50 0.00 0.00 0.00 178.15 179.51 3g4z h LYS 44 N 0.80 0.82 -0.27 2.37 3.64 -0.95 0.47 116.57 123.45 3g4z h LYS 44 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3g4z h LYS 44 Cb 0.73 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3g4z h LYS 44 CO 0.06 0.54 0.18 1.49 -2.27 0.00 0.00 179.45 179.45 3g4z h GLU 45 N 0.84 0.36 0.34 1.90 4.57 -1.15 0.23 114.58 121.67 3g4z h GLU 45 Ca 0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3g4z h GLU 45 Cb 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3g4z h GLU 45 CO -0.12 0.25 -0.16 1.96 -1.18 0.00 0.00 179.01 179.75 3g4z h GLN 46 N 0.37 -0.44 -0.22 1.92 4.20 -1.04 -1.80 115.11 118.10 3g4z h GLN 46 Ca 0.10 0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3g4z h GLN 46 Cb -0.03 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3g4z h GLN 46 CO -0.02 -0.27 -0.26 0.00 -0.67 0.00 0.00 178.83 177.62 3g4z h ARG 47 N -0.50 0.41 -0.64 1.46 2.47 -0.79 -1.69 114.38 115.10 3g4z h ARG 47 Ca -0.05 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.45 3g4z h ARG 47 Cb 0.38 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 3g4z h ARG 47 CO 0.08 0.64 0.12 0.00 0.56 0.00 0.00 179.97 181.36 3g4z h ALA 48 N 1.37 0.99 -0.42 0.04 0.00 -0.87 -1.17 119.26 119.20 3g4z h ALA 48 Ca 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3g4z h ALA 48 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3g4z h ALA 48 CO 0.05 0.64 -0.20 1.49 0.00 0.00 0.00 179.25 181.23 3g4z h GLU 49 N 0.98 0.82 -0.49 0.00 4.57 -1.00 -0.87 114.58 118.59 3g4z h GLU 49 Ca 0.20 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3g4z h GLU 49 Cb 0.40 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3g4z h GLU 49 CO 0.01 0.95 0.27 -0.07 -1.18 0.00 0.00 179.01 178.99 3g4z h LEU 50 N 0.72 0.61 -0.91 1.64 3.38 -1.02 -0.93 115.31 118.80 3g4z h LEU 50 Ca 0.10 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g4z h LEU 50 Cb 0.72 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3g4z h LEU 50 CO 0.06 0.53 0.60 0.00 0.09 0.00 0.00 178.44 179.72 3g4z h ALA 51 N 1.11 1.17 -0.45 1.53 0.00 -0.96 -1.64 119.26 120.03 3g4z h ALA 51 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3g4z h ALA 51 Cb 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3g4z h ALA 51 CO -0.03 0.53 0.15 0.87 0.00 0.00 0.00 179.25 180.77 3g4z h LYS 52 N 1.21 0.69 -0.39 0.00 1.57 -0.76 -1.22 116.57 117.67 3g4z h LYS 52 Ca 0.34 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 3g4z h LYS 52 Cb -0.10 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 3g4z h LYS 52 CO -0.09 0.66 0.11 1.25 -0.57 0.00 0.00 179.45 180.81 3g4z h HIS 53 N 0.59 0.18 -0.91 -1.35 2.76 -0.81 0.23 115.15 115.83 3g4z h HIS 53 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3g4z h HIS 53 Cb 0.25 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3g4z h HIS 53 CO 0.01 0.05 0.51 0.45 -1.30 0.00 0.00 177.93 177.65 3g4z h HIS 54 N 0.25 1.24 -0.24 5.26 3.86 -0.93 0.83 115.15 125.41 3g4z h HIS 54 Ca 0.19 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 3g4z h HIS 54 Cb 0.20 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 3g4z h HIS 54 CO -0.17 0.84 -0.24 0.28 0.86 0.00 0.00 177.93 179.50 3g4z h VAL 55 N 1.27 1.32 -0.48 2.45 2.07 -0.67 -2.29 116.25 119.91 3g4z h VAL 55 Ca 0.32 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3g4z h VAL 55 Cb 0.00 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3g4z h VAL 55 CO -0.05 0.44 0.31 -1.28 0.02 0.00 0.00 177.57 177.00 3g4z h SER 56 N 0.28 0.57 -0.68 0.57 0.87 -0.15 -2.58 113.55 112.42 3g4z h SER 56 Ca 0.04 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3g4z h SER 56 Cb 0.79 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 3g4z h SER 56 CO 0.06 0.44 0.40 0.58 -0.53 0.00 0.00 176.83 177.77 3g4z h VAL 57 N 0.65 1.01 -0.35 2.23 2.07 -0.79 0.24 116.25 121.30 3g4z h VAL 57 Ca 0.18 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3g4z h VAL 57 Cb -0.04 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 3g4z h VAL 57 CO -0.04 0.14 -0.06 -0.07 0.02 0.00 0.00 177.57 177.56 3g4z h LEU 58 N 0.75 -0.27 -0.41 2.57 3.38 -1.14 0.16 115.31 120.35 3g4z h LEU 58 Ca 0.30 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 3g4z h LEU 58 Cb 0.14 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3g4z h LEU 58 CO -0.16 -0.09 0.04 -0.25 0.09 0.00 0.00 178.44 178.07 3g4z h TRP 59 N 0.03 0.75 0.15 1.13 7.01 -1.01 0.14 115.95 124.15 3g4z h TRP 59 Ca 0.17 -0.12 -0.31 0.00 2.11 0.00 0.00 58.89 60.75 3g4z h TRP 59 Cb 0.25 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3g4z h TRP 59 CO -0.30 0.74 -1.46 0.66 -2.79 0.00 0.00 178.44 175.30 3g4z h SER 60 N 0.54 0.49 0.00 2.65 4.64 -0.87 -3.36 113.55 117.64 3g4z h SER 60 Ca 0.12 -0.60 -0.30 0.00 -0.47 0.00 0.00 61.79 60.54 3g4z h SER 60 Cb 0.42 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 3g4z h SER 60 CO 0.01 1.49 -2.15 0.47 -0.87 0.00 0.00 176.83 175.79 3g4z n ASP 61 N -3.52 1.00 -0.09 4.97 9.92 0.55 -4.75 116.55 124.63 3g4z n ASP 61 Ca -0.15 -0.01 -0.12 0.00 -0.53 0.00 0.00 54.79 53.98 3g4z n ASP 61 Cb 1.05 0.82 -0.05 0.00 -0.64 0.00 0.00 41.12 42.30 3g4z n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4z n TYR 62 N -2.65 0.53 -2.11 1.24 9.36 -0.13 -4.96 117.16 118.43 3g4z n TYR 62 Ca -0.28 0.23 -0.40 0.00 3.32 0.00 0.00 57.90 60.78 3g4z n TYR 62 Cb 1.03 -0.77 -0.01 0.00 -0.63 0.00 0.00 39.34 38.96 3g4z n TYR 62 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3g4z s PHE 63 N -2.51 2.94 0.22 2.98 0.40 -0.23 -5.03 117.98 116.75 3g4z s PHE 63 Ca -0.25 1.44 0.05 0.00 -0.60 0.00 0.00 56.93 57.57 3g4z s PHE 63 Cb 0.05 -3.62 -0.05 0.00 0.51 0.00 0.00 43.02 39.91 3g4z s PHE 63 CO 0.38 -1.88 -0.06 0.15 0.70 0.00 0.00 175.22 174.51 3g4z s LYS 64 N -2.10 1.31 0.30 0.44 -0.14 -1.26 -4.76 119.74 113.52 3g4z s LYS 64 Ca 0.54 -1.63 0.03 0.00 -1.36 0.00 0.00 55.97 53.55 3g4z s LYS 64 Cb -0.37 -0.81 0.75 0.00 -1.68 0.00 0.00 37.83 35.72 3g4z s LYS 64 CO 0.48 0.02 1.62 -1.35 -0.76 0.00 0.00 175.35 175.36 3g4z h PRO 65 N 2.52 0.12 0.00 -1.68 0.11 -1.99 0.29 132.00 131.37 3g4z h PRO 65 Ca -0.38 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3g4z h PRO 65 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3g4z h PRO 65 CO 0.64 0.08 -0.19 -1.00 -0.21 0.00 0.00 178.00 177.32 3g4z h PRO 66 N 0.12 0.00 -0.38 1.05 0.13 -1.99 0.90 132.00 131.83 3g4z h PRO 66 Ca 0.58 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.55 3g4z h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3g4z h PRO 66 CO -0.75 0.19 -0.38 0.45 -0.23 0.00 0.00 178.00 177.28 3g4z h HIS 67 N 0.00 1.11 -0.06 1.56 3.86 -0.86 -1.01 115.15 119.75 3g4z h HIS 67 Ca -0.00 -0.33 -0.12 0.00 -1.16 0.00 0.00 60.37 58.75 3g4z h HIS 67 Cb 0.44 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3g4z h HIS 67 CO 0.00 1.16 -0.53 0.74 0.86 0.00 0.00 177.93 180.16 3g4z h PHE 68 N 0.74 0.19 0.19 2.45 -1.00 -0.34 -0.17 116.94 119.00 3g4z h PHE 68 Ca 0.06 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3g4z h PHE 68 Cb 0.98 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 3g4z h PHE 68 CO 0.06 0.65 -0.12 0.93 -1.61 0.00 0.00 178.31 178.22 3g4z h GLU 69 N 0.12 -0.29 -0.04 1.51 5.08 -0.78 -3.08 114.58 117.09 3g4z h GLU 69 Ca 0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3g4z h GLU 69 Cb 0.97 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3g4z h GLU 69 CO 0.08 -0.20 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.26 3g4z h LYS 70 N -0.30 0.08 -3.03 2.33 3.64 -0.94 -3.36 116.57 114.99 3g4z h LYS 70 Ca -0.02 -0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.71 3g4z h LYS 70 Cb 0.25 -0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.66 3g4z h LYS 70 CO 0.02 0.48 -0.67 0.71 -2.27 0.00 0.00 179.45 177.72 3g4z s TYR 71 N -4.12 2.82 0.17 1.91 1.51 -0.10 -4.95 117.35 114.59 3g4z s TYR 71 Ca -0.03 -2.98 0.34 0.00 -1.01 0.00 0.00 57.07 53.39 3g4z s TYR 71 Cb 0.14 -2.31 1.66 0.00 -0.11 0.00 0.00 41.96 41.34 3g4z s TYR 71 CO 0.75 -0.67 2.04 -1.00 -1.11 0.00 0.00 175.55 175.55 3g4z h PRO 72 N 5.93 0.00 -0.18 -1.71 0.13 -1.70 -1.64 132.00 132.84 3g4z h PRO 72 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3g4z h PRO 72 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3g4z h PRO 72 CO 0.62 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 3g4z n GLU 73 N -2.84 1.92 0.04 0.86 0.00 -1.26 -4.46 120.64 114.91 3g4z n GLU 73 Ca -0.01 -1.38 -0.12 0.00 0.00 0.00 0.00 57.16 55.65 3g4z n GLU 73 Cb 0.17 -1.44 -0.08 0.00 0.00 0.00 0.00 31.44 30.10 3g4z n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3g4z h LEU 74 N 2.88 -0.04 -0.52 -1.84 5.85 -1.62 -0.16 115.31 119.86 3g4z h LEU 74 Ca 0.00 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.70 3g4z h LEU 74 Cb 0.63 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 3g4z h LEU 74 CO 0.00 0.10 -0.22 0.45 -0.34 0.00 0.00 178.44 178.43 3g4z h HIS 75 N -0.18 -0.54 -0.44 1.25 3.86 -1.80 0.44 115.15 117.74 3g4z h HIS 75 Ca -0.00 0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 3g4z h HIS 75 Cb 0.16 0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3g4z h HIS 75 CO -0.03 -0.30 -0.24 0.37 0.86 0.00 0.00 177.93 178.59 3g4z h GLN 76 N -0.09 0.91 -0.67 2.45 5.75 -1.83 -1.10 115.11 120.52 3g4z h GLN 76 Ca 0.24 -0.39 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3g4z h GLN 76 Cb 0.47 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3g4z h GLN 76 CO -0.58 1.05 0.39 1.25 -2.65 0.00 0.00 178.83 178.29 3g4z h LEU 77 N 0.79 0.61 -0.32 -2.39 5.85 -0.61 0.21 115.31 119.45 3g4z h LEU 77 Ca 0.10 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3g4z h LEU 77 Cb 0.80 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g4z h LEU 77 CO 0.07 0.41 -0.21 0.58 -0.34 0.00 0.00 178.44 178.95 3g4z h VAL 78 N 0.75 1.29 -0.41 1.05 2.07 -0.67 -1.25 116.25 119.08 3g4z h VAL 78 Ca 0.28 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3g4z h VAL 78 Cb 0.11 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3g4z h VAL 78 CO -0.15 0.44 0.23 -1.13 0.02 0.00 0.00 177.57 176.99 3g4z h ASN 79 N 0.47 0.37 -0.47 0.57 -0.73 -0.87 -1.71 115.58 113.21 3g4z h ASN 79 Ca 0.06 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3g4z h ASN 79 Cb 0.76 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 3g4z h ASN 79 CO 0.06 0.27 0.26 0.44 -0.37 0.00 0.00 177.43 178.08 3g4z h ASP 80 N 0.47 0.61 -0.26 1.15 3.32 -0.43 -1.60 116.42 119.69 3g4z h ASP 80 Ca 0.17 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3g4z h ASP 80 Cb 0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3g4z h ASP 80 CO -0.09 0.51 -0.01 0.74 -1.72 0.00 0.00 179.24 178.67 3g4z h THR 81 N 0.69 1.26 -0.70 0.35 2.02 -0.86 0.30 112.91 115.97 3g4z h THR 81 Ca 0.18 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3g4z h THR 81 Cb 0.04 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3g4z h THR 81 CO -0.03 0.29 0.45 -0.07 0.37 0.00 0.00 175.52 176.53 3g4z h LEU 82 N 0.24 0.83 -0.72 2.58 3.38 -1.05 -0.08 115.31 120.49 3g4z h LEU 82 Ca 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3g4z h LEU 82 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3g4z h LEU 82 CO 0.01 0.62 -0.08 0.11 0.09 0.00 0.00 178.44 179.20 3g4z h LYS 83 N 0.96 0.91 -0.79 1.13 1.57 -1.14 -0.27 116.57 118.94 3g4z h LYS 83 Ca 0.26 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3g4z h LYS 83 Cb -0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3g4z h LYS 83 CO -0.05 0.95 0.44 0.00 -0.57 0.00 0.00 179.45 180.22 3g4z h ALA 84 N 1.09 1.01 -0.63 3.86 0.00 0.02 0.55 119.26 125.15 3g4z h ALA 84 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3g4z h ALA 84 Cb 0.59 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3g4z h ALA 84 CO 0.04 0.51 0.36 -0.07 0.00 0.00 0.00 179.25 180.08 3g4z h LEU 85 N 1.09 0.78 -1.03 0.00 3.38 -0.64 -0.62 115.31 118.26 3g4z h LEU 85 Ca 0.28 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3g4z h LEU 85 Cb 0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3g4z h LEU 85 CO -0.05 0.64 0.37 0.28 0.09 0.00 0.00 178.44 179.77 3g4z h SER 86 N 0.86 0.95 -0.66 -0.43 0.02 -0.70 0.10 113.55 113.69 3g4z h SER 86 Ca 0.22 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3g4z h SER 86 Cb 0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3g4z h SER 86 CO -0.04 0.79 0.32 0.00 -1.14 0.00 0.00 176.83 176.77 3g4z h ALA 87 N 1.35 0.85 -0.67 3.77 0.00 -0.54 -1.89 119.26 122.14 3g4z h ALA 87 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g4z h ALA 87 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3g4z h ALA 87 CO -0.04 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.03 3g4z h ALA 88 N 1.15 0.85 -0.78 0.00 0.00 -0.84 -2.54 119.26 117.10 3g4z h ALA 88 Ca 0.23 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3g4z h ALA 88 Cb 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.52 3g4z h ALA 88 CO -0.03 0.33 0.30 0.87 0.00 0.00 0.00 179.25 180.72 3g4z h LYS 89 N 0.91 0.40 -0.16 0.00 1.57 -0.53 -2.32 116.57 116.45 3g4z h LYS 89 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3g4z h LYS 89 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3g4z h LYS 89 CO -0.05 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 3g4z n GLY 90 N -1.33 -0.12 3.05 3.86 0.00 -0.73 -4.82 105.19 105.10 3g4z n GLY 90 Ca 0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3g4z n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4z s SER 91 N -1.29 0.65 0.00 1.61 0.15 -0.87 -5.02 113.70 108.93 3g4z s SER 91 Ca 0.22 -0.61 0.23 0.00 0.70 0.00 0.00 55.95 56.50 3g4z s SER 91 Cb 0.11 0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.57 3g4z s SER 91 CO 0.17 -0.29 1.12 0.29 1.20 0.00 0.00 173.24 175.73 3g4z n LYS 92 N 1.28 0.37 -2.42 5.44 5.02 -1.26 -4.89 118.16 121.70 3g4z n LYS 92 Ca -0.22 -0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 55.36 3g4z n LYS 92 Cb 0.56 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3g4z n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g4z s ASP 93 N -2.83 6.58 0.60 4.39 -1.08 -1.26 -4.62 116.67 118.44 3g4z s ASP 93 Ca 0.13 1.05 0.33 0.00 -0.52 0.00 0.00 52.55 53.53 3g4z s ASP 93 Cb 0.17 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.87 3g4z s ASP 93 CO 0.73 -1.19 1.99 -0.65 0.52 0.00 0.00 175.17 176.57 3g4z h PRO 94 N 9.68 0.00 -0.04 4.34 0.11 -1.88 0.07 132.00 144.27 3g4z h PRO 94 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3g4z h PRO 94 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3g4z h PRO 94 CO 1.05 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.67 3g4z h ALA 95 N 1.63 1.63 -0.24 -0.75 0.00 -1.97 -0.21 119.26 119.36 3g4z h ALA 95 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3g4z h ALA 95 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g4z h ALA 95 CO 0.00 0.28 -0.48 1.79 0.00 0.00 0.00 179.25 180.83 3g4z h THR 96 N 0.06 1.30 -0.53 0.00 1.35 -1.37 -1.06 112.91 112.67 3g4z h THR 96 Ca 0.01 -1.69 0.01 0.00 -0.55 0.00 0.00 66.41 64.19 3g4z h THR 96 Cb 0.35 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 3g4z h THR 96 CO 0.02 0.54 0.35 1.23 -0.25 0.00 0.00 175.52 177.41 3g4z h GLY 97 N 0.48 0.75 1.21 5.82 0.00 -1.52 -1.90 103.07 107.91 3g4z h GLY 97 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3g4z h GLY 97 CO 0.11 0.26 -0.01 -1.61 0.00 0.00 0.00 176.54 175.29 3g4z h GLN 98 N 0.71 0.94 -0.77 4.80 5.75 -0.97 -0.24 115.11 125.33 3g4z h GLN 98 Ca 0.20 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 3g4z h GLN 98 Cb -0.07 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 3g4z h GLN 98 CO -0.05 0.94 0.34 -0.22 -2.65 0.00 0.00 178.83 177.19 3g4z h LYS 99 N 0.87 1.12 -0.56 1.69 1.63 -0.89 -0.60 116.57 119.83 3g4z h LYS 99 Ca 0.16 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3g4z h LYS 99 Cb 0.52 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 3g4z h LYS 99 CO 0.03 0.89 0.34 0.00 -3.45 0.00 0.00 179.45 177.26 3g4z h ALA 100 N 1.17 0.72 -0.49 5.00 0.00 -0.77 -1.69 119.26 123.20 3g4z h ALA 100 Ca 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g4z h ALA 100 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3g4z h ALA 100 CO -0.03 0.19 0.30 -0.07 0.00 0.00 0.00 179.25 179.64 3g4z h LEU 101 N 0.76 0.57 -0.55 0.00 3.38 -0.48 -1.09 115.31 117.90 3g4z h LEU 101 Ca 0.20 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3g4z h LEU 101 Cb -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3g4z h LEU 101 CO -0.04 0.43 -0.50 0.44 0.09 0.00 0.00 178.44 178.87 3g4z h ASP 102 N 0.66 0.65 -0.20 -0.43 3.45 -0.42 -0.41 116.42 119.73 3g4z h ASP 102 Ca 0.18 -0.33 -0.03 0.00 0.43 0.00 0.00 57.03 57.28 3g4z h ASP 102 Cb -0.04 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3g4z h ASP 102 CO -0.03 1.04 0.02 1.88 -1.57 0.00 0.00 179.24 180.57 3g4z h TYR 103 N 0.47 0.37 -0.96 4.55 -1.99 -1.00 -2.75 116.97 115.65 3g4z h TYR 103 Ca 0.02 -0.06 0.05 0.00 2.00 0.00 0.00 58.73 60.74 3g4z h TYR 103 Cb 1.03 -0.10 -0.06 0.00 2.00 0.00 0.00 36.73 39.60 3g4z h TYR 103 CO 0.04 0.51 0.63 0.82 -0.00 0.00 0.00 178.16 180.17 3g4z h ILE 104 N 0.12 1.14 -0.63 -2.88 2.04 -1.00 -1.39 117.51 114.91 3g4z h ILE 104 Ca 0.06 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3g4z h ILE 104 Cb 0.35 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 3g4z h ILE 104 CO 0.01 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.79 3g4z h ALA 105 N 1.45 1.68 -0.52 1.87 0.00 -0.99 0.22 119.26 122.96 3g4z h ALA 105 Ca 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3g4z h ALA 105 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3g4z h ALA 105 CO -0.13 0.25 0.05 1.96 0.00 0.00 0.00 179.25 181.38 3g4z h GLN 106 N 0.73 0.88 -0.74 0.00 4.20 -0.99 -2.18 115.11 117.01 3g4z h GLN 106 Ca 0.25 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3g4z h GLN 106 Cb 0.10 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3g4z h GLN 106 CO -0.07 0.88 0.24 0.82 -0.67 0.00 0.00 178.83 180.03 3g4z h ILE 107 N 0.76 1.26 -0.76 2.54 2.04 -0.51 -2.85 117.51 120.00 3g4z h ILE 107 Ca 0.15 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3g4z h ILE 107 Cb 0.46 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3g4z h ILE 107 CO 0.02 0.35 0.35 -0.78 0.00 0.00 0.00 178.15 178.09 3g4z h ASP 108 N 1.09 0.99 0.14 1.72 3.58 -0.32 0.14 116.42 123.75 3g4z h ASP 108 Ca 0.24 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3g4z h ASP 108 Cb 0.30 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3g4z h ASP 108 CO -0.01 0.84 -0.07 0.50 -2.88 0.00 0.00 179.24 177.62 3g4z h LYS 109 N 1.08 -0.18 -0.28 0.28 3.64 -1.32 -1.85 116.57 117.94 3g4z h LYS 109 Ca 0.26 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3g4z h LYS 109 Cb 0.12 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 3g4z h LYS 109 CO -0.03 0.17 -0.21 0.82 -2.27 0.00 0.00 179.45 177.93 3g4z h ILE 110 N -0.55 0.43 -0.49 2.00 2.04 -1.36 -0.90 117.51 118.68 3g4z h ILE 110 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3g4z h ILE 110 Cb 0.43 0.43 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 3g4z h ILE 110 CO 0.03 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 178.01 3g4z h PHE 111 N -0.19 -0.89 0.00 1.37 3.57 -0.58 -1.22 116.94 118.99 3g4z h PHE 111 Ca 0.15 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3g4z h PHE 111 Cb 0.43 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3g4z h PHE 111 CO -0.39 -0.38 -0.48 -1.49 -2.23 0.00 0.00 178.31 173.34 3g4z h TRP 112 N -0.20 0.00 -0.08 0.41 4.06 -0.83 -2.06 115.95 117.25 3g4z h TRP 112 Ca 0.20 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.16 3g4z h TRP 112 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 3g4z h TRP 112 CO -0.58 0.48 0.03 0.93 -3.56 0.00 0.00 178.44 175.75 3g4z h GLU 113 N 0.00 0.07 0.00 0.49 5.08 -0.31 -2.65 114.58 117.27 3g4z h GLU 113 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g4z h GLU 113 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3g4z h GLU 113 CO 0.06 0.05 0.00 1.79 -1.00 0.00 0.00 179.01 179.91 3g4z h THR 114 N 0.08 0.00 -0.00 1.13 1.35 -0.57 -0.29 112.91 114.60 3g4z h THR 114 Ca 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3g4z h THR 114 Cb 0.01 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3g4z h THR 114 CO -0.03 0.00 -0.23 0.29 -0.25 0.00 0.00 175.52 175.30 3g4z n LYS 115 N -3.03 0.39 0.00 4.72 4.76 -0.94 -3.13 118.16 120.93 3g4z n LYS 115 Ca -0.02 -0.17 0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3g4z n LYS 115 Cb 0.12 -1.50 0.58 0.00 -1.84 0.00 0.00 35.03 32.40 3g4z n LYS 115 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3g4z n LYS 116 N -1.16 0.06 0.00 1.97 4.81 -0.12 -5.10 118.16 118.62 3g4z n LYS 116 Ca 0.10 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3g4z n LYS 116 Cb 0.32 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3g4z n LYS 116 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57