#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgg s ASP 2 N 0.00 0.91 -0.08 6.12 2.15 -1.26 -1.18 116.67 123.34 1zgg s ASP 2 Ca 0.00 0.00 0.03 0.00 0.43 0.00 0.00 52.55 53.02 1zgg s ASP 2 Cb 0.00 -0.23 -0.02 0.00 -0.30 0.00 0.00 42.92 42.37 1zgg s ASP 2 CO 0.00 -0.18 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.02 1zgg s ILE 3 N 1.64 2.69 -0.26 4.11 1.01 -0.56 -0.73 121.20 129.12 1zgg s ILE 3 Ca -0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1zgg s ILE 3 Cb -0.13 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1zgg s ILE 3 CO -0.03 0.56 0.00 -0.63 0.00 0.00 0.00 174.94 174.85 1zgg s ILE 4 N -0.17 3.51 0.06 2.92 1.01 -0.36 -0.42 121.20 127.74 1zgg s ILE 4 Ca -0.01 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 1zgg s ILE 4 Cb -0.14 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1zgg s ILE 4 CO 0.03 0.23 0.87 -0.36 0.00 0.00 0.00 174.94 175.71 1zgg s PHE 5 N 1.45 3.75 -0.13 3.97 0.08 -0.16 -0.63 117.98 126.32 1zgg s PHE 5 Ca 0.03 1.63 -0.09 0.00 0.12 0.00 0.00 56.93 58.61 1zgg s PHE 5 Cb -0.16 -2.96 0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1zgg s PHE 5 CO -0.01 0.19 0.32 0.54 -0.10 0.00 0.00 175.22 176.17 1zgg s VAL 6 N 0.17 -0.01 0.40 -0.44 0.11 -0.45 -1.53 120.40 118.64 1zgg s VAL 6 Ca 0.44 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.58 1zgg s VAL 6 Cb -0.22 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1zgg s VAL 6 CO 0.26 0.02 0.16 0.00 -3.33 0.00 0.00 175.10 172.21 1zgg h THR 8 N 1.72 0.88 -2.70 0.00 1.35 -1.94 -1.17 112.91 111.05 1zgg h THR 8 Ca -0.31 -0.50 -0.67 0.00 -0.55 0.00 0.00 66.41 64.38 1zgg h THR 8 Cb 1.21 1.18 -0.37 0.00 -1.73 0.00 0.00 68.15 68.44 1zgg h THR 8 CO 0.48 0.11 -0.16 0.61 -0.25 0.00 0.00 175.52 176.31 1zgg n GLY 9 N -0.52 4.66 0.58 5.82 0.00 -1.26 -3.31 105.19 111.16 1zgg n GLY 9 Ca -0.09 -2.69 0.45 0.00 0.00 0.00 0.00 46.02 43.69 1zgg n GLY 9 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1zgg h ASN 10 N 4.99 0.11 0.14 1.61 -1.07 -1.81 -1.46 115.58 118.09 1zgg h ASN 10 Ca 0.19 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.63 1zgg h ASN 10 Cb 0.69 0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.02 1zgg h ASN 10 CO 0.94 -0.12 0.00 0.71 0.07 0.00 0.00 177.43 179.03 1zgg h THR 11 N 0.02 0.00 -0.29 6.14 1.35 -1.93 -0.80 112.91 117.40 1zgg h THR 11 Ca 0.88 -0.06 0.03 0.00 -0.55 0.00 0.00 66.41 66.72 1zgg h THR 11 Cb 3.17 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 70.34 1zgg h THR 11 CO -0.24 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.12 1zgg n ARG 13 N -5.04 0.00 -0.15 0.00 1.85 -1.16 -4.57 116.66 107.59 1zgg n ARG 13 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1zgg n ARG 13 Cb 0.11 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.55 1zgg n ARG 13 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1zgg h SER 14 N 0.00 -0.46 1.13 2.89 0.02 -1.42 -0.03 113.55 115.68 1zgg h SER 14 Ca 0.00 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1zgg h SER 14 Cb 0.34 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1zgg h SER 14 CO 0.00 -0.16 -0.21 1.55 -1.14 0.00 0.00 176.83 176.87 1zgg h PRO 15 N -0.01 0.00 -0.01 3.45 0.13 -1.90 -0.68 132.00 132.98 1zgg h PRO 15 Ca 0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1zgg h PRO 15 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1zgg h PRO 15 CO -0.49 0.21 0.01 0.52 -0.23 0.00 0.00 178.00 178.02 1zgg h MET 16 N 0.00 0.02 -0.77 0.86 2.86 -1.61 -1.20 114.93 115.08 1zgg h MET 16 Ca -0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1zgg h MET 16 Cb 0.83 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1zgg h MET 16 CO 0.03 0.11 0.32 0.00 1.06 0.00 0.00 176.91 178.43 1zgg h ALA 17 N 0.91 1.11 0.03 6.32 0.00 -0.50 0.54 119.26 127.67 1zgg h ALA 17 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 17 Cb 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1zgg h ALA 17 CO -0.00 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.37 1zgg h GLU 18 N 1.12 -0.03 -0.37 0.00 4.81 -1.08 0.80 114.58 119.82 1zgg h GLU 18 Ca 0.26 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1zgg h GLU 18 Cb 0.19 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1zgg h GLU 18 CO -0.02 -0.02 -0.38 0.00 -0.73 0.00 0.00 179.01 177.86 1zgg h ALA 19 N 0.93 0.62 -0.38 2.92 0.00 -0.67 0.22 119.26 122.91 1zgg h ALA 19 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1zgg h ALA 19 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1zgg h ALA 19 CO 0.01 0.67 -0.23 1.25 0.00 0.00 0.00 179.25 180.96 1zgg h LEU 20 N 0.73 0.86 -0.58 0.00 6.46 -0.87 -1.58 115.31 120.34 1zgg h LEU 20 Ca 0.06 -0.42 -0.13 0.00 -0.12 0.00 0.00 57.88 57.27 1zgg h LEU 20 Cb 0.96 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1zgg h LEU 20 CO 0.09 1.10 -0.26 0.15 -0.62 0.00 0.00 178.44 178.90 1zgg h PHE 21 N 0.64 0.99 -0.54 1.25 3.57 -0.62 -0.94 116.94 121.29 1zgg h PHE 21 Ca 0.08 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1zgg h PHE 21 Cb 0.79 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1zgg h PHE 21 CO 0.06 1.02 0.32 0.87 -2.23 0.00 0.00 178.31 178.35 1zgg h LYS 22 N 0.74 0.61 -0.60 1.11 1.57 -0.83 0.22 116.57 119.39 1zgg h LYS 22 Ca 0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1zgg h LYS 22 Cb 0.81 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1zgg h LYS 22 CO 0.07 0.40 0.25 0.77 -0.57 0.00 0.00 179.45 180.37 1zgg h SER 23 N 0.63 0.82 -0.46 0.86 0.02 -0.94 -0.06 113.55 114.41 1zgg h SER 23 Ca 0.22 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1zgg h SER 23 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1zgg h SER 23 CO -0.11 0.76 0.15 0.40 -1.14 0.00 0.00 176.83 176.89 1zgg h ILE 24 N 0.83 1.22 -0.64 3.27 2.04 -0.72 -1.48 117.51 122.04 1zgg h ILE 24 Ca 0.20 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1zgg h ILE 24 Cb 0.19 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1zgg h ILE 24 CO -0.02 0.27 0.09 0.00 0.00 0.00 0.00 178.15 178.49 1zgg h ALA 25 N 1.00 0.94 -0.50 1.87 0.00 -0.25 -0.09 119.26 122.24 1zgg h ALA 25 Ca 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 25 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1zgg h ALA 25 CO -0.01 0.65 0.07 1.49 0.00 0.00 0.00 179.25 181.46 1zgg h GLU 26 N 0.99 0.83 -0.19 0.00 4.22 -0.82 0.14 114.58 119.76 1zgg h GLU 26 Ca 0.19 -0.23 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 1zgg h GLU 26 Cb 0.45 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1zgg h GLU 26 CO 0.01 0.83 -0.49 0.07 -2.18 0.00 0.00 179.01 177.26 1zgg h ARG 27 N 0.71 0.50 0.00 1.92 -0.00 -0.90 -2.92 114.38 113.69 1zgg h ARG 27 Ca 0.15 -0.29 -0.07 0.00 -0.00 0.00 0.00 59.98 59.77 1zgg h ARG 27 Cb 0.41 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.39 1zgg h ARG 27 CO 0.01 0.88 -0.36 0.93 -0.00 0.00 0.00 179.97 181.44 1zgg h GLU 28 N 0.40 0.00 -0.40 0.08 4.39 -0.84 -3.48 114.58 114.74 1zgg h GLU 28 Ca 0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1zgg h GLU 28 Cb 1.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1zgg h GLU 28 CO 0.09 0.36 -0.09 0.41 -1.16 0.00 0.00 179.01 178.62 1zgg n GLY 29 N 0.52 0.43 3.71 -3.84 0.00 0.32 -5.06 105.19 101.26 1zgg n GLY 29 Ca 0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1zgg n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zgg s LEU 30 N -1.04 2.25 -0.25 0.99 1.43 -0.23 -5.02 118.68 116.81 1zgg s LEU 30 Ca 0.00 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1zgg s LEU 30 Cb 0.00 -3.92 0.07 0.00 0.03 0.00 0.00 46.19 42.37 1zgg s LEU 30 CO 0.00 -2.68 0.03 0.21 0.23 0.00 0.00 176.35 174.15 1zgg s ASN 31 N -3.38 3.63 0.24 2.29 2.47 -1.26 -4.71 114.94 114.22 1zgg s ASN 31 Ca 0.64 -1.25 -0.03 0.00 0.42 0.00 0.00 52.86 52.63 1zgg s ASN 31 Cb -0.18 -0.90 -0.03 0.00 -1.45 0.00 0.00 41.25 38.69 1zgg s ASN 31 CO 0.57 -0.33 0.26 0.68 -3.72 0.00 0.00 177.10 174.56 1zgg s VAL 32 N 1.60 0.00 0.13 -5.21 -7.23 -1.26 -4.62 120.40 103.81 1zgg s VAL 32 Ca 0.02 -1.83 0.10 0.00 -1.81 0.00 0.00 61.98 58.46 1zgg s VAL 32 Cb -0.18 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1zgg s VAL 32 CO -0.13 0.00 -0.26 0.21 -0.31 0.00 0.00 175.10 174.61 1zgg s ASN 33 N -3.16 3.16 0.04 4.85 2.47 -0.32 -5.01 114.94 116.97 1zgg s ASN 33 Ca 0.35 -0.74 0.01 0.00 0.42 0.00 0.00 52.86 52.89 1zgg s ASN 33 Cb 0.04 -0.20 -0.03 0.00 -1.45 0.00 0.00 41.25 39.61 1zgg s ASN 33 CO 0.14 0.15 -0.05 0.68 -3.72 0.00 0.00 177.10 174.30 1zgg s VAL 34 N -1.12 0.37 0.14 -5.21 -7.23 -1.26 -1.49 120.40 104.60 1zgg s VAL 34 Ca 0.13 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1zgg s VAL 34 Cb -0.10 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1zgg s VAL 34 CO 0.06 -0.57 0.06 -0.60 -0.31 0.00 0.00 175.10 173.74 1zgg s ARG 35 N -2.17 0.98 -0.02 4.82 6.06 0.43 -4.92 118.95 124.14 1zgg s ARG 35 Ca -0.07 -1.48 0.02 0.00 -2.50 0.00 0.00 55.73 51.71 1zgg s ARG 35 Cb -0.05 0.21 0.00 0.00 0.06 0.00 0.00 34.95 35.17 1zgg s ARG 35 CO -0.02 -0.27 -0.07 -1.12 -2.50 0.00 0.00 175.30 171.31 1zgg s SER 36 N -3.08 1.00 0.32 -2.12 0.01 -1.26 -0.98 113.70 107.59 1zgg s SER 36 Ca 0.26 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.33 1zgg s SER 36 Cb 0.07 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1zgg s SER 36 CO 0.04 0.05 0.48 0.00 0.41 0.00 0.00 173.24 174.22 1zgg s ALA 37 N 0.18 0.54 0.01 1.44 0.00 -0.58 -4.66 121.76 118.68 1zgg s ALA 37 Ca -0.02 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 1zgg s ALA 37 Cb -0.07 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 1zgg s ALA 37 CO 0.00 -0.80 0.01 0.20 0.00 0.00 0.00 175.76 175.16 1zgg s GLY 38 N -3.19 0.13 0.53 0.00 0.00 -1.07 -3.42 107.32 100.30 1zgg s GLY 38 Ca 0.29 -0.32 0.27 0.00 0.00 0.00 0.00 44.72 44.96 1zgg s GLY 38 CO 0.18 -0.38 2.09 -0.39 0.00 0.00 0.00 173.10 174.60 1zgg h VAL 39 N 4.76 0.57 0.00 1.40 -1.51 -1.38 -0.05 116.25 120.04 1zgg h VAL 39 Ca -0.29 -0.47 -0.11 0.00 -1.23 0.00 0.00 66.70 64.60 1zgg h VAL 39 Cb 1.21 1.30 -0.23 0.00 -2.13 0.00 0.00 31.29 31.44 1zgg h VAL 39 CO 0.44 0.10 -0.79 0.49 -1.23 0.00 0.00 177.57 176.58 1zgg n PHE 40 N -3.68 0.00 -1.30 5.19 3.72 -1.23 -4.76 117.46 115.41 1zgg n PHE 40 Ca -0.02 -0.56 -0.29 0.00 -0.05 0.00 0.00 57.45 56.53 1zgg n PHE 40 Cb 0.22 -0.14 0.18 0.00 -0.94 0.00 0.00 39.48 38.80 1zgg n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1zgg s ALA 41 N -0.60 1.15 0.04 4.37 0.00 -1.15 -4.89 121.76 120.68 1zgg s ALA 41 Ca 0.27 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1zgg s ALA 41 Cb 0.30 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1zgg s ALA 41 CO -0.11 -2.87 -0.06 -1.12 0.00 0.00 0.00 175.76 171.60 1zgg s SER 42 N -3.82 0.74 0.00 0.00 0.01 -1.26 -4.12 113.70 105.25 1zgg s SER 42 Ca 0.67 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1zgg s SER 42 Cb -0.14 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1zgg s SER 42 CO 0.56 -0.27 0.05 -2.65 0.41 0.00 0.00 173.24 171.34 1zgg n PRO 43 N 1.27 0.00 -0.10 12.44 -0.02 -1.25 -2.28 135.00 145.05 1zgg n PRO 43 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1zgg n PRO 43 Cb 0.56 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1zgg n PRO 43 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1zgg n ASN 44 N -0.52 0.00 -4.78 2.55 6.94 -1.26 -4.70 115.26 113.49 1zgg n ASN 44 Ca 0.00 -1.19 -0.30 0.00 -0.02 0.00 0.00 54.58 53.07 1zgg n ASN 44 Cb 0.00 -0.04 0.09 0.00 -2.36 0.00 0.00 39.78 37.47 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1zgg s GLY 45 N -0.19 1.64 0.22 4.83 0.00 -0.97 -4.89 107.32 107.96 1zgg s GLY 45 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1zgg s GLY 45 CO 0.00 0.37 0.62 -1.59 0.00 0.00 0.00 173.10 172.50 1zgg s LYS 46 N -5.04 1.50 0.21 2.90 -2.85 -1.26 -0.39 119.74 114.81 1zgg s LYS 46 Ca 0.61 -0.79 -0.31 0.00 -1.00 0.00 0.00 55.97 54.48 1zgg s LYS 46 Cb -0.15 0.58 -0.15 0.00 -2.06 0.00 0.00 37.83 36.04 1zgg s LYS 46 CO 0.55 -0.67 1.10 0.00 0.10 0.00 0.00 175.35 176.44 1zgg n ALA 47 N -0.40 -0.66 -1.59 0.59 0.00 -0.87 -4.88 120.51 112.69 1zgg n ALA 47 Ca -0.10 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1zgg n ALA 47 Cb 0.62 -2.02 0.04 0.00 0.00 0.00 0.00 19.45 18.09 1zgg n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zgg s THR 48 N -0.46 3.98 0.54 0.00 -4.23 -1.26 -4.82 115.64 109.38 1zgg s THR 48 Ca 0.69 0.71 0.25 0.00 -1.18 0.00 0.00 61.69 62.16 1zgg s THR 48 Cb -0.81 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 69.89 1zgg s THR 48 CO 0.54 -0.77 1.76 -0.65 -0.54 0.00 0.00 174.62 174.96 1zgg h PRO 49 N -0.42 0.00 0.00 3.99 0.11 -2.00 -2.14 132.00 131.55 1zgg h PRO 49 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1zgg h PRO 49 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1zgg h PRO 49 CO 0.57 0.00 -1.55 0.72 -0.21 0.00 0.00 178.00 177.53 1zgg n HIS 50 N -2.71 0.00 0.03 0.65 8.25 -1.26 -3.82 115.22 116.36 1zgg n HIS 50 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1zgg n HIS 50 Cb 0.40 -0.39 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1zgg n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zgg h ALA 51 N 0.32 0.02 -0.71 -1.41 0.00 -1.90 0.62 119.26 116.21 1zgg h ALA 51 Ca -0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1zgg h ALA 51 Cb 1.46 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1zgg h ALA 51 CO 0.00 -0.45 0.33 -0.24 0.00 0.00 0.00 179.25 178.89 1zgg h VAL 52 N -0.04 1.23 -0.35 0.00 3.04 -1.63 -1.56 116.25 116.94 1zgg h VAL 52 Ca 0.01 -0.67 -0.14 0.00 -1.01 0.00 0.00 66.70 64.89 1zgg h VAL 52 Cb 0.06 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1zgg h VAL 52 CO -0.00 0.28 -0.33 -0.08 -1.01 0.00 0.00 177.57 176.43 1zgg h GLU 53 N 0.99 0.78 -0.70 4.17 4.81 -1.62 0.66 114.58 123.66 1zgg h GLU 53 Ca 0.24 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1zgg h GLU 53 Cb 0.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1zgg h GLU 53 CO -0.03 0.99 0.27 0.00 -0.73 0.00 0.00 179.01 179.51 1zgg h ALA 54 N 0.97 0.91 0.00 2.92 0.00 -0.43 0.13 119.26 123.76 1zgg h ALA 54 Ca 0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1zgg h ALA 54 Cb 0.87 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1zgg h ALA 54 CO 0.08 0.55 -0.59 -0.07 0.00 0.00 0.00 179.25 179.22 1zgg h LEU 55 N 1.01 0.00 -0.73 0.00 -0.00 -1.09 -1.39 115.31 113.10 1zgg h LEU 55 Ca 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.02 1zgg h LEU 55 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1zgg h LEU 55 CO -0.02 0.48 -0.08 -0.26 -0.00 0.00 0.00 178.44 178.56 1zgg h PHE 56 N 0.00 0.98 -0.36 1.13 0.04 -0.54 0.82 116.94 119.01 1zgg h PHE 56 Ca -0.02 -0.18 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 1zgg h PHE 56 Cb 1.38 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 1zgg h PHE 56 CO 0.00 0.92 -0.30 1.49 -0.60 0.00 0.00 178.31 179.83 1zgg h GLU 57 N 0.81 0.78 0.00 1.51 4.81 -0.88 -1.02 114.58 120.60 1zgg h GLU 57 Ca 0.14 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1zgg h GLU 57 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1zgg h GLU 57 CO 0.04 0.98 0.00 1.17 -0.73 0.00 0.00 179.01 180.47 1zgg n LYS 58 N -4.08 0.03 -2.90 1.92 4.81 -0.53 -4.89 118.16 112.51 1zgg n LYS 58 Ca -0.01 0.31 -0.11 0.00 -0.87 0.00 0.00 58.31 57.63 1zgg n LYS 58 Cb 0.48 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 34.09 1zgg n LYS 58 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1zgg n HIS 59 N -1.46 -1.47 0.00 5.64 -0.00 -0.39 -4.97 115.22 112.58 1zgg n HIS 59 Ca 0.03 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 1zgg n HIS 59 Cb 0.11 -3.98 -0.00 0.00 -0.00 0.00 0.00 29.99 26.12 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1zgg n ILE 60 N -3.01 0.00 -3.44 3.57 5.41 0.16 -5.01 119.36 117.04 1zgg n ILE 60 Ca -0.17 -0.06 -0.20 0.00 1.00 0.00 0.00 62.75 63.32 1zgg n ILE 60 Cb 0.61 0.56 0.04 0.00 -0.71 0.00 0.00 39.64 40.14 1zgg n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zgg n ALA 61 N -1.44 -2.55 -1.75 -1.39 0.00 -1.20 -4.93 120.51 107.25 1zgg n ALA 61 Ca -0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1zgg n ALA 61 Cb 0.00 -3.69 -0.00 0.00 0.00 0.00 0.00 19.45 15.76 1zgg n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1zgg n LEU 62 N -3.25 4.35 -3.66 0.00 0.00 -1.26 -4.99 117.00 108.19 1zgg n LEU 62 Ca -0.09 1.21 -0.07 0.00 0.00 0.00 0.00 56.01 57.06 1zgg n LEU 62 Cb 0.59 -1.58 -0.08 0.00 0.00 0.00 0.00 43.42 42.35 1zgg n LEU 62 CO 0.62 -0.03 0.17 0.21 0.00 0.00 0.00 177.39 178.36 1zgg s ASN 63 N -0.09 -0.71 -0.10 1.96 3.84 -1.26 -4.92 114.94 113.66 1zgg s ASN 63 Ca 0.56 1.24 -0.21 0.00 0.21 0.00 0.00 52.86 54.66 1zgg s ASN 63 Cb -0.51 1.45 0.05 0.00 -0.55 0.00 0.00 41.25 41.69 1zgg s ASN 63 CO 0.61 -0.22 0.50 -2.28 -2.79 0.00 0.00 177.10 172.92 1zgg s HIS 64 N 2.14 -0.48 -0.10 0.43 5.65 -1.26 -5.04 115.29 116.63 1zgg s HIS 64 Ca -0.07 1.00 0.01 0.00 0.25 0.00 0.00 55.06 56.25 1zgg s HIS 64 Cb -0.09 0.22 0.02 0.00 -1.18 0.00 0.00 32.58 31.55 1zgg s HIS 64 CO -0.16 -0.40 -0.09 0.08 -0.65 0.00 0.00 174.74 173.52 1zgg s VAL 65 N -0.58 1.08 1.12 0.89 1.01 -1.26 -2.05 120.40 120.62 1zgg s VAL 65 Ca -0.07 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1zgg s VAL 65 Cb -0.03 -1.06 0.22 0.00 0.00 0.00 0.00 36.38 35.52 1zgg s VAL 65 CO 0.04 0.37 0.79 -1.20 0.00 0.00 0.00 175.10 175.10 1zgg n SER 66 N 4.52 -1.63 -3.48 3.32 7.64 0.47 -4.95 113.62 119.52 1zgg n SER 66 Ca -0.17 -0.05 -0.14 0.00 1.01 0.00 0.00 58.87 59.52 1zgg n SER 66 Cb 0.51 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.44 1zgg n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zgg s SER 67 N -2.30 -0.58 0.60 6.43 0.01 -1.24 -3.96 113.70 112.67 1zgg s SER 67 Ca 0.65 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 58.07 1zgg s SER 67 Cb -0.22 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1zgg s SER 67 CO 0.65 -0.75 1.12 -2.16 0.41 0.00 0.00 173.24 172.51 1zgg s PRO 68 N -2.44 3.09 -0.33 12.44 0.04 -1.26 -2.59 135.00 143.96 1zgg s PRO 68 Ca -0.04 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1zgg s PRO 68 Cb -0.01 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1zgg s PRO 68 CO -0.02 -1.04 1.03 -1.17 0.04 0.00 0.00 177.00 175.84 1zgg s LEU 69 N -4.31 3.95 0.21 -3.56 2.96 -0.04 -4.68 118.68 113.21 1zgg s LEU 69 Ca 0.70 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1zgg s LEU 69 Cb -0.22 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1zgg s LEU 69 CO 0.34 -0.85 -0.03 0.42 -1.32 0.00 0.00 176.35 174.91 1zgg s THR 70 N 3.57 1.09 0.33 3.68 -4.23 -1.26 -4.83 115.64 113.99 1zgg s THR 70 Ca 0.43 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1zgg s THR 70 Cb -0.12 -2.24 0.06 0.00 1.34 0.00 0.00 72.50 71.54 1zgg s THR 70 CO 0.16 -0.41 1.76 -0.08 -0.54 0.00 0.00 174.62 175.50 1zgg h GLU 71 N 2.53 0.15 -0.48 3.99 4.81 -1.97 -1.55 114.58 122.06 1zgg h GLU 71 Ca -0.38 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 1zgg h GLU 71 Cb 1.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1zgg h GLU 71 CO 0.64 0.52 -0.13 1.05 -0.73 0.00 0.00 179.01 180.36 1zgg h GLU 72 N 0.13 0.91 -0.30 1.92 4.11 -1.98 0.79 114.58 120.17 1zgg h GLU 72 Ca 0.01 -0.33 -0.07 0.00 0.07 0.00 0.00 59.36 59.04 1zgg h GLU 72 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1zgg h GLU 72 CO 0.06 0.98 -0.10 1.25 0.07 0.00 0.00 179.01 181.26 1zgg h LEU 73 N 0.81 0.61 -0.59 3.06 5.85 -1.77 0.03 115.31 123.30 1zgg h LEU 73 Ca 0.13 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1zgg h LEU 73 Cb 0.66 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1zgg h LEU 73 CO 0.05 0.86 0.26 -0.03 -0.34 0.00 0.00 178.44 179.23 1zgg h MET 74 N 0.35 0.46 0.00 1.25 4.05 -1.01 -0.79 114.93 119.24 1zgg h MET 74 Ca 0.07 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1zgg h MET 74 Cb 0.61 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1zgg h MET 74 CO 0.04 0.30 -0.29 0.93 0.23 0.00 0.00 176.91 178.11 1zgg h GLU 75 N 0.47 0.00 -0.37 0.39 4.39 -0.74 -2.75 114.58 115.97 1zgg h GLU 75 Ca 0.29 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.89 1zgg h GLU 75 Cb 0.30 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1zgg h GLU 75 CO -0.25 0.06 -0.18 0.77 -1.16 0.00 0.00 179.01 178.24 1zgg h SER 76 N 0.00 0.70 -4.47 1.42 0.02 -0.44 -3.45 113.55 107.32 1zgg h SER 76 Ca -0.00 -0.23 -0.47 0.00 -0.84 0.00 0.00 61.79 60.25 1zgg h SER 76 Cb 1.05 -0.19 0.10 0.00 0.14 0.00 0.00 62.40 63.50 1zgg h SER 76 CO 0.01 0.89 0.38 0.00 -1.14 0.00 0.00 176.83 176.96 1zgg s ALA 77 N -4.66 2.74 0.00 3.77 0.00 -0.35 -4.89 121.76 118.37 1zgg s ALA 77 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1zgg s ALA 77 Cb 0.14 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1zgg s ALA 77 CO 0.82 -1.60 0.00 -3.47 0.00 0.00 0.00 175.76 171.50 1zgg n ASP 78 N -3.25 0.98 -3.90 0.00 2.03 0.09 -4.95 116.55 107.56 1zgg n ASP 78 Ca 0.08 -0.16 -0.11 0.00 0.52 0.00 0.00 54.79 55.13 1zgg n ASP 78 Cb 0.61 0.51 -0.12 0.00 -0.72 0.00 0.00 41.12 41.40 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1zgg s LEU 79 N -1.22 1.89 -0.03 -2.67 2.96 -0.25 -4.91 118.68 114.44 1zgg s LEU 79 Ca 0.00 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1zgg s LEU 79 Cb 0.00 0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.99 1zgg s LEU 79 CO 0.00 -0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.03 1zgg s VAL 80 N -0.88 0.86 -0.23 1.68 1.01 -0.17 -1.22 120.40 121.45 1zgg s VAL 80 Ca -0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1zgg s VAL 80 Cb -0.06 -0.77 0.07 0.00 0.00 0.00 0.00 36.38 35.62 1zgg s VAL 80 CO 0.00 0.27 0.03 -0.22 0.00 0.00 0.00 175.10 175.19 1zgg s LEU 81 N 0.28 1.71 0.05 3.92 0.20 0.20 -1.24 118.68 123.80 1zgg s LEU 81 Ca -0.05 -1.10 0.05 0.00 0.69 0.00 0.00 54.13 53.73 1zgg s LEU 81 Cb -0.10 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.85 1zgg s LEU 81 CO 0.01 -0.32 -0.09 0.00 -0.29 0.00 0.00 176.35 175.66 1zgg s ALA 82 N 1.71 2.96 -0.87 5.97 0.00 -0.18 -1.34 121.76 130.00 1zgg s ALA 82 Ca 0.01 -1.13 0.26 0.00 0.00 0.00 0.00 51.96 51.10 1zgg s ALA 82 Cb -0.17 -0.99 0.73 0.00 0.00 0.00 0.00 23.12 22.68 1zgg s ALA 82 CO -0.12 0.63 1.60 -1.33 0.00 0.00 0.00 175.76 176.54 1zgg n MET 83 N 1.17 0.11 -3.94 0.00 2.81 -0.90 -0.27 117.12 116.10 1zgg n MET 83 Ca -0.14 0.05 -0.09 0.00 -1.81 0.00 0.00 57.70 55.71 1zgg n MET 83 Cb 0.52 -1.59 -0.08 0.00 -0.71 0.00 0.00 33.22 31.36 1zgg n MET 83 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1zgg s THR 84 N -3.06 0.14 0.42 2.03 -4.23 -1.26 -4.46 115.64 105.22 1zgg s THR 84 Ca 0.11 -1.39 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1zgg s THR 84 Cb 0.16 -1.52 0.23 0.00 1.34 0.00 0.00 72.50 72.71 1zgg s THR 84 CO 0.64 -0.63 2.02 -0.74 -0.54 0.00 0.00 174.62 175.37 1zgg h HIS 85 N 2.79 0.00 -0.53 3.99 2.76 -1.91 -1.22 115.15 121.03 1zgg h HIS 85 Ca -0.34 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.79 1zgg h HIS 85 Cb 1.19 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 1zgg h HIS 85 CO 0.44 0.17 0.15 0.37 -1.30 0.00 0.00 177.93 177.76 1zgg h GLN 86 N 0.00 0.83 -0.50 5.26 5.75 -1.98 -0.28 115.11 124.18 1zgg h GLN 86 Ca -0.00 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 1zgg h GLN 86 Cb 0.36 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1zgg h GLN 86 CO 0.02 0.78 0.23 0.45 -2.65 0.00 0.00 178.83 177.66 1zgg h HIS 87 N 0.73 0.73 -0.88 3.99 3.86 -1.78 -0.68 115.15 121.12 1zgg h HIS 87 Ca 0.17 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1zgg h HIS 87 Cb 0.30 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1zgg h HIS 87 CO 0.02 0.59 0.56 -0.22 0.86 0.00 0.00 177.93 179.74 1zgg h LYS 88 N 0.67 1.03 -0.23 2.45 3.64 -0.99 -0.59 116.57 122.55 1zgg h LYS 88 Ca 0.17 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1zgg h LYS 88 Cb 0.13 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1zgg h LYS 88 CO -0.02 0.68 -0.38 1.96 -2.27 0.00 0.00 179.45 179.42 1zgg h GLN 89 N 1.06 0.52 -0.30 1.90 4.20 -0.71 -1.29 115.11 120.50 1zgg h GLN 89 Ca 0.37 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1zgg h GLN 89 Cb 0.08 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1zgg h GLN 89 CO -0.14 0.82 0.12 0.82 -0.67 0.00 0.00 178.83 179.78 1zgg h ILE 90 N 0.43 1.18 -0.38 2.54 2.04 -0.22 0.18 117.51 123.28 1zgg h ILE 90 Ca 0.04 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1zgg h ILE 90 Cb 0.86 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1zgg h ILE 90 CO 0.07 0.19 0.12 0.40 0.00 0.00 0.00 178.15 178.93 1zgg h ILE 91 N 0.33 0.86 -0.82 -0.67 2.04 -0.92 -0.34 117.51 118.00 1zgg h ILE 91 Ca 0.10 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1zgg h ILE 91 Cb 0.18 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1zgg h ILE 91 CO -0.01 0.05 0.54 0.00 0.00 0.00 0.00 178.15 178.73 1zgg h ALA 92 N 1.26 1.04 -0.34 1.87 0.00 -1.02 -1.52 119.26 120.54 1zgg h ALA 92 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1zgg h ALA 92 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 92 CO -0.20 0.45 -0.25 0.77 0.00 0.00 0.00 179.25 180.02 1zgg h SER 93 N 1.11 0.69 0.91 0.00 0.02 0.14 0.85 113.55 117.28 1zgg h SER 93 Ca 0.30 -0.25 -0.22 0.00 -0.84 0.00 0.00 61.79 60.77 1zgg h SER 93 Cb -0.13 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1zgg h SER 93 CO -0.07 0.92 -1.10 0.06 -1.14 0.00 0.00 176.83 175.50 1zgg h GLN 94 N 0.59 0.02 -0.01 3.45 3.07 -0.81 -3.36 115.11 118.06 1zgg h GLN 94 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1zgg h GLN 94 Cb 0.74 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1zgg h GLN 94 CO 0.06 0.96 -0.54 1.19 0.09 0.00 0.00 178.83 180.59 1zgg n PHE 95 N -3.33 0.00 -1.46 0.06 3.72 -0.60 -5.01 117.46 110.84 1zgg n PHE 95 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1zgg n PHE 95 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1zgg n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zgg n GLY 96 N 1.30 0.65 3.76 1.37 0.00 -0.37 -4.40 105.19 107.50 1zgg n GLY 96 Ca 0.06 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1zgg n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1zgg n ARG 97 N -0.99 -4.37 0.00 1.61 0.63 0.15 -4.88 116.66 108.81 1zgg n ARG 97 Ca 0.00 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1zgg n ARG 97 Cb 0.41 -4.99 0.00 0.00 0.45 0.00 0.00 32.46 28.33 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1zgg n TYR 98 N -4.29 0.00 0.06 -0.14 4.02 -1.26 -4.47 117.16 111.09 1zgg n TYR 98 Ca -0.30 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 57.80 1zgg n TYR 98 Cb 0.68 -0.07 0.74 0.00 -0.02 0.00 0.00 39.34 40.67 1zgg n TYR 98 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1zgg h ARG 99 N 0.22 0.00 -0.70 -0.72 2.43 -1.90 -2.67 114.38 111.04 1zgg h ARG 99 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1zgg h ARG 99 Cb 0.35 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1zgg h ARG 99 CO 0.00 0.00 0.46 0.22 -1.51 0.00 0.00 179.97 179.14 1zgg h ASP 100 N 0.00 0.50 0.23 -3.80 3.58 -2.01 -0.60 116.42 114.32 1zgg h ASP 100 Ca 0.21 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1zgg h ASP 100 Cb 1.08 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1zgg h ASP 100 CO -0.00 0.29 -0.05 0.29 -2.88 0.00 0.00 179.24 176.89 1zgg n LYS 101 N -4.49 0.88 -4.30 0.28 5.02 -1.01 -4.87 118.16 109.69 1zgg n LYS 101 Ca 0.12 -0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 1zgg n LYS 101 Cb 0.36 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zgg s VAL 102 N -2.28 4.49 0.06 -0.18 1.01 -0.23 -1.00 120.40 122.26 1zgg s VAL 102 Ca 0.36 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1zgg s VAL 102 Cb 0.21 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1zgg s VAL 102 CO 0.42 0.61 -0.07 -0.36 0.00 0.00 0.00 175.10 175.70 1zgg s PHE 103 N -0.89 0.70 0.45 5.22 0.40 -0.37 -4.97 117.98 118.51 1zgg s PHE 103 Ca 0.13 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 1zgg s PHE 103 Cb -0.11 -0.42 -0.06 0.00 0.51 0.00 0.00 43.02 42.93 1zgg s PHE 103 CO 0.03 -0.13 0.82 0.99 0.70 0.00 0.00 175.22 177.63 1zgg s THR 104 N -2.28 4.75 0.10 0.64 2.01 -1.26 -1.02 115.64 118.59 1zgg s THR 104 Ca -0.02 0.69 -0.24 0.00 0.31 0.00 0.00 61.69 62.42 1zgg s THR 104 Cb -0.04 -3.75 -0.12 0.00 0.01 0.00 0.00 72.50 68.59 1zgg s THR 104 CO -0.02 -0.63 1.71 0.25 -0.69 0.00 0.00 174.62 175.24 1zgg h LEU 105 N 0.98 -0.22 -0.16 4.42 5.85 -0.82 0.59 115.31 125.95 1zgg h LEU 105 Ca -0.47 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 1zgg h LEU 105 Cb 1.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1zgg h LEU 105 CO 0.63 -0.13 -0.42 0.11 -0.34 0.00 0.00 178.44 178.29 1zgg h LYS 106 N -0.17 0.56 -0.83 1.25 1.79 -1.80 -3.35 116.57 114.01 1zgg h LYS 106 Ca 0.01 -0.39 0.16 0.00 -2.18 0.00 0.00 60.65 58.24 1zgg h LYS 106 Cb 0.18 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.79 1zgg h LYS 106 CO -0.04 1.01 0.39 1.49 -1.08 0.00 0.00 179.45 181.23 1zgg h GLU 107 N 0.20 0.52 -0.03 3.15 4.81 -0.74 0.24 114.58 122.73 1zgg h GLU 107 Ca -0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1zgg h GLU 107 Cb 1.04 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1zgg h GLU 107 CO 0.09 0.34 0.06 -0.92 -0.73 0.00 0.00 179.01 177.86 1zgg h TYR 108 N 0.54 0.00 0.00 0.92 3.20 -1.03 -2.02 116.97 118.57 1zgg h TYR 108 Ca 0.47 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.29 1zgg h TYR 108 Cb 0.72 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1zgg h TYR 108 CO -0.12 0.00 -0.89 0.28 -1.64 0.00 0.00 178.16 175.79 1zgg n VAL 109 N -3.40 0.57 0.16 1.81 0.31 0.38 -4.76 118.33 113.41 1zgg n VAL 109 Ca -0.02 0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1zgg n VAL 109 Cb 0.14 -1.61 0.08 0.00 -0.91 0.00 0.00 33.84 31.55 1zgg n VAL 109 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1zgg h THR 110 N -0.15 0.23 0.00 2.52 1.35 -0.79 -3.47 112.91 112.59 1zgg h THR 110 Ca -0.07 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1zgg h THR 110 Cb 0.79 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1zgg h THR 110 CO -0.04 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1zgg n GLY 111 N 1.17 0.51 2.97 5.82 0.00 -0.76 -5.02 105.19 109.88 1zgg n GLY 111 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1zgg n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zgg s SER 112 N -2.07 0.37 0.46 1.61 0.01 -1.26 -4.95 113.70 107.88 1zgg s SER 112 Ca 0.00 -0.35 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 1zgg s SER 112 Cb 0.00 0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.19 1zgg s SER 112 CO 0.00 -0.17 1.43 1.57 0.41 0.00 0.00 173.24 176.48 1zgg n HIS 113 N 2.05 2.68 0.00 2.43 -0.00 -1.26 -1.97 115.22 119.16 1zgg n HIS 113 Ca -0.20 0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1zgg n HIS 113 Cb 0.56 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1zgg n HIS 113 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zgg n GLY 114 N 0.59 -0.73 3.20 1.57 0.00 -1.26 -4.86 105.19 103.70 1zgg n GLY 114 Ca 0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1zgg n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zgg s ASP 115 N 0.00 0.22 0.90 1.61 2.15 -1.26 -3.04 116.67 117.25 1zgg s ASP 115 Ca 0.00 -1.20 -0.13 0.00 0.43 0.00 0.00 52.55 51.64 1zgg s ASP 115 Cb 0.00 0.34 0.14 0.00 -0.30 0.00 0.00 42.92 43.10 1zgg s ASP 115 CO 0.00 -0.79 1.20 -0.69 -0.17 0.00 0.00 175.17 174.72 1zgg s VAL 116 N -4.07 1.98 0.13 1.11 1.01 -1.26 -4.88 120.40 114.42 1zgg s VAL 116 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 61.98 61.90 1zgg s VAL 116 Cb 0.07 -2.90 -0.15 0.00 0.00 0.00 0.00 36.38 33.40 1zgg s VAL 116 CO 0.04 0.00 1.45 -0.11 0.00 0.00 0.00 175.10 176.48 1zgg n LEU 117 N -3.64 2.37 -4.43 3.92 0.00 -1.26 -4.97 117.00 108.99 1zgg n LEU 117 Ca 0.10 1.10 -0.44 0.00 0.00 0.00 0.00 56.01 56.77 1zgg n LEU 117 Cb 0.60 -1.31 -0.05 0.00 0.00 0.00 0.00 43.42 42.66 1zgg n LEU 117 CO 0.54 -0.68 0.41 -0.62 0.00 0.00 0.00 177.39 177.04 1zgg s ASP 118 N 0.66 6.21 0.00 1.96 2.15 -1.26 -4.88 116.67 121.51 1zgg s ASP 118 Ca 0.81 -1.06 0.30 0.00 0.43 0.00 0.00 52.55 53.04 1zgg s ASP 118 Cb -0.81 -2.31 1.56 0.00 -0.30 0.00 0.00 42.92 41.05 1zgg s ASP 118 CO 0.43 -1.03 2.04 -0.81 -0.17 0.00 0.00 175.17 175.64 1zgg n PRO 119 N 6.41 0.89 -1.67 4.34 -0.04 -1.26 -4.93 135.00 138.74 1zgg n PRO 119 Ca -0.07 -0.18 -0.44 0.00 -0.04 0.00 0.00 63.50 62.78 1zgg n PRO 119 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1zgg n PRO 119 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zgg n PHE 120 N -0.90 2.48 -0.18 0.54 7.35 -1.26 -0.47 117.46 125.02 1zgg n PHE 120 Ca 0.19 -0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1zgg n PHE 120 Cb 0.21 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.27 1zgg n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1zgg n GLY 121 N 4.49 0.81 3.94 7.13 0.00 -1.26 -5.07 105.19 115.24 1zgg n GLY 121 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1zgg n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zgg s GLY 122 N -1.64 1.72 0.92 -0.02 0.00 0.38 -5.10 107.32 103.59 1zgg s GLY 122 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 1zgg s GLY 122 CO 0.00 -0.65 1.11 -0.56 0.00 0.00 0.00 173.10 173.00 1zgg s SER 123 N -4.59 3.42 0.46 1.64 0.01 -1.26 -4.87 113.70 108.50 1zgg s SER 123 Ca 0.62 1.14 0.21 0.00 1.31 0.00 0.00 55.95 59.24 1zgg s SER 123 Cb -0.09 -1.79 1.19 0.00 0.21 0.00 0.00 66.02 65.55 1zgg s SER 123 CO 0.45 -2.63 1.89 -0.29 0.41 0.00 0.00 173.24 173.07 1zgg h ILE 124 N -1.55 0.68 -0.67 1.44 6.09 -1.97 0.32 117.51 121.85 1zgg h ILE 124 Ca -0.51 -0.10 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 1zgg h ILE 124 Cb 1.31 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.95 1zgg h ILE 124 CO 0.59 0.05 0.38 -0.78 -3.07 0.00 0.00 178.15 175.33 1zgg h ASP 125 N 0.28 0.81 -0.33 2.19 3.58 -1.97 0.94 116.42 121.92 1zgg h ASP 125 Ca 0.42 -0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.65 1zgg h ASP 125 Cb 1.20 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 1zgg h ASP 125 CO -0.11 0.64 -0.43 0.40 -2.88 0.00 0.00 179.24 176.86 1zgg h ILE 126 N 0.93 1.27 -0.57 2.25 1.08 -1.27 0.13 117.51 121.33 1zgg h ILE 126 Ca 0.24 -1.61 -0.06 0.00 -0.39 0.00 0.00 64.86 63.04 1zgg h ILE 126 Cb -0.00 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1zgg h ILE 126 CO -0.04 0.53 0.10 1.88 -0.69 0.00 0.00 178.15 179.93 1zgg h TYR 127 N 0.72 0.94 -0.44 1.37 0.05 -1.25 -0.71 116.97 117.65 1zgg h TYR 127 Ca 0.05 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 58.62 1zgg h TYR 127 Cb 1.03 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1zgg h TYR 127 CO 0.06 0.81 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.65 1zgg h LYS 128 N 0.86 0.80 -0.63 4.88 3.11 -0.39 0.67 116.57 125.87 1zgg h LYS 128 Ca 0.18 -0.27 -0.07 0.00 -2.81 0.00 0.00 60.65 57.68 1zgg h LYS 128 Cb 0.37 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1zgg h LYS 128 CO 0.01 0.87 0.12 1.96 -2.81 0.00 0.00 179.45 179.60 1zgg h GLN 129 N 0.72 1.04 -0.10 1.90 4.20 -0.40 -2.79 115.11 119.69 1zgg h GLN 129 Ca 0.12 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1zgg h GLN 129 Cb 0.59 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1zgg h GLN 129 CO 0.04 0.96 0.05 1.15 -0.67 0.00 0.00 178.83 180.35 1zgg h THR 130 N 0.95 1.13 -0.07 -0.54 2.02 -0.76 -2.96 112.91 112.69 1zgg h THR 130 Ca 0.19 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1zgg h THR 130 Cb 0.41 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1zgg h THR 130 CO 0.01 0.11 -0.16 0.08 0.37 0.00 0.00 175.52 175.93 1zgg h ARG 131 N 0.02 0.10 -0.28 6.66 0.11 -0.76 0.11 114.38 120.34 1zgg h ARG 131 Ca 0.03 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 1zgg h ARG 131 Cb 0.14 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1zgg h ARG 131 CO -0.00 0.26 -0.18 0.22 0.10 0.00 0.00 179.97 180.37 1zgg h ASP 132 N 0.10 0.65 -0.31 0.08 3.58 -1.39 0.35 116.42 119.47 1zgg h ASP 132 Ca 0.02 -0.43 -0.16 0.00 0.42 0.00 0.00 57.03 56.88 1zgg h ASP 132 Cb 0.34 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1zgg h ASP 132 CO 0.02 0.94 -0.43 -0.08 -2.88 0.00 0.00 179.24 176.81 1zgg h GLU 133 N 0.36 0.83 -0.81 0.28 4.81 -1.23 -2.93 114.58 115.89 1zgg h GLU 133 Ca 0.06 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1zgg h GLU 133 Cb 0.71 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1zgg h GLU 133 CO 0.05 1.12 0.47 1.25 -0.73 0.00 0.00 179.01 181.17 1zgg h LEU 134 N 0.61 1.00 -0.35 1.64 5.85 -0.78 -1.29 115.31 121.98 1zgg h LEU 134 Ca 0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1zgg h LEU 134 Cb 1.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1zgg h LEU 134 CO 0.10 0.79 0.20 -0.08 -0.34 0.00 0.00 178.44 179.11 1zgg h GLU 135 N 1.12 0.49 -0.72 1.25 4.81 -0.87 0.34 114.58 121.00 1zgg h GLU 135 Ca 0.29 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1zgg h GLU 135 Cb -0.01 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1zgg h GLU 135 CO -0.05 0.39 0.23 1.49 -0.73 0.00 0.00 179.01 180.34 1zgg h GLU 136 N 0.45 1.11 -0.36 1.92 4.81 -1.25 0.19 114.58 121.45 1zgg h GLU 136 Ca 0.13 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1zgg h GLU 136 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1zgg h GLU 136 CO -0.02 0.94 0.07 1.25 -0.73 0.00 0.00 179.01 180.52 1zgg h LEU 137 N 1.05 0.56 -1.01 1.64 5.85 -1.01 -2.80 115.31 119.59 1zgg h LEU 137 Ca 0.23 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1zgg h LEU 137 Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1zgg h LEU 137 CO -0.01 0.67 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.36 1zgg h LEU 138 N 0.44 0.00 -0.67 2.25 3.38 -0.45 -0.81 115.31 119.45 1zgg h LEU 138 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1zgg h LEU 138 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1zgg h LEU 138 CO 0.00 0.33 0.20 0.03 0.09 0.00 0.00 178.44 179.09 1zgg h ARG 139 N 0.00 1.04 -0.30 1.13 2.47 -0.86 -1.48 114.38 116.38 1zgg h ARG 139 Ca -0.00 -0.23 -0.08 0.00 -1.26 0.00 0.00 59.98 58.40 1zgg h ARG 139 Cb 0.84 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 1zgg h ARG 139 CO 0.04 0.91 -0.17 1.96 0.56 0.00 0.00 179.97 183.28 1zgg h GLN 140 N 0.98 0.54 -0.25 0.04 1.08 -0.99 -0.18 115.11 116.32 1zgg h GLN 140 Ca 0.21 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1zgg h GLN 140 Cb 0.31 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1zgg h GLN 140 CO -0.01 0.69 0.11 -0.07 -0.95 0.00 0.00 178.83 178.60 1zgg h LEU 141 N 0.49 0.15 -0.63 1.46 4.07 -0.86 -0.48 115.31 119.52 1zgg h LEU 141 Ca 0.08 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 1zgg h LEU 141 Cb 0.57 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1zgg h LEU 141 CO 0.04 0.12 0.11 0.00 -1.08 0.00 0.00 178.44 177.63 1zgg h ALA 142 N 1.14 0.83 -0.24 1.53 0.00 -0.84 -0.08 119.26 121.61 1zgg h ALA 142 Ca 0.11 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1zgg h ALA 142 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1zgg h ALA 142 CO -0.09 0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 179.50 1zgg h LYS 143 N 0.95 0.04 -0.01 0.00 3.64 -0.87 -0.79 116.57 119.52 1zgg h LYS 143 Ca 0.19 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1zgg h LYS 143 Cb 0.42 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1zgg h LYS 143 CO 0.01 0.02 0.00 1.96 -2.27 0.00 0.00 179.45 179.18 1zgg h GLN 144 N 0.04 0.01 -0.25 1.90 4.20 -0.67 -2.28 115.11 118.05 1zgg h GLN 144 Ca 0.11 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1zgg h GLN 144 Cb 0.16 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1zgg h GLN 144 CO -0.21 0.16 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.85 1zgg h LEU 145 N -0.14 0.44 -0.81 1.46 3.38 -0.77 0.99 115.31 119.86 1zgg h LEU 145 Ca 0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1zgg h LEU 145 Cb 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1zgg h LEU 145 CO -0.00 0.64 0.23 0.11 0.09 0.00 0.00 178.44 179.52 1zgg h LYS 146 N 0.41 1.12 -0.04 1.13 1.57 -1.12 -3.23 116.57 116.41 1zgg h LYS 146 Ca 0.07 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1zgg h LYS 146 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1zgg h LYS 146 CO 0.04 0.95 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.62 1zgg h LYS 147 N 1.08 0.09 -1.83 3.15 3.64 -0.62 -3.48 116.57 118.59 1zgg h LYS 147 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1zgg h LYS 147 Cb 0.29 -0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.89 1zgg h LYS 147 CO -0.01 0.52 0.28 0.34 -2.27 0.00 0.00 179.45 178.31 1zgg s ASP 148 N -5.76 -0.61 -0.88 4.20 2.15 0.22 -5.08 116.67 110.92 1zgg s ASP 148 Ca -0.15 1.04 -0.25 0.00 0.43 0.00 0.00 52.55 53.62 1zgg s ASP 148 Cb 0.03 1.01 -0.04 0.00 -0.30 0.00 0.00 42.92 43.61 1zgg s ASP 148 CO 0.69 -0.29 1.94 -0.60 -0.17 0.00 0.00 175.17 176.74 1zgg s ARG 149 N -0.09 2.57 0.00 4.34 3.52 -1.26 -3.99 118.95 124.03 1zgg s ARG 149 Ca -0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1zgg s ARG 149 Cb -0.04 -5.01 0.00 0.00 -1.56 0.00 0.00 34.95 28.34 1zgg s ARG 149 CO 0.00 -3.32 0.37 0.54 -0.81 0.00 0.00 175.30 172.09