#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4i h LEU 2 N 0.00 0.68 -0.59 0.00 5.85 -1.90 -2.74 115.31 116.61 1g4i h LEU 2 Ca 0.00 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1g4i h LEU 2 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1g4i h LEU 2 CO 0.00 0.99 0.27 -0.25 -0.34 0.00 0.00 178.44 179.11 1g4i h TRP 3 N 0.53 0.87 -0.35 1.25 7.01 -1.97 0.13 115.95 123.42 1g4i h TRP 3 Ca 0.05 -0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 1g4i h TRP 3 Cb 0.90 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 1g4i h TRP 3 CO 0.04 0.67 -0.27 1.96 -2.79 0.00 0.00 178.44 178.06 1g4i h GLN 4 N 0.81 0.80 -0.38 2.65 7.50 -1.94 -2.19 115.11 122.36 1g4i h GLN 4 Ca 0.20 -0.39 -0.00 0.00 0.50 0.00 0.00 58.65 58.96 1g4i h GLN 4 Cb 0.14 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 1g4i h GLN 4 CO -0.02 1.02 0.23 0.35 -1.50 0.00 0.00 178.83 178.90 1g4i h PHE 5 N 0.58 0.51 -0.76 2.96 3.57 -1.15 0.57 116.94 123.22 1g4i h PHE 5 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1g4i h PHE 5 Cb 0.83 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1g4i h PHE 5 CO 0.06 0.37 0.48 -0.97 -2.23 0.00 0.00 178.31 176.02 1g4i h ASN 6 N 0.50 0.79 -0.69 0.41 -0.73 -0.97 -0.70 115.58 114.17 1g4i h ASN 6 Ca 0.14 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1g4i h ASN 6 Cb 0.01 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 1g4i h ASN 6 CO -0.03 0.54 0.31 1.23 -0.37 0.00 0.00 177.43 179.11 1g4i h GLY 7 N 0.93 1.11 0.99 1.57 0.00 -0.72 -1.71 103.07 105.25 1g4i h GLY 7 Ca 0.31 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1g4i h GLY 7 CO -0.12 0.53 0.27 -0.33 0.00 0.00 0.00 176.54 176.89 1g4i h MET 8 N 1.02 0.86 -0.59 4.80 2.86 -0.19 0.09 114.93 123.78 1g4i h MET 8 Ca 0.24 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1g4i h MET 8 Cb 0.15 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1g4i h MET 8 CO -0.03 0.70 0.32 0.82 1.06 0.00 0.00 176.91 179.79 1g4i h ILE 9 N 0.80 1.20 -0.13 -1.22 2.04 -0.79 -1.81 117.51 117.60 1g4i h ILE 9 Ca 0.20 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1g4i h ILE 9 Cb 0.14 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1g4i h ILE 9 CO -0.02 0.21 -0.19 0.11 0.00 0.00 0.00 178.15 178.26 1g4i h LYS 10 N 0.81 0.22 -0.35 2.37 1.57 -1.10 0.18 116.57 120.27 1g4i h LYS 10 Ca 0.21 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1g4i h LYS 10 Cb 0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1g4i h LYS 10 CO -0.03 0.41 0.18 0.00 -0.57 0.00 0.00 179.45 179.44 1g4i h LYS 12 N 0.37 0.00 -2.57 0.00 1.79 -0.99 -3.40 116.57 111.77 1g4i h LYS 12 Ca 0.15 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.02 1g4i h LYS 12 Cb 0.05 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.30 1g4i h LYS 12 CO -0.10 0.71 -0.83 -0.89 -1.08 0.00 0.00 179.45 177.27 1g4i n ILE 13 N -3.24 -0.00 0.35 1.86 5.41 0.60 -4.90 119.36 119.43 1g4i n ILE 13 Ca -0.01 -4.06 0.11 0.00 1.00 0.00 0.00 62.75 59.79 1g4i n ILE 13 Cb 0.86 -1.88 0.50 0.00 -0.71 0.00 0.00 39.64 38.41 1g4i n ILE 13 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1g4i n PRO 14 N 2.31 0.18 0.00 0.38 -0.04 -1.04 -1.49 135.00 135.30 1g4i n PRO 14 Ca 0.26 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1g4i n PRO 14 Cb 0.44 -1.88 0.63 0.00 -0.04 0.00 0.00 33.50 32.64 1g4i n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1g4i n SER 15 N -2.22 0.10 -4.89 3.54 3.41 -1.26 -4.94 113.62 107.35 1g4i n SER 15 Ca 0.01 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 1g4i n SER 15 Cb 0.18 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 1g4i n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1g4i s SER 16 N -2.82 6.51 -0.61 4.04 1.04 -0.55 -5.05 113.70 116.26 1g4i s SER 16 Ca 0.20 0.65 -0.06 0.00 0.48 0.00 0.00 55.95 57.22 1g4i s SER 16 Cb 0.19 -2.12 0.16 0.00 0.10 0.00 0.00 66.02 64.36 1g4i s SER 16 CO 0.52 0.02 0.46 -0.70 0.98 0.00 0.00 173.24 174.52 1g4i s GLU 17 N -2.72 2.66 0.42 4.02 2.56 -1.26 -4.83 118.70 119.56 1g4i s GLU 17 Ca 0.42 -2.34 0.16 0.00 0.00 0.00 0.00 54.97 53.22 1g4i s GLU 17 Cb -0.12 -3.86 1.05 0.00 2.00 0.00 0.00 34.13 33.21 1g4i s GLU 17 CO 0.24 -1.19 1.89 -1.35 -0.56 0.00 0.00 175.26 174.30 1g4i h PRO 18 N 7.46 0.41 0.00 4.30 0.11 -1.95 0.17 132.00 142.49 1g4i h PRO 18 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1g4i h PRO 18 Cb 0.99 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1g4i h PRO 18 CO 0.74 0.27 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.55 1g4i h LEU 19 N 0.42 0.00 0.00 2.35 3.38 -1.95 0.25 115.31 119.76 1g4i h LEU 19 Ca 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.05 1g4i h LEU 19 Cb 0.97 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1g4i h LEU 19 CO -0.14 0.18 -2.00 0.18 0.09 0.00 0.00 178.44 176.75 1g4i n LEU 20 N -3.44 0.65 -0.06 1.67 4.77 -0.43 -4.10 117.00 116.06 1g4i n LEU 20 Ca -0.01 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1g4i n LEU 20 Cb 0.36 0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1g4i n LEU 20 CO 0.32 0.46 -0.86 0.47 -1.33 0.00 0.00 177.39 176.45 1g4i n ASP 21 N -2.95 0.68 0.00 -1.43 8.00 -0.08 -4.69 116.55 116.07 1g4i n ASP 21 Ca -0.24 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1g4i n ASP 21 Cb 1.09 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 1g4i n ASP 21 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1g4i n PHE 22 N -2.97 0.00 0.22 1.24 3.72 0.83 -4.79 117.46 115.72 1g4i n PHE 22 Ca -0.26 -0.19 0.12 0.00 -0.05 0.00 0.00 57.45 57.07 1g4i n PHE 22 Cb 1.09 -0.02 0.25 0.00 -0.94 0.00 0.00 39.48 39.87 1g4i n PHE 22 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 1g4i h ASN 23 N 0.00 0.00 -0.31 4.37 -1.07 -1.67 -3.37 115.58 113.52 1g4i h ASN 23 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 1g4i h ASN 23 Cb 0.50 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 36.43 1g4i h ASN 23 CO 0.00 0.05 -0.86 -3.20 0.07 0.00 0.00 177.43 173.49 1g4i n ASN 24 N -3.12 0.64 -4.77 6.14 2.85 -1.20 -4.00 115.26 111.79 1g4i n ASN 24 Ca 0.03 -2.09 -0.36 0.00 -0.11 0.00 0.00 54.58 52.05 1g4i n ASN 24 Cb 0.51 -0.12 -0.08 0.00 1.24 0.00 0.00 39.78 41.33 1g4i n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1g4i s TYR 25 N -2.60 3.36 0.00 1.20 6.14 -0.62 -1.44 117.35 123.39 1g4i s TYR 25 Ca 0.22 0.34 0.00 0.00 0.64 0.00 0.00 57.07 58.26 1g4i s TYR 25 Cb 0.36 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.89 1g4i s TYR 25 CO -0.07 0.59 0.00 0.41 0.64 0.00 0.00 175.55 177.12 1g4i n GLY 26 N 2.00 0.94 0.14 8.97 0.00 0.32 -1.75 105.19 115.81 1g4i n GLY 26 Ca -0.19 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1g4i n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g4i n TYR 28 N -2.70 0.00 -2.66 0.00 4.02 -1.25 -3.24 117.16 111.33 1g4i n TYR 28 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1g4i n TYR 28 Cb 0.52 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 1g4i n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1g4i n GLY 30 N 5.17 0.79 0.35 0.00 0.00 -1.26 -1.58 105.19 108.66 1g4i n GLY 30 Ca 0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1g4i n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g4i h LEU 31 N 0.00 1.05-10.48 0.99 3.38 -1.86 -3.44 115.31 104.96 1g4i h LEU 31 Ca 0.00 -0.11 -0.44 0.00 0.09 0.00 0.00 57.88 57.42 1g4i h LEU 31 Cb 0.00 -0.27 0.16 0.00 0.09 0.00 0.00 40.66 40.64 1g4i h LEU 31 CO 0.00 0.87 0.24 -0.83 0.09 0.00 0.00 178.44 178.81 1g4i s GLY 32 N -3.33 1.60 -0.33 0.83 0.00 -1.26 -5.07 107.32 99.76 1g4i s GLY 32 Ca -0.12 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.83 1g4i s GLY 32 CO 0.82 -0.01 1.14 0.61 0.00 0.00 0.00 173.10 175.67 1g4i n GLY 33 N -1.81 -1.79 3.56 0.20 0.00 -1.20 -4.43 105.19 99.72 1g4i n GLY 33 Ca 0.09 1.33 -0.09 0.00 0.00 0.00 0.00 46.02 47.35 1g4i n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g4i s SER 34 N 0.89 -0.26 0.00 1.61 1.04 -1.22 -5.01 113.70 110.75 1g4i s SER 34 Ca 0.23 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1g4i s SER 34 Cb 0.14 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1g4i s SER 34 CO -0.11 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1g4i n GLY 35 N -0.36 -1.92 3.69 7.32 0.00 -1.26 -4.77 105.19 107.89 1g4i n GLY 35 Ca -0.09 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1g4i n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g4i s THR 36 N 0.00 4.87 0.47 2.61 2.01 -1.26 -5.01 115.64 119.33 1g4i s THR 36 Ca 0.00 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.58 1g4i s THR 36 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 1g4i s THR 36 CO 0.00 0.07 1.33 -0.81 -0.69 0.00 0.00 174.62 174.52 1g4i n PRO 37 N 4.78 1.92 0.07 4.92 -0.04 -1.26 -4.84 135.00 140.55 1g4i n PRO 37 Ca 0.05 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1g4i n PRO 37 Cb 0.49 -2.51 0.14 0.00 -0.04 0.00 0.00 33.50 31.59 1g4i n PRO 37 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1g4i h VAL 38 N 1.90 0.00 -2.45 0.52 -1.51 -1.95 -3.47 116.25 109.29 1g4i h VAL 38 Ca -0.50 -0.59 0.11 0.00 -1.23 0.00 0.00 66.70 64.49 1g4i h VAL 38 Cb 1.29 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 1g4i h VAL 38 CO 0.59 0.00 0.45 -0.90 -1.23 0.00 0.00 177.57 176.48 1g4i n ASP 39 N -2.23 -1.49 -0.04 4.19 5.68 -1.26 -5.01 116.55 116.38 1g4i n ASP 39 Ca 0.03 -1.83 -0.05 0.00 -0.50 0.00 0.00 54.79 52.43 1g4i n ASP 39 Cb 0.46 2.44 0.15 0.00 -1.14 0.00 0.00 41.12 43.03 1g4i n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1g4i h ASP 40 N 1.62 0.64 -0.61 -1.12 3.32 -1.93 -1.03 116.42 117.31 1g4i h ASP 40 Ca -0.23 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1g4i h ASP 40 Cb 0.99 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1g4i h ASP 40 CO 0.31 0.85 0.32 0.25 -1.72 0.00 0.00 179.24 179.25 1g4i h LEU 41 N 0.57 0.78 -1.10 1.55 5.85 -1.93 -0.35 115.31 120.67 1g4i h LEU 41 Ca 0.09 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1g4i h LEU 41 Cb 0.67 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1g4i h LEU 41 CO 0.05 0.66 0.31 -0.78 -0.34 0.00 0.00 178.44 178.34 1g4i h ASP 42 N 0.84 0.85 -0.62 1.25 3.58 -1.83 -1.06 116.42 119.42 1g4i h ASP 42 Ca 0.21 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1g4i h ASP 42 Cb 0.07 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 1g4i h ASP 42 CO -0.03 0.73 0.28 -0.09 -2.88 0.00 0.00 179.24 177.24 1g4i h ARG 43 N 0.93 0.94 -0.64 0.28 2.43 -0.53 0.92 114.38 118.71 1g4i h ARG 43 Ca 0.23 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1g4i h ARG 43 Cb 0.11 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1g4i h ARG 43 CO -0.03 0.75 0.32 0.00 -1.51 0.00 0.00 179.97 179.51 1g4i h GLN 46 N 0.70 0.42 -0.55 0.00 4.15 -0.45 0.46 115.11 119.85 1g4i h GLN 46 Ca 0.10 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1g4i h GLN 46 Cb 0.73 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 1g4i h GLN 46 CO 0.06 0.29 0.30 1.15 -1.93 0.00 0.00 178.83 178.70 1g4i h THR 47 N 0.42 1.00 -0.38 2.39 2.02 -0.85 -0.28 112.91 117.22 1g4i h THR 47 Ca 0.12 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1g4i h THR 47 Cb -0.03 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1g4i h THR 47 CO -0.02 0.11 0.17 -0.74 0.37 0.00 0.00 175.52 175.41 1g4i h HIS 48 N 0.58 0.56 -0.67 3.16 -0.00 -1.00 0.19 115.15 117.97 1g4i h HIS 48 Ca 0.23 -0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1g4i h HIS 48 Cb 0.10 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 27.28 1g4i h HIS 48 CO -0.08 0.48 0.35 -0.44 -0.00 0.00 0.00 177.93 178.23 1g4i h ASP 49 N 0.47 0.48 0.02 3.26 5.19 -0.51 -0.75 116.42 124.57 1g4i h ASP 49 Ca 0.13 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.49 1g4i h ASP 49 Cb 0.14 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1g4i h ASP 49 CO -0.01 0.29 -0.30 0.78 -3.12 0.00 0.00 179.24 176.87 1g4i h ASN 50 N 0.62 0.43 -0.68 6.45 2.35 -0.46 -1.63 115.58 122.66 1g4i h ASN 50 Ca 0.32 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1g4i h ASN 50 Cb 0.28 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1g4i h ASN 50 CO -0.23 0.72 0.27 0.00 -1.65 0.00 0.00 177.43 176.54 1g4i h TYR 52 N 0.96 1.21 -0.59 0.00 -1.99 -0.88 0.21 116.97 115.88 1g4i h TYR 52 Ca 0.23 -0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.93 1g4i h TYR 52 Cb 0.21 -0.37 -0.04 0.00 2.00 0.00 0.00 36.73 38.52 1g4i h TYR 52 CO 0.01 0.88 0.33 0.87 -0.00 0.00 0.00 178.16 180.26 1g4i h LYS 53 N 1.19 0.62 -0.36 4.88 1.57 -0.86 -2.14 116.57 121.47 1g4i h LYS 53 Ca 0.28 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1g4i h LYS 53 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1g4i h LYS 53 CO -0.03 0.41 -0.24 1.96 -0.57 0.00 0.00 179.45 180.98 1g4i h GLN 54 N 0.64 0.73 -0.92 3.15 1.08 -0.76 -2.84 115.11 116.20 1g4i h GLN 54 Ca 0.25 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1g4i h GLN 54 Cb 0.10 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 1g4i h GLN 54 CO -0.14 0.90 0.60 0.00 -0.95 0.00 0.00 178.83 179.24 1g4i h ALA 55 N 1.09 1.47 0.00 3.87 0.00 -0.52 -0.89 119.26 124.29 1g4i h ALA 55 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1g4i h ALA 55 Cb 0.75 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1g4i h ALA 55 CO 0.06 0.40 0.00 0.87 0.00 0.00 0.00 179.25 180.58 1g4i h LYS 56 N 1.08 0.00 0.00 0.00 1.57 -1.15 -2.52 116.57 115.55 1g4i h LYS 56 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1g4i h LYS 56 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1g4i h LYS 56 CO -0.14 0.00 -0.75 1.63 -0.57 0.00 0.00 179.45 179.62 1g4i n LYS 57 N -2.98 0.15 -2.17 3.15 5.02 -0.37 -4.64 118.16 116.32 1g4i n LYS 57 Ca -0.00 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1g4i n LYS 57 Cb 0.24 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1g4i n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1g4i s LEU 58 N -3.53 4.38 0.23 -0.35 1.43 -0.95 -4.89 118.68 115.00 1g4i s LEU 58 Ca 0.07 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.47 1g4i s LEU 58 Cb 0.16 -3.59 0.36 0.00 0.03 0.00 0.00 46.19 43.14 1g4i s LEU 58 CO 0.75 -0.63 1.79 -0.78 0.23 0.00 0.00 176.35 177.71 1g4i h ASP 59 N 6.46 0.55 -0.45 2.29 3.58 -1.92 -0.57 116.42 126.36 1g4i h ASP 59 Ca -0.43 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.11 1g4i h ASP 59 Cb 1.21 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 1g4i h ASP 59 CO 0.84 0.32 0.23 -1.28 -2.88 0.00 0.00 179.24 176.47 1g4i h SER 60 N 0.68 0.34 -0.62 2.28 0.87 -1.94 0.01 113.55 115.17 1g4i h SER 60 Ca 0.37 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.86 1g4i h SER 60 Cb 0.36 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1g4i h SER 60 CO -0.26 0.24 0.05 0.00 -0.53 0.00 0.00 176.83 176.33 1g4i h LYS 62 N 0.97 0.63 -0.11 0.00 1.57 -0.47 -0.85 116.57 118.31 1g4i h LYS 62 Ca 0.18 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1g4i h LYS 62 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1g4i h LYS 62 CO 0.02 0.60 -0.22 -0.39 -0.57 0.00 0.00 179.45 178.89 1g4i h VAL 63 N 0.53 1.21 -0.00 0.50 -1.51 -0.90 -1.39 116.25 114.68 1g4i h VAL 63 Ca 0.14 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1g4i h VAL 63 Cb 0.21 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1g4i h VAL 63 CO -0.01 0.29 -0.01 0.18 -1.23 0.00 0.00 177.57 176.79 1g4i n LEU 64 N -4.21 0.22 -3.95 4.19 4.77 -0.58 -4.91 117.00 112.53 1g4i n LEU 64 Ca -0.01 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 1g4i n LEU 64 Cb 0.32 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1g4i n LEU 64 CO 0.39 0.04 -0.15 0.55 -1.33 0.00 0.00 177.39 176.88 1g4i n VAL 65 N -0.88 -2.89 -3.23 4.08 3.14 -0.53 -4.91 118.33 113.11 1g4i n VAL 65 Ca 0.22 -0.39 -0.29 0.00 -2.96 0.00 0.00 64.34 60.92 1g4i n VAL 65 Cb 0.17 -2.70 -0.03 0.00 -1.06 0.00 0.00 33.84 30.22 1g4i n VAL 65 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1g4i s ASP 66 N -4.13 6.45 -0.24 6.55 -1.08 -0.42 -5.05 116.67 118.75 1g4i s ASP 66 Ca 0.17 0.79 -0.02 0.00 -0.52 0.00 0.00 52.55 52.96 1g4i s ASP 66 Cb -0.09 -2.18 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 1g4i s ASP 66 CO 0.88 -0.25 -0.06 0.21 0.52 0.00 0.00 175.17 176.47 1g4i s ASN 67 N -3.23 4.28 0.54 -0.34 3.84 -1.26 -4.89 114.94 113.89 1g4i s ASN 67 Ca 0.45 -0.77 0.23 0.00 0.21 0.00 0.00 52.86 52.99 1g4i s ASN 67 Cb -0.11 -1.68 1.40 0.00 -0.55 0.00 0.00 41.25 40.32 1g4i s ASN 67 CO 0.31 -0.11 2.05 -0.65 -2.79 0.00 0.00 177.10 175.91 1g4i h PRO 68 N 8.04 0.00 0.00 0.43 0.11 -1.95 -0.79 132.00 137.84 1g4i h PRO 68 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1g4i h PRO 68 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1g4i h PRO 68 CO 0.59 0.00 -0.11 1.88 -0.21 0.00 0.00 178.00 180.15 1g4i h TYR 69 N 0.00 0.00 -0.12 0.65 0.05 -1.96 -3.10 116.97 112.49 1g4i h TYR 69 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1g4i h TYR 69 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1g4i h TYR 69 CO 0.00 0.11 0.00 0.25 -1.05 0.00 0.00 178.16 177.47 1g4i n THR 70 N -3.36 0.61 -1.76 -2.88 -2.24 -0.36 -3.60 114.28 100.69 1g4i n THR 70 Ca -0.01 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.56 1g4i n THR 70 Cb 0.30 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1g4i n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1g4i n ASN 71 N 0.18 3.63 -2.26 3.42 2.85 -0.86 -4.56 115.26 117.66 1g4i n ASN 71 Ca 0.05 1.22 -0.29 0.00 -0.11 0.00 0.00 54.58 55.46 1g4i n ASN 71 Cb 0.27 -1.60 0.13 0.00 1.24 0.00 0.00 39.78 39.82 1g4i n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1g4i n ASN 72 N 0.51 5.77 -4.63 1.20 4.05 -1.26 -0.25 115.26 120.66 1g4i n ASN 72 Ca 0.02 -3.71 -0.30 0.00 0.45 0.00 0.00 54.58 51.04 1g4i n ASN 72 Cb 0.38 -0.90 0.19 0.00 1.23 0.00 0.00 39.78 40.68 1g4i n ASN 72 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1g4i s TYR 73 N -3.58 1.67 0.08 1.20 -0.85 -1.26 -5.04 117.35 109.57 1g4i s TYR 73 Ca 0.61 1.53 0.07 0.00 -0.52 0.00 0.00 57.07 58.76 1g4i s TYR 73 Cb 0.49 -3.23 -0.04 0.00 0.38 0.00 0.00 41.96 39.57 1g4i s TYR 73 CO 0.05 -3.04 -0.12 0.45 -1.52 0.00 0.00 175.55 171.37 1g4i s SER 74 N -2.75 4.28 0.22 -0.18 0.15 -1.26 -4.90 113.70 109.26 1g4i s SER 74 Ca 0.67 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.82 1g4i s SER 74 Cb -0.23 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1g4i s SER 74 CO 0.60 0.20 0.41 -0.72 1.20 0.00 0.00 173.24 174.93 1g4i s TYR 75 N -1.13 0.41 0.08 3.44 1.13 -1.26 -1.32 117.35 118.69 1g4i s TYR 75 Ca 0.19 -0.76 0.02 0.00 -1.41 0.00 0.00 57.07 55.11 1g4i s TYR 75 Cb -0.11 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 1g4i s TYR 75 CO 0.11 -0.90 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.64 1g4i s SER 76 N -3.01 1.02 -0.13 -0.18 1.04 -0.15 -4.90 113.70 107.39 1g4i s SER 76 Ca 0.22 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1g4i s SER 76 Cb 0.01 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.21 1g4i s SER 76 CO 0.07 -0.37 -0.20 0.00 0.98 0.00 0.00 173.24 173.72 1g4i s SER 78 N 0.90 0.41 -1.55 0.00 0.01 -0.37 -4.87 113.70 108.23 1g4i s SER 78 Ca -0.06 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 1g4i s SER 78 Cb -0.15 -0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.08 1g4i s SER 78 CO -0.02 -0.17 0.66 -3.20 0.41 0.00 0.00 173.24 170.92 1g4i n ASN 79 N 4.55 -2.23 -1.38 2.44 5.15 -1.26 -0.90 115.26 121.63 1g4i n ASN 79 Ca -0.20 -0.98 -0.15 0.00 -0.60 0.00 0.00 54.58 52.65 1g4i n ASN 79 Cb 0.50 -3.04 -0.05 0.00 -0.53 0.00 0.00 39.78 36.66 1g4i n ASN 79 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1g4i n ASN 80 N -2.82 -4.78 -4.31 1.20 4.13 -1.26 -5.00 115.26 102.42 1g4i n ASN 80 Ca -0.10 0.25 -0.32 0.00 1.68 0.00 0.00 54.58 56.09 1g4i n ASN 80 Cb 0.58 -3.73 -0.16 0.00 -1.54 0.00 0.00 39.78 34.94 1g4i n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1g4i s GLU 81 N -3.80 2.65 -0.14 3.52 2.02 -0.08 -4.51 118.70 118.36 1g4i s GLU 81 Ca 0.00 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.00 1g4i s GLU 81 Cb 0.00 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 1g4i s GLU 81 CO 0.00 0.40 0.33 0.42 0.02 0.00 0.00 175.26 176.42 1g4i s ILE 82 N -0.19 5.27 -0.18 -1.63 1.01 -1.26 -1.23 121.20 122.99 1g4i s ILE 82 Ca -0.02 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1g4i s ILE 82 Cb -0.14 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.70 1g4i s ILE 82 CO 0.03 0.41 -0.15 -0.89 0.00 0.00 0.00 174.94 174.34 1g4i s THR 83 N 0.30 1.83 0.22 2.92 2.01 0.03 -4.99 115.64 117.95 1g4i s THR 83 Ca 0.19 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1g4i s THR 83 Cb -0.14 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.54 1g4i s THR 83 CO 0.06 0.39 1.26 0.00 -0.69 0.00 0.00 174.62 175.64 1g4i s SER 85 N 0.03 6.56 0.58 0.00 0.15 -0.44 -4.89 113.70 115.69 1g4i s SER 85 Ca 0.53 2.78 0.34 0.00 0.70 0.00 0.00 55.95 60.31 1g4i s SER 85 Cb -0.36 -2.63 1.73 0.00 -1.71 0.00 0.00 66.02 63.05 1g4i s SER 85 CO 0.40 -0.76 2.14 0.77 1.20 0.00 0.00 173.24 176.99 1g4i h SER 86 N 4.65 0.00 1.12 5.45 4.64 -1.92 -2.29 113.55 125.20 1g4i h SER 86 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1g4i h SER 86 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1g4i h SER 86 CO 0.76 0.05 0.00 -0.33 -0.87 0.00 0.00 176.83 176.44 1g4i h GLU 87 N 0.00 0.00 -6.77 4.77 5.08 -1.96 -3.46 114.58 112.25 1g4i h GLU 87 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1g4i h GLU 87 Cb 0.28 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.63 1g4i h GLU 87 CO 0.01 0.00 0.66 0.09 -1.00 0.00 0.00 179.01 178.76 1g4i n ASN 88 N -2.36 3.19 -4.29 1.42 3.02 -0.86 -4.99 115.26 110.39 1g4i n ASN 88 Ca 0.03 1.19 -0.29 0.00 -0.03 0.00 0.00 54.58 55.48 1g4i n ASN 88 Cb 0.33 -1.52 0.20 0.00 -0.61 0.00 0.00 39.78 38.17 1g4i n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1g4i s ASN 89 N -0.00 2.11 0.30 6.41 2.20 -1.26 -4.58 114.94 120.12 1g4i s ASN 89 Ca 0.59 0.81 -0.01 0.00 -0.94 0.00 0.00 52.86 53.31 1g4i s ASN 89 Cb -0.55 -1.22 0.48 0.00 -2.00 0.00 0.00 41.25 37.96 1g4i s ASN 89 CO 0.58 -3.40 1.93 0.00 -2.94 0.00 0.00 177.10 173.26 1g4i h ALA 90 N -2.09 1.46 0.18 3.54 0.00 -1.98 0.31 119.26 120.69 1g4i h ALA 90 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1g4i h ALA 90 Cb 1.31 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1g4i h ALA 90 CO 0.47 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 180.07 1g4i h GLU 92 N -0.63 0.36 -0.61 0.00 5.08 -1.80 -1.52 114.58 115.46 1g4i h GLU 92 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1g4i h GLU 92 Cb 0.46 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1g4i h GLU 92 CO 0.04 0.24 0.25 0.00 -1.00 0.00 0.00 179.01 178.54 1g4i h ALA 93 N 1.51 0.79 -0.17 3.43 0.00 -0.36 0.10 119.26 124.57 1g4i h ALA 93 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1g4i h ALA 93 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1g4i h ALA 93 CO -0.40 0.40 0.11 0.35 0.00 0.00 0.00 179.25 179.71 1g4i h PHE 94 N 0.85 0.22 -0.51 0.00 3.04 -0.76 -0.43 116.94 119.35 1g4i h PHE 94 Ca 0.20 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.06 1g4i h PHE 94 Cb 0.19 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1g4i h PHE 94 CO 0.01 0.17 -0.06 0.82 -2.02 0.00 0.00 178.31 177.23 1g4i h ILE 95 N 0.21 1.27 -0.91 1.41 2.04 -1.12 -0.69 117.51 119.71 1g4i h ILE 95 Ca 0.06 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.80 1g4i h ILE 95 Cb 0.01 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1g4i h ILE 95 CO -0.01 0.41 0.58 0.00 0.00 0.00 0.00 178.15 179.13 1g4i h ASN 97 N 1.07 0.95 -0.39 0.00 -0.73 -0.60 0.11 115.58 115.98 1g4i h ASN 97 Ca 0.39 -0.26 0.06 0.00 1.87 0.00 0.00 56.30 58.36 1g4i h ASN 97 Cb 0.14 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 1g4i h ASN 97 CO -0.16 1.00 0.09 0.00 -0.37 0.00 0.00 177.43 177.99 1g4i h ASP 99 N 0.23 0.71 -0.41 0.00 3.32 -0.88 -1.88 116.42 117.50 1g4i h ASP 99 Ca 0.19 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1g4i h ASP 99 Cb 0.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1g4i h ASP 99 CO -0.23 0.92 0.16 -0.09 -1.72 0.00 0.00 179.24 178.28 1g4i h ARG 100 N 0.50 0.62 -0.72 3.56 2.43 -0.64 -0.26 114.38 119.87 1g4i h ARG 100 Ca 0.09 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1g4i h ARG 100 Cb 0.61 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1g4i h ARG 100 CO 0.04 0.58 0.44 -0.91 -1.51 0.00 0.00 179.97 178.61 1g4i h ASN 101 N 0.52 0.70 -0.35 -3.80 -0.26 -0.89 -0.95 115.58 110.56 1g4i h ASN 101 Ca 0.14 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1g4i h ASN 101 Cb 0.19 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1g4i h ASN 101 CO -0.01 0.47 -0.09 0.00 -1.06 0.00 0.00 177.43 176.74 1g4i h ALA 102 N 1.33 0.48 -0.77 -0.83 0.00 -1.00 -0.22 119.26 118.25 1g4i h ALA 102 Ca 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1g4i h ALA 102 Cb 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1g4i h ALA 102 CO -0.14 0.33 0.41 0.00 0.00 0.00 0.00 179.25 179.85 1g4i h ALA 103 N 0.81 0.98 -0.24 0.00 0.00 -0.72 0.12 119.26 120.22 1g4i h ALA 103 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1g4i h ALA 103 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1g4i h ALA 103 CO 0.04 0.51 0.12 0.82 0.00 0.00 0.00 179.25 180.73 1g4i h ILE 104 N 1.06 1.13 -0.33 0.00 2.04 -1.11 -2.40 117.51 117.91 1g4i h ILE 104 Ca 0.27 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1g4i h ILE 104 Cb 0.05 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1g4i h ILE 104 CO -0.04 0.13 0.01 0.00 0.00 0.00 0.00 178.15 178.25 1g4i h PHE 106 N 0.11 0.87 0.00 0.00 -1.00 -0.61 -1.09 116.94 115.22 1g4i h PHE 106 Ca 0.16 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1g4i h PHE 106 Cb 0.21 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1g4i h PHE 106 CO -0.23 0.43 0.00 -1.13 -1.61 0.00 0.00 178.31 175.77 1g4i n SER 107 N -4.50 0.50 -0.62 2.17 3.41 -0.70 -3.33 113.62 110.55 1g4i n SER 107 Ca 0.13 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.40 1g4i n SER 107 Cb 0.27 -0.71 0.12 0.00 -0.26 0.00 0.00 64.21 63.62 1g4i n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1g4i n LYS 108 N -2.03 1.88 -4.34 4.33 4.76 -0.42 -5.01 118.16 117.33 1g4i n LYS 108 Ca 0.04 -1.71 -0.20 0.00 -2.87 0.00 0.00 58.31 53.56 1g4i n LYS 108 Cb 0.27 -1.27 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 1g4i n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1g4i s VAL 109 N -1.02 1.77 0.62 -0.18 -7.23 -1.16 -5.08 120.40 108.12 1g4i s VAL 109 Ca 0.21 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 1g4i s VAL 109 Cb 0.12 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1g4i s VAL 109 CO 0.17 -0.44 1.14 -2.84 -0.31 0.00 0.00 175.10 172.82 1g4i s PRO 110 N -3.15 2.93 -0.30 4.82 0.02 -1.26 -4.95 135.00 133.11 1g4i s PRO 110 Ca 0.18 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 1g4i s PRO 110 Cb -0.04 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1g4i s PRO 110 CO 0.07 -1.18 0.16 -0.47 -0.33 0.00 0.00 177.00 175.25 1g4i s TYR 111 N -2.00 3.18 -0.55 6.54 6.14 -1.26 -4.46 117.35 124.93 1g4i s TYR 111 Ca 0.71 -0.30 -0.09 0.00 0.64 0.00 0.00 57.07 58.04 1g4i s TYR 111 Cb -0.24 -2.36 0.14 0.00 0.42 0.00 0.00 41.96 39.92 1g4i s TYR 111 CO 0.36 -0.34 0.43 -0.80 0.64 0.00 0.00 175.55 175.83 1g4i s ASN 112 N 1.67 5.77 0.49 4.32 0.01 -1.26 -4.96 114.94 120.98 1g4i s ASN 112 Ca 0.06 -2.22 0.33 0.00 -0.71 0.00 0.00 52.86 50.32 1g4i s ASN 112 Cb -0.16 -2.01 1.58 0.00 0.41 0.00 0.00 41.25 41.07 1g4i s ASN 112 CO 0.08 -0.61 2.00 0.07 -1.51 0.00 0.00 177.10 177.12 1g4i h LYS 113 N 8.07 0.00 0.00 -0.60 2.10 -1.99 -0.01 116.57 124.15 1g4i h LYS 113 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1g4i h LYS 113 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1g4i h LYS 113 CO 0.82 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.42 1g4i n GLU 114 N -2.79 0.16 0.00 0.07 0.00 -1.26 -1.75 120.64 115.06 1g4i n GLU 114 Ca -0.01 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.83 1g4i n GLU 114 Cb 0.18 -1.92 0.20 0.00 0.00 0.00 0.00 31.44 29.90 1g4i n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1g4i n HIS 115 N -2.24 0.00 -2.24 -1.84 8.25 -0.02 -4.86 115.22 112.27 1g4i n HIS 115 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1g4i n HIS 115 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1g4i n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1g4i s LYS 116 N -2.26 4.43 -1.29 -0.41 2.20 -0.72 -0.52 119.74 121.18 1g4i s LYS 116 Ca 0.26 2.05 -0.02 0.00 -0.36 0.00 0.00 55.97 57.89 1g4i s LYS 116 Cb 0.19 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1g4i s LYS 116 CO 0.44 -0.13 0.93 0.09 -0.36 0.00 0.00 175.35 176.32 1g4i n ASN 117 N 1.76 -2.59 -4.72 1.43 3.02 -0.52 -4.91 115.26 108.73 1g4i n ASN 117 Ca 0.03 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.47 1g4i n ASN 117 Cb 0.43 -4.66 -0.03 0.00 -0.61 0.00 0.00 39.78 34.91 1g4i n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1g4i s LEU 118 N -6.67 4.40 0.09 3.41 2.96 -1.21 -4.96 118.68 116.69 1g4i s LEU 118 Ca 0.14 2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 55.85 1g4i s LEU 118 Cb -0.06 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 1g4i s LEU 118 CO 0.77 -0.46 1.63 -0.62 -1.32 0.00 0.00 176.35 176.34 1g4i s ASP 119 N 0.78 6.61 0.00 3.68 -1.08 -1.26 -4.88 116.67 120.52 1g4i s ASP 119 Ca 0.58 2.51 0.18 0.00 -0.52 0.00 0.00 52.55 55.29 1g4i s ASP 119 Cb -0.31 -2.57 1.04 0.00 -1.46 0.00 0.00 42.92 39.62 1g4i s ASP 119 CO 0.31 -0.87 1.49 0.29 0.52 0.00 0.00 175.17 176.92 1g4i n LYS 120 N 5.20 0.50 0.24 4.34 4.76 -1.26 -1.47 118.16 130.48 1g4i n LYS 120 Ca 0.15 0.02 0.17 0.00 -2.87 0.00 0.00 58.31 55.78 1g4i n LYS 120 Cb 0.40 -1.50 0.83 0.00 -1.84 0.00 0.00 35.03 32.92 1g4i n LYS 120 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1g4i h LYS 121 N 0.00 0.00 -0.12 1.97 2.10 -2.03 -1.37 116.57 117.13 1g4i h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1g4i h LYS 121 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1g4i h LYS 121 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1g4i n ASN 122 N -2.71 0.82 -0.02 7.07 3.02 -0.54 -5.21 115.26 117.69 1g4i n ASN 122 Ca -0.01 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1g4i n ASN 122 Cb 0.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1g4i n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64