#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 1.53 -0.06 6.12 -1.08 -1.25 -1.22 116.67 120.70 1zgg s ASP 2 Ca 0.00 -0.13 0.05 0.00 -0.52 0.00 0.00 52.55 51.95 1zgg s ASP 2 Cb 0.00 -0.21 -0.01 0.00 -1.46 0.00 0.00 42.92 41.24 1zgg s ASP 2 CO 0.00 -0.27 -0.23 -0.63 0.52 0.00 0.00 175.17 174.56 1zgg s ILE 3 N 2.13 2.29 -0.30 4.11 1.01 -0.51 -0.70 121.20 129.23 1zgg s ILE 3 Ca 0.04 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 1zgg s ILE 3 Cb -0.13 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1zgg s ILE 3 CO -0.05 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1zgg s ILE 4 N -0.25 3.49 0.15 2.92 1.01 -0.34 -0.41 121.20 127.77 1zgg s ILE 4 Ca -0.01 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 1zgg s ILE 4 Cb -0.13 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 1zgg s ILE 4 CO 0.03 -0.02 0.99 -0.36 0.00 0.00 0.00 174.94 175.58 1zgg s PHE 5 N 1.38 3.79 -0.09 3.97 0.08 -0.21 -0.52 117.98 126.38 1zgg s PHE 5 Ca -0.01 1.77 -0.06 0.00 0.12 0.00 0.00 56.93 58.75 1zgg s PHE 5 Cb -0.18 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.20 1zgg s PHE 5 CO 0.01 0.04 0.22 0.54 -0.10 0.00 0.00 175.22 175.92 1zgg s VAL 6 N -0.28 -0.02 0.04 -0.44 0.11 -0.46 -1.26 120.40 118.09 1zgg s VAL 6 Ca 0.46 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1zgg s VAL 6 Cb -0.25 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1zgg s VAL 6 CO 0.32 0.04 0.01 0.00 -3.33 0.00 0.00 175.10 172.14 1zgg h THR 8 N 0.76 0.69 -0.33 0.00 1.35 -1.93 -2.04 112.91 111.40 1zgg h THR 8 Ca -0.03 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1zgg h THR 8 Cb 0.09 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1zgg h THR 8 CO 0.04 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1zgg n GLY 9 N -0.23 3.44 5.00 5.82 0.00 -1.26 -0.96 105.19 117.00 1zgg n GLY 9 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1zgg n GLY 9 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1zgg n ASN 10 N 0.03 0.00 0.32 1.61 5.15 -1.25 -4.49 115.26 116.62 1zgg n ASN 10 Ca 0.18 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.37 1zgg n ASN 10 Cb 0.73 0.00 1.04 0.00 -0.53 0.00 0.00 39.78 41.02 1zgg n ASN 10 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1zgg h THR 11 N 0.00 0.04 -0.96 -0.44 1.35 -1.91 -1.77 112.91 109.21 1zgg h THR 11 Ca 0.00 -0.17 0.11 0.00 -0.55 0.00 0.00 66.41 65.80 1zgg h THR 11 Cb 0.00 1.16 -0.08 0.00 -1.73 0.00 0.00 68.15 67.51 1zgg h THR 11 CO 0.00 0.01 0.61 0.00 -0.25 0.00 0.00 175.52 175.89 1zgg n ARG 13 N -4.57 0.00 -0.13 0.00 0.63 -1.14 -4.51 116.66 106.94 1zgg n ARG 13 Ca 0.17 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.05 1zgg n ARG 13 Cb 0.34 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.26 1zgg n ARG 13 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1zgg h SER 14 N 0.00 -0.71 0.91 6.15 0.02 -1.58 -1.49 113.55 116.86 1zgg h SER 14 Ca 0.00 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1zgg h SER 14 Cb 0.00 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1zgg h SER 14 CO 0.00 -0.24 -0.22 1.55 -1.14 0.00 0.00 176.83 176.78 1zgg h PRO 15 N -0.13 0.00 -0.24 3.45 0.13 -1.88 -0.59 132.00 132.74 1zgg h PRO 15 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 1zgg h PRO 15 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1zgg h PRO 15 CO -0.50 0.22 0.07 0.52 -0.23 0.00 0.00 178.00 178.08 1zgg h MET 16 N 0.00 0.38 -0.68 0.86 2.86 -1.66 -1.18 114.93 115.51 1zgg h MET 16 Ca -0.00 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1zgg h MET 16 Cb 0.74 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1zgg h MET 16 CO 0.03 0.47 0.13 0.00 1.06 0.00 0.00 176.91 178.60 1zgg h ALA 17 N 0.89 0.95 -0.10 6.32 0.00 -0.57 -0.11 119.26 126.65 1zgg h ALA 17 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 17 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1zgg h ALA 17 CO -0.00 0.66 0.05 1.49 0.00 0.00 0.00 179.25 181.45 1zgg h GLU 18 N 1.04 0.10 -0.39 0.00 4.81 -1.09 0.89 114.58 119.94 1zgg h GLU 18 Ca 0.21 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1zgg h GLU 18 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1zgg h GLU 18 CO 0.01 0.07 -0.04 0.00 -0.73 0.00 0.00 179.01 178.31 1zgg h ALA 19 N 1.05 0.53 -0.39 2.92 0.00 -0.83 0.46 119.26 123.01 1zgg h ALA 19 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1zgg h ALA 19 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zgg h ALA 19 CO -0.03 0.35 0.07 -0.07 0.00 0.00 0.00 179.25 179.57 1zgg h LEU 20 N 0.54 0.61 -0.55 0.00 3.38 -0.98 -1.72 115.31 116.60 1zgg h LEU 20 Ca 0.11 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1zgg h LEU 20 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1zgg h LEU 20 CO 0.03 0.71 -0.61 0.15 0.09 0.00 0.00 178.44 178.81 1zgg h PHE 21 N 0.49 0.50 -0.49 1.13 3.57 -0.53 0.13 116.94 121.74 1zgg h PHE 21 Ca 0.12 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1zgg h PHE 21 Cb 0.36 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1zgg h PHE 21 CO 0.02 0.90 0.22 0.87 -2.23 0.00 0.00 178.31 178.10 1zgg h LYS 22 N 0.29 0.71 -0.52 1.11 1.57 -0.85 0.19 116.57 119.06 1zgg h LYS 22 Ca -0.01 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1zgg h LYS 22 Cb 1.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1zgg h LYS 22 CO 0.10 0.60 0.18 0.77 -0.57 0.00 0.00 179.45 180.54 1zgg h SER 23 N 0.64 0.73 -0.63 0.86 0.02 -0.92 -1.18 113.55 113.07 1zgg h SER 23 Ca 0.17 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1zgg h SER 23 Cb 0.14 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1zgg h SER 23 CO -0.02 0.73 0.13 0.40 -1.14 0.00 0.00 176.83 176.93 1zgg h ILE 24 N 0.70 1.26 -0.54 3.27 2.04 -0.50 -1.46 117.51 122.28 1zgg h ILE 24 Ca 0.17 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 1zgg h ILE 24 Cb 0.24 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1zgg h ILE 24 CO -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 178.15 178.38 1zgg h ALA 25 N 1.04 0.74 -0.55 1.87 0.00 -0.45 -0.70 119.26 121.22 1zgg h ALA 25 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1zgg h ALA 25 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1zgg h ALA 25 CO 0.01 0.67 0.17 1.49 0.00 0.00 0.00 179.25 181.59 1zgg h GLU 26 N 0.91 0.86 -0.16 0.00 4.81 -0.89 0.13 114.58 120.24 1zgg h GLU 26 Ca 0.14 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1zgg h GLU 26 Cb 0.69 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1zgg h GLU 26 CO 0.05 0.78 -0.57 0.07 -0.73 0.00 0.00 179.01 178.61 1zgg h ARG 27 N 0.77 0.49 0.00 1.92 0.11 -1.12 -3.02 114.38 113.53 1zgg h ARG 27 Ca 0.18 -0.32 -0.03 0.00 0.10 0.00 0.00 59.98 59.91 1zgg h ARG 27 Cb 0.28 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 1zgg h ARG 27 CO -0.01 0.92 -0.16 0.93 0.10 0.00 0.00 179.97 181.76 1zgg h GLU 28 N 0.37 0.00 -0.37 0.08 4.39 -0.89 -3.47 114.58 114.70 1zgg h GLU 28 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1zgg h GLU 28 Cb 1.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1zgg h GLU 28 CO 0.10 0.16 -0.10 0.41 -1.16 0.00 0.00 179.01 178.42 1zgg n GLY 29 N 0.51 0.55 3.78 -3.84 0.00 0.30 -5.06 105.19 101.43 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 -1.13 2.69 -0.14 0.99 1.43 -0.23 -5.02 118.68 117.27 1zgg s LEU 30 Ca 0.00 1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1zgg s LEU 30 Cb 0.00 -4.14 0.04 0.00 0.03 0.00 0.00 46.19 42.12 1zgg s LEU 30 CO 0.00 -2.07 -0.03 0.21 0.23 0.00 0.00 176.35 174.70 1zgg s ASN 31 N -3.65 2.48 0.22 2.29 3.84 -1.26 -4.61 114.94 114.25 1zgg s ASN 31 Ca 0.61 -0.52 -0.07 0.00 0.21 0.00 0.00 52.86 53.09 1zgg s ASN 31 Cb -0.16 -0.73 -0.02 0.00 -0.55 0.00 0.00 41.25 39.79 1zgg s ASN 31 CO 0.55 -0.20 0.30 0.68 -2.79 0.00 0.00 177.10 175.65 1zgg s VAL 32 N 1.76 0.01 0.06 -5.21 -7.23 -1.26 -4.59 120.40 103.94 1zgg s VAL 32 Ca 0.02 -1.67 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1zgg s VAL 32 Cb -0.15 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1zgg s VAL 32 CO -0.07 -0.03 -0.24 0.21 -0.31 0.00 0.00 175.10 174.65 1zgg s ASN 33 N -3.08 2.91 0.06 4.85 2.47 -0.36 -5.01 114.94 116.80 1zgg s ASN 33 Ca 0.29 -0.60 0.01 0.00 0.42 0.00 0.00 52.86 52.98 1zgg s ASN 33 Cb 0.03 -0.24 -0.03 0.00 -1.45 0.00 0.00 41.25 39.56 1zgg s ASN 33 CO 0.09 0.20 -0.06 0.68 -3.72 0.00 0.00 177.10 174.30 1zgg s VAL 34 N -0.87 0.47 0.25 -5.21 -7.23 -1.26 -1.43 120.40 105.12 1zgg s VAL 34 Ca 0.10 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1zgg s VAL 34 Cb -0.10 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1zgg s VAL 34 CO 0.03 -0.74 0.08 -0.13 -0.31 0.00 0.00 175.10 174.02 1zgg s ARG 35 N -3.04 1.39 -0.03 4.82 3.00 0.45 -4.92 118.95 120.62 1zgg s ARG 35 Ca 0.02 -1.74 0.03 0.00 0.00 0.00 0.00 55.73 54.04 1zgg s ARG 35 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 34.95 34.63 1zgg s ARG 35 CO -0.04 -0.26 -0.11 -1.12 0.00 0.00 0.00 175.30 173.77 1zgg s SER 36 N -3.31 1.45 0.34 0.23 0.01 -1.26 -1.05 113.70 110.12 1zgg s SER 36 Ca 0.36 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 1zgg s SER 36 Cb 0.08 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 1zgg s SER 36 CO 0.12 0.08 0.44 0.00 0.41 0.00 0.00 173.24 174.29 1zgg s ALA 37 N 0.22 0.97 -0.01 1.44 0.00 -0.39 -4.63 121.76 119.36 1zgg s ALA 37 Ca -0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1zgg s ALA 37 Cb -0.10 1.22 -0.00 0.00 0.00 0.00 0.00 23.12 24.23 1zgg s ALA 37 CO 0.01 -0.77 0.07 0.20 0.00 0.00 0.00 175.76 175.28 1zgg s GLY 38 N -3.26 0.05 0.56 0.00 0.00 -1.17 -2.69 107.32 100.81 1zgg s GLY 38 Ca 0.32 -0.10 0.30 0.00 0.00 0.00 0.00 44.72 45.24 1zgg s GLY 38 CO 0.22 -0.18 2.16 -0.39 0.00 0.00 0.00 173.10 174.90 1zgg h VAL 39 N 4.68 0.49 0.00 1.40 -1.51 -0.97 -0.48 116.25 119.86 1zgg h VAL 39 Ca -0.29 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 1zgg h VAL 39 Cb 1.20 1.20 -0.17 0.00 -2.13 0.00 0.00 31.29 31.39 1zgg h VAL 39 CO 0.43 0.06 -0.70 0.49 -1.23 0.00 0.00 177.57 176.62 1zgg n PHE 40 N -3.66 0.00 -1.29 5.19 3.72 -0.13 -4.72 117.46 116.57 1zgg n PHE 40 Ca -0.02 -0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 56.61 1zgg n PHE 40 Cb 0.17 -0.13 0.20 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.61 1.10 0.03 4.37 0.00 -1.08 -4.75 121.76 120.81 1zgg s ALA 41 Ca 0.22 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1zgg s ALA 41 Cb 0.24 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 1zgg s ALA 41 CO -0.08 -3.02 -0.05 -1.12 0.00 0.00 0.00 175.76 171.49 1zgg s SER 42 N -3.93 0.51 0.00 0.00 0.01 -1.26 -4.07 113.70 104.96 1zgg s SER 42 Ca 0.69 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1zgg s SER 42 Cb -0.12 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1zgg s SER 42 CO 0.56 -0.24 0.46 -2.65 0.41 0.00 0.00 173.24 171.77 1zgg n PRO 43 N 1.62 0.00 -1.03 12.44 -0.02 -1.26 -1.98 135.00 144.78 1zgg n PRO 43 Ca -0.23 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.27 1zgg n PRO 43 Cb 0.55 -1.49 0.01 0.00 -0.02 0.00 0.00 33.50 32.55 1zgg n PRO 43 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zgg n ASN 44 N -0.96 0.47 -4.82 2.55 5.15 -1.26 -4.65 115.26 111.75 1zgg n ASN 44 Ca 0.00 -1.97 -0.31 0.00 -0.60 0.00 0.00 54.58 51.70 1zgg n ASN 44 Cb 0.00 -0.23 0.05 0.00 -0.53 0.00 0.00 39.78 39.08 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1zgg s GLY 45 N -1.48 1.67 0.18 8.20 0.00 -0.84 -4.92 107.32 110.14 1zgg s GLY 45 Ca 0.17 0.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 1zgg s GLY 45 CO -0.09 0.41 0.48 -1.59 0.00 0.00 0.00 173.10 172.31 1zgg s LYS 46 N -5.03 1.30 0.32 2.90 -2.85 -1.26 -0.40 119.74 114.72 1zgg s LYS 46 Ca 0.58 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 54.43 1zgg s LYS 46 Cb -0.14 0.50 -0.14 0.00 -2.06 0.00 0.00 37.83 35.99 1zgg s LYS 46 CO 0.55 -0.54 0.86 0.00 0.10 0.00 0.00 175.35 176.32 1zgg n ALA 47 N -0.31 -0.72 -1.53 0.59 0.00 -0.56 -4.93 120.51 113.05 1zgg n ALA 47 Ca -0.11 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.34 1zgg n ALA 47 Cb 0.63 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.16 3.66 -1.88 0.00 -4.23 -1.26 -4.86 115.64 105.90 1zgg s THR 48 Ca 0.61 0.67 0.10 0.00 -1.18 0.00 0.00 61.69 61.89 1zgg s THR 48 Cb -0.69 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.18 1zgg s THR 48 CO 0.59 -0.57 1.09 -0.81 -0.54 0.00 0.00 174.62 174.38 1zgg n PRO 49 N -2.66 0.29 -0.00 3.99 -0.04 -1.26 -2.08 135.00 133.23 1zgg n PRO 49 Ca 0.09 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1zgg n PRO 49 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1zgg n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1zgg n HIS 50 N -1.06 0.00 0.02 0.54 8.25 -1.26 -4.04 115.22 117.66 1zgg n HIS 50 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1zgg n HIS 50 Cb 0.05 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 0.02 0.04 -0.68 -1.41 0.00 -1.93 -0.42 119.26 114.88 1zgg h ALA 51 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1zgg h ALA 51 Cb 1.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1zgg h ALA 51 CO -0.00 -0.41 0.25 -0.24 0.00 0.00 0.00 179.25 178.85 1zgg h VAL 52 N -0.05 1.24 -0.31 0.00 3.04 -1.68 -1.57 116.25 116.92 1zgg h VAL 52 Ca 0.01 -0.78 -0.16 0.00 -1.01 0.00 0.00 66.70 64.76 1zgg h VAL 52 Cb 0.10 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1zgg h VAL 52 CO -0.00 0.31 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.36 1zgg h GLU 53 N 0.99 0.79 -0.46 4.17 4.81 -1.67 0.11 114.58 123.32 1zgg h GLU 53 Ca 0.23 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1zgg h GLU 53 Cb 0.22 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1zgg h GLU 53 CO -0.02 1.06 0.25 0.00 -0.73 0.00 0.00 179.01 179.58 1zgg h ALA 54 N 0.87 0.59 0.00 2.92 0.00 -0.58 0.14 119.26 123.20 1zgg h ALA 54 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zgg h ALA 54 Cb 1.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1zgg h ALA 54 CO 0.10 0.12 -0.00 -0.07 0.00 0.00 0.00 179.25 179.39 1zgg h LEU 55 N 0.61 0.00 -0.40 0.00 -0.00 -1.14 -1.47 115.31 112.90 1zgg h LEU 55 Ca 0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.86 1zgg h LEU 55 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1zgg h LEU 55 CO -0.03 0.00 -0.59 0.15 -0.00 0.00 0.00 178.44 177.97 1zgg h PHE 56 N 0.00 0.85 -0.71 1.13 3.04 -0.23 0.13 116.94 121.15 1zgg h PHE 56 Ca -0.00 -0.32 -0.07 0.00 3.98 0.00 0.00 57.97 61.57 1zgg h PHE 56 Cb 0.86 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1zgg h PHE 56 CO 0.00 1.09 0.19 1.49 -2.02 0.00 0.00 178.31 179.06 1zgg h GLU 57 N 0.50 1.13 0.00 1.11 4.57 -0.66 -0.25 114.58 120.98 1zgg h GLU 57 Ca -0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1zgg h GLU 57 Cb 1.17 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1zgg h GLU 57 CO 0.12 0.98 0.00 1.17 -1.18 0.00 0.00 179.01 180.10 1zgg n LYS 58 N -4.24 0.02 -2.99 1.92 4.81 -0.58 -4.90 118.16 112.20 1zgg n LYS 58 Ca 0.05 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1zgg n LYS 58 Cb 0.25 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.86 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 -1.48 -1.53 -0.00 5.64 -0.00 -0.10 -4.95 115.22 112.81 1zgg n HIS 59 Ca 0.04 0.63 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1zgg n HIS 59 Cb 0.15 -4.00 -0.00 0.00 -0.00 0.00 0.00 29.99 26.13 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 -3.25 0.01 -3.64 3.57 5.41 0.38 -5.01 119.36 116.83 1zgg n ILE 60 Ca -0.16 -0.01 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 1zgg n ILE 60 Cb 0.60 -0.01 0.04 0.00 -0.71 0.00 0.00 39.64 39.57 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 -1.68 -2.48 -0.22 -1.39 0.00 -0.94 -4.86 120.51 108.95 1zgg n ALA 61 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1zgg n ALA 61 Cb 0.18 -4.06 0.02 0.00 0.00 0.00 0.00 19.45 15.58 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 -4.09 -0.38 -1.48 0.00 0.00 -1.26 -4.90 117.00 104.90 1zgg n LEU 62 Ca -0.12 0.98 0.00 0.00 0.00 0.00 0.00 56.01 56.87 1zgg n LEU 62 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1zgg n LEU 62 CO 0.67 -0.87 -0.18 0.59 0.00 0.00 0.00 177.39 177.60 1zgg n ASN 63 N -4.81 -2.40 -4.09 1.96 3.02 -1.26 -5.01 115.26 102.67 1zgg n ASN 63 Ca 0.05 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.61 1zgg n ASN 63 Cb 0.22 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1zgg n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1zgg s HIS 64 N -0.36 0.78 -0.10 3.10 5.65 -1.26 -5.04 115.29 118.05 1zgg s HIS 64 Ca 0.00 -0.52 0.01 0.00 0.25 0.00 0.00 55.06 54.80 1zgg s HIS 64 Cb 0.00 -0.46 0.02 0.00 -1.18 0.00 0.00 32.58 30.96 1zgg s HIS 64 CO 0.00 -0.06 -0.13 0.08 -0.65 0.00 0.00 174.74 173.97 1zgg s VAL 65 N -1.53 1.35 1.19 0.89 1.01 -1.26 -1.50 120.40 120.55 1zgg s VAL 65 Ca -0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1zgg s VAL 65 Cb -0.09 -1.26 0.29 0.00 0.00 0.00 0.00 36.38 35.32 1zgg s VAL 65 CO 0.00 0.41 1.02 -0.44 0.00 0.00 0.00 175.10 176.10 1zgg s SER 66 N 1.08 0.86 0.00 3.32 0.01 0.47 -4.96 113.70 114.47 1zgg s SER 66 Ca -0.05 1.32 -0.28 0.00 1.31 0.00 0.00 55.95 58.24 1zgg s SER 66 Cb -0.15 -2.03 0.08 0.00 0.21 0.00 0.00 66.02 64.13 1zgg s SER 66 CO -0.02 -4.24 0.72 -0.44 0.41 0.00 0.00 173.24 169.66 1zgg s SER 67 N -2.78 -0.57 0.62 2.44 0.01 -1.24 -4.00 113.70 108.18 1zgg s SER 67 Ca 0.68 0.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.19 1zgg s SER 67 Cb -0.22 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 1zgg s SER 67 CO 0.63 -0.68 1.09 -2.16 0.41 0.00 0.00 173.24 172.53 1zgg s PRO 68 N -2.09 3.05 -0.39 12.44 0.04 -1.26 -3.03 135.00 143.77 1zgg s PRO 68 Ca -0.05 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1zgg s PRO 68 Cb -0.00 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1zgg s PRO 68 CO 0.01 -1.04 1.04 -1.17 0.04 0.00 0.00 177.00 175.87 1zgg s LEU 69 N -4.61 3.87 0.25 -3.56 2.96 -0.20 -4.74 118.68 112.66 1zgg s LEU 69 Ca 0.66 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 55.29 1zgg s LEU 69 Cb -0.19 -3.43 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1zgg s LEU 69 CO 0.38 -1.00 -0.03 0.42 -1.32 0.00 0.00 176.35 174.80 1zgg s THR 70 N 3.85 1.32 0.30 3.68 -4.23 -1.26 -4.83 115.64 114.47 1zgg s THR 70 Ca 0.43 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 1zgg s THR 70 Cb -0.10 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1zgg s THR 70 CO 0.22 -0.33 1.71 -0.08 -0.54 0.00 0.00 174.62 175.60 1zgg h GLU 71 N 2.39 0.21 -0.49 3.99 4.81 -1.98 -1.68 114.58 121.83 1zgg h GLU 71 Ca -0.39 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1zgg h GLU 71 Cb 1.23 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1zgg h GLU 71 CO 0.66 0.59 -0.03 1.05 -0.73 0.00 0.00 179.01 180.55 1zgg h GLU 72 N 0.18 0.83 -0.33 1.92 4.11 -1.98 0.13 114.58 119.44 1zgg h GLU 72 Ca 0.02 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.11 1zgg h GLU 72 Cb 0.81 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1zgg h GLU 72 CO 0.06 0.86 -0.13 1.25 0.07 0.00 0.00 179.01 181.11 1zgg h LEU 73 N 0.77 0.68 -0.54 3.06 5.85 -1.75 -0.61 115.31 122.78 1zgg h LEU 73 Ca 0.14 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1zgg h LEU 73 Cb 0.51 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1zgg h LEU 73 CO 0.03 0.93 0.25 -0.03 -0.34 0.00 0.00 178.44 179.27 1zgg h MET 74 N 0.44 0.45 -0.22 1.25 4.05 -0.96 -0.73 114.93 119.21 1zgg h MET 74 Ca 0.08 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 1zgg h MET 74 Cb 0.66 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1zgg h MET 74 CO 0.04 0.30 -0.35 0.93 0.23 0.00 0.00 176.91 178.07 1zgg h GLU 75 N 0.47 0.48 -0.25 0.39 5.08 -0.61 -3.05 114.58 117.08 1zgg h GLU 75 Ca 0.25 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1zgg h GLU 75 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1zgg h GLU 75 CO -0.20 0.77 -0.40 0.77 -1.00 0.00 0.00 179.01 178.94 1zgg h SER 76 N 0.41 0.62 -3.77 1.42 0.02 -0.47 -3.45 113.55 108.32 1zgg h SER 76 Ca 0.05 -0.27 -0.46 0.00 -0.84 0.00 0.00 61.79 60.26 1zgg h SER 76 Cb 0.80 -0.17 0.12 0.00 0.14 0.00 0.00 62.40 63.29 1zgg h SER 76 CO 0.07 0.95 0.33 0.00 -1.14 0.00 0.00 176.83 177.03 1zgg s ALA 77 N -4.25 2.75 0.00 3.77 0.00 -0.34 -4.97 121.76 118.72 1zgg s ALA 77 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1zgg s ALA 77 Cb 0.12 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1zgg s ALA 77 CO 0.83 -1.89 0.00 -3.47 0.00 0.00 0.00 175.76 171.22 1zgg n ASP 78 N -3.35 0.75 -3.91 0.00 2.03 0.12 -4.96 116.55 107.24 1zgg n ASP 78 Ca 0.12 -0.19 -0.11 0.00 0.52 0.00 0.00 54.79 55.13 1zgg n ASP 78 Cb 0.60 0.54 -0.12 0.00 -0.72 0.00 0.00 41.12 41.42 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 1.90 -0.03 -2.67 2.96 -0.01 -4.91 118.68 114.70 1zgg s LEU 79 Ca 0.00 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1zgg s LEU 79 Cb 0.00 0.28 -0.00 0.00 0.50 0.00 0.00 46.19 46.97 1zgg s LEU 79 CO 0.00 -0.22 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.00 1zgg s VAL 80 N -0.90 1.01 -0.30 1.68 1.01 -0.26 -1.20 120.40 121.44 1zgg s VAL 80 Ca -0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1zgg s VAL 80 Cb -0.06 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.54 1zgg s VAL 80 CO 0.00 0.30 0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1zgg s LEU 81 N 0.06 1.66 -0.14 3.92 0.20 0.32 -0.97 118.68 123.73 1zgg s LEU 81 Ca -0.02 -1.53 -0.07 0.00 0.69 0.00 0.00 54.13 53.20 1zgg s LEU 81 Cb -0.09 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1zgg s LEU 81 CO 0.01 -0.42 0.11 0.00 -0.29 0.00 0.00 176.35 175.75 1zgg s ALA 82 N 1.77 3.69 0.34 5.97 0.00 -0.09 -1.35 121.76 132.09 1zgg s ALA 82 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1zgg s ALA 82 Cb -0.17 -1.94 0.61 0.00 0.00 0.00 0.00 23.12 21.62 1zgg s ALA 82 CO -0.29 0.45 1.99 0.52 0.00 0.00 0.00 175.76 178.44 1zgg h MET 83 N 5.61 0.87 -4.92 0.00 0.00 -1.47 0.11 114.93 115.14 1zgg h MET 83 Ca -0.49 -0.05 -0.29 0.00 0.00 0.00 0.00 59.70 58.86 1zgg h MET 83 Cb 1.20 -0.20 -0.15 0.00 0.00 0.00 0.00 31.60 32.45 1zgg h MET 83 CO 0.63 0.58 -0.71 0.95 0.00 0.00 0.00 176.91 178.36 1zgg s THR 84 N -5.76 0.98 0.40 2.22 -4.23 -1.26 -4.07 115.64 103.90 1zgg s THR 84 Ca -0.10 -1.92 0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1zgg s THR 84 Cb 0.18 -1.68 0.16 0.00 1.34 0.00 0.00 72.50 72.49 1zgg s THR 84 CO 0.77 -0.74 1.92 -0.74 -0.54 0.00 0.00 174.62 175.29 1zgg h HIS 85 N 3.02 0.17 -0.50 3.99 2.76 -1.87 -1.29 115.15 121.42 1zgg h HIS 85 Ca -0.36 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.80 1zgg h HIS 85 Cb 1.18 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 1zgg h HIS 85 CO 0.63 0.33 0.31 0.37 -1.30 0.00 0.00 177.93 178.27 1zgg h GLN 86 N 0.15 0.61 -0.47 5.26 5.75 -1.98 0.85 115.11 125.27 1zgg h GLN 86 Ca 0.03 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1zgg h GLN 86 Cb 0.40 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1zgg h GLN 86 CO 0.03 0.40 0.30 0.45 -2.65 0.00 0.00 178.83 177.36 1zgg h HIS 87 N 0.63 0.61 -0.94 3.99 3.86 -1.76 -0.36 115.15 121.18 1zgg h HIS 87 Ca 0.20 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1zgg h HIS 87 Cb -0.02 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 1zgg h HIS 87 CO -0.06 0.40 0.60 -0.22 0.86 0.00 0.00 177.93 179.51 1zgg h LYS 88 N 0.64 1.09 -0.20 2.45 3.64 -0.53 -0.20 116.57 123.47 1zgg h LYS 88 Ca 0.17 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 1zgg h LYS 88 Cb -0.05 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1zgg h LYS 88 CO -0.04 0.72 -0.50 1.96 -2.27 0.00 0.00 179.45 179.33 1zgg h GLN 89 N 1.13 0.54 -0.06 1.90 1.08 -0.42 -0.94 115.11 118.33 1zgg h GLN 89 Ca 0.39 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1zgg h GLN 89 Cb 0.09 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1zgg h GLN 89 CO -0.15 0.92 0.03 0.82 -0.95 0.00 0.00 178.83 179.50 1zgg h ILE 90 N 0.42 1.10 -0.32 2.54 2.04 -0.31 -1.94 117.51 121.05 1zgg h ILE 90 Ca 0.02 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1zgg h ILE 90 Cb 1.03 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1zgg h ILE 90 CO 0.09 0.08 -0.03 0.40 0.00 0.00 0.00 178.15 178.70 1zgg h ILE 91 N -0.01 0.73 0.00 -0.67 2.04 -0.91 0.13 117.51 118.82 1zgg h ILE 91 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1zgg h ILE 91 Cb 0.11 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zgg h ILE 91 CO -0.00 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1zgg n ALA 92 N -2.51 1.78 0.00 1.87 0.00 -0.37 -1.63 120.51 119.64 1zgg n ALA 92 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1zgg n ALA 92 Cb 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1zgg n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zgg n SER 93 N -1.24 4.70 0.12 0.00 7.64 -0.38 -2.79 113.62 121.66 1zgg n SER 93 Ca 0.06 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.76 1zgg n SER 93 Cb 0.09 0.91 -0.15 0.00 -1.01 0.00 0.00 64.21 64.05 1zgg n SER 93 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1zgg h GLN 94 N 0.00 0.35 0.00 1.43 3.07 -0.55 -3.32 115.11 116.09 1zgg h GLN 94 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 58.65 58.14 1zgg h GLN 94 Cb 0.06 0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1zgg h GLN 94 CO 0.00 1.29 -1.00 1.19 0.09 0.00 0.00 178.83 180.40 1zgg n PHE 95 N -3.59 0.04 -1.83 0.06 3.72 -0.65 -5.08 117.46 110.13 1zgg n PHE 95 Ca -0.11 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.32 1zgg n PHE 95 Cb 1.05 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.46 -2.09 2.26 1.37 0.00 -1.21 -4.60 105.19 102.39 1zgg n GLY 96 Ca 0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 1zgg n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zgg n ARG 97 N -1.07 0.81 0.00 1.61 3.00 -1.12 -4.17 116.66 115.71 1zgg n ARG 97 Ca 0.00 -0.39 0.01 0.00 -0.01 0.00 0.00 57.85 57.46 1zgg n ARG 97 Cb 0.07 -1.68 0.08 0.00 0.00 0.00 0.00 32.46 30.92 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1zgg n TYR 98 N 2.73 0.00 -0.64 -1.55 4.02 -1.26 -4.26 117.16 116.20 1zgg n TYR 98 Ca 0.17 0.00 0.50 0.00 -0.01 0.00 0.00 57.90 58.56 1zgg n TYR 98 Cb 0.37 -0.20 0.79 0.00 -0.02 0.00 0.00 39.34 40.29 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 0.00 0.01 -0.77 -0.72 2.43 -1.89 -1.39 114.38 112.04 1zgg h ARG 99 Ca 0.00 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1zgg h ARG 99 Cb 0.02 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1zgg h ARG 99 CO 0.00 0.00 0.51 0.22 -1.51 0.00 0.00 179.97 179.19 1zgg h ASP 100 N 0.01 0.48 0.85 -3.80 3.58 -1.97 -0.49 116.42 115.06 1zgg h ASP 100 Ca 0.91 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.38 1zgg h ASP 100 Cb 3.51 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 44.49 1zgg h ASP 100 CO -0.10 0.26 -0.11 0.29 -2.88 0.00 0.00 179.24 176.69 1zgg n LYS 101 N -4.50 0.05 -3.73 0.28 5.02 -0.52 -4.85 118.16 109.90 1zgg n LYS 101 Ca 0.14 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 1zgg n LYS 101 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.96 5.35 0.03 -0.18 1.01 -0.19 -1.11 120.40 122.34 1zgg s VAL 102 Ca 0.15 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1zgg s VAL 102 Cb 0.19 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1zgg s VAL 102 CO 0.56 0.58 -0.13 -0.36 0.00 0.00 0.00 175.10 175.75 1zgg s PHE 103 N -0.86 1.13 0.64 5.22 0.40 -0.15 -4.96 117.98 119.40 1zgg s PHE 103 Ca 0.17 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1zgg s PHE 103 Cb -0.13 -0.68 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1zgg s PHE 103 CO 0.06 0.02 1.07 0.99 0.70 0.00 0.00 175.22 178.06 1zgg s THR 104 N -0.75 3.74 0.13 0.64 2.01 -1.26 -0.91 115.64 119.24 1zgg s THR 104 Ca 0.01 0.75 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 1zgg s THR 104 Cb -0.07 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1zgg s THR 104 CO 0.01 -0.56 1.73 0.25 -0.69 0.00 0.00 174.62 175.35 1zgg h LEU 105 N 0.03 -0.05 -0.16 4.42 5.85 -0.87 -0.70 115.31 123.83 1zgg h LEU 105 Ca -0.46 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.07 1zgg h LEU 105 Cb 1.22 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1zgg h LEU 105 CO 0.56 0.00 -0.95 0.11 -0.34 0.00 0.00 178.44 177.82 1zgg h LYS 106 N 0.08 0.40 -0.88 1.25 1.79 -1.63 -3.34 116.57 114.25 1zgg h LYS 106 Ca 0.09 -0.44 0.12 0.00 -2.18 0.00 0.00 60.65 58.24 1zgg h LYS 106 Cb 0.11 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 30.80 1zgg h LYS 106 CO -0.15 1.11 0.50 1.49 -1.08 0.00 0.00 179.45 181.32 1zgg h GLU 107 N 0.22 0.77 0.00 3.15 4.81 -0.34 0.22 114.58 123.41 1zgg h GLU 107 Ca -0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1zgg h GLU 107 Cb 1.59 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1zgg h GLU 107 CO 0.16 0.51 0.00 -0.92 -0.73 0.00 0.00 179.01 178.03 1zgg h TYR 108 N 0.79 0.00 0.00 0.92 3.20 -1.29 -2.76 116.97 117.84 1zgg h TYR 108 Ca 0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1zgg h TYR 108 Cb 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1zgg h TYR 108 CO -0.05 0.00 -0.59 0.28 -1.64 0.00 0.00 178.16 176.16 1zgg n VAL 109 N -2.51 0.30 0.43 1.81 0.31 0.12 -4.81 118.33 113.99 1zgg n VAL 109 Ca -0.01 0.10 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 1zgg n VAL 109 Cb 0.12 -1.36 0.08 0.00 -0.91 0.00 0.00 33.84 31.77 1zgg n VAL 109 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1zgg n THR 110 N -3.09 0.38 -0.81 2.52 -2.24 0.55 -4.96 114.28 106.63 1zgg n THR 110 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1zgg n THR 110 Cb 0.29 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1zgg n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zgg n GLY 111 N 1.30 0.60 2.95 3.38 0.00 -1.04 -5.02 105.19 107.37 1zgg n GLY 111 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.03 0.50 0.43 1.61 0.01 -1.26 -4.93 113.70 108.03 1zgg s SER 112 Ca 0.00 -0.14 -0.26 0.00 1.31 0.00 0.00 55.95 56.86 1zgg s SER 112 Cb 0.00 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 1zgg s SER 112 CO 0.00 0.01 1.46 -1.00 0.41 0.00 0.00 173.24 174.12 1zgg s HIS 113 N -0.28 2.47 0.00 2.43 0.09 -1.26 -1.64 115.29 117.10 1zgg s HIS 113 Ca -0.00 1.21 0.00 0.00 -0.00 0.00 0.00 55.06 56.27 1zgg s HIS 113 Cb -0.03 -3.99 0.00 0.00 -0.00 0.00 0.00 32.58 28.57 1zgg s HIS 113 CO -0.00 -3.05 0.00 0.41 -0.00 0.00 0.00 174.74 172.10 1zgg n GLY 114 N 0.52 0.03 3.21 -2.22 0.00 -1.26 -4.84 105.19 100.63 1zgg n GLY 114 Ca 0.04 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 0.64 0.79 1.61 2.15 -1.26 -1.96 116.67 118.63 1zgg s ASP 115 Ca 0.00 -1.28 -0.10 0.00 0.43 0.00 0.00 52.55 51.60 1zgg s ASP 115 Cb 0.00 0.25 0.09 0.00 -0.30 0.00 0.00 42.92 42.96 1zgg s ASP 115 CO 0.00 -0.72 1.13 -0.69 -0.17 0.00 0.00 175.17 174.72 1zgg s VAL 116 N -3.93 2.11 0.11 1.11 1.01 -1.26 -4.87 120.40 114.67 1zgg s VAL 116 Ca 0.30 -0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.80 1zgg s VAL 116 Cb 0.07 -2.98 -0.17 0.00 0.00 0.00 0.00 36.38 33.31 1zgg s VAL 116 CO 0.07 0.00 1.26 -0.11 0.00 0.00 0.00 175.10 176.32 1zgg n LEU 117 N -3.22 1.50 -4.42 3.92 -0.00 -1.26 -4.97 117.00 108.55 1zgg n LEU 117 Ca 0.09 1.13 -0.44 0.00 -0.00 0.00 0.00 56.01 56.79 1zgg n LEU 117 Cb 0.61 -1.18 -0.07 0.00 -0.00 0.00 0.00 43.42 42.77 1zgg n LEU 117 CO 0.53 -1.19 0.13 -0.62 -0.00 0.00 0.00 177.39 176.24 1zgg s ASP 118 N 0.28 6.18 0.00 1.96 2.15 -1.26 -4.85 116.67 121.13 1zgg s ASP 118 Ca 0.81 -1.12 0.28 0.00 0.43 0.00 0.00 52.55 52.95 1zgg s ASP 118 Cb -0.93 -2.22 1.04 0.00 -0.30 0.00 0.00 42.92 40.51 1zgg s ASP 118 CO 0.49 -0.71 1.74 -0.81 -0.17 0.00 0.00 175.17 175.71 1zgg n PRO 119 N 5.56 0.91 -1.64 4.34 -0.04 -1.26 -4.95 135.00 137.91 1zgg n PRO 119 Ca -0.10 -0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 62.49 1zgg n PRO 119 Cb 0.45 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.67 2.31 -0.02 0.54 7.35 -1.26 -0.46 117.46 125.25 1zgg n PHE 120 Ca 0.15 -0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1zgg n PHE 120 Cb 0.31 -2.76 0.00 0.00 0.35 0.00 0.00 39.48 37.37 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 4.97 0.31 3.96 7.13 0.00 -1.26 -5.09 105.19 115.21 1zgg n GLY 121 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.63 1.76 0.91 -0.02 0.00 0.40 -5.11 107.32 103.63 1zgg s GLY 122 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.17 1zgg s GLY 122 CO 0.00 -0.84 1.17 -1.35 0.00 0.00 0.00 173.10 172.08 1zgg s SER 123 N -4.73 3.52 0.41 1.64 1.04 -1.26 -4.90 113.70 109.42 1zgg s SER 123 Ca 0.67 0.81 0.18 0.00 0.48 0.00 0.00 55.95 58.09 1zgg s SER 123 Cb -0.06 -1.28 1.08 0.00 0.10 0.00 0.00 66.02 65.86 1zgg s SER 123 CO 0.47 -2.53 1.83 -0.29 0.98 0.00 0.00 173.24 173.70 1zgg h ILE 124 N -1.48 0.63 -0.69 -1.02 6.09 -1.95 -0.35 117.51 118.74 1zgg h ILE 124 Ca -0.48 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1zgg h ILE 124 Cb 1.32 0.18 -0.03 0.00 0.47 0.00 0.00 36.82 38.75 1zgg h ILE 124 CO 0.58 0.08 0.44 -0.78 -3.07 0.00 0.00 178.15 175.40 1zgg h ASP 125 N 0.42 0.80 -0.16 2.19 3.58 -1.96 0.16 116.42 121.45 1zgg h ASP 125 Ca 0.51 -0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.75 1zgg h ASP 125 Cb 1.27 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1zgg h ASP 125 CO -0.21 0.60 -0.59 0.40 -2.88 0.00 0.00 179.24 176.56 1zgg h ILE 126 N 0.94 1.29 -0.22 2.25 1.08 -1.41 0.31 117.51 121.74 1zgg h ILE 126 Ca 0.25 -1.79 -0.10 0.00 -0.39 0.00 0.00 64.86 62.83 1zgg h ILE 126 Cb -0.08 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1zgg h ILE 126 CO -0.05 0.57 -0.28 1.88 -0.69 0.00 0.00 178.15 179.59 1zgg h TYR 127 N 0.58 0.48 -0.34 1.37 -1.99 -1.26 -0.74 116.97 115.07 1zgg h TYR 127 Ca 0.00 -0.11 -0.13 0.00 2.00 0.00 0.00 58.73 60.50 1zgg h TYR 127 Cb 1.18 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 1zgg h TYR 127 CO 0.07 0.67 -0.31 -0.22 -0.00 0.00 0.00 178.16 178.36 1zgg h LYS 128 N 0.38 0.74 -0.24 4.88 3.11 -0.28 0.14 116.57 125.29 1zgg h LYS 128 Ca 0.05 -0.34 -0.02 0.00 -2.81 0.00 0.00 60.65 57.54 1zgg h LYS 128 Cb 0.68 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1zgg h LYS 128 CO 0.05 0.95 0.09 1.96 -2.81 0.00 0.00 179.45 179.69 1zgg h GLN 129 N 0.62 0.37 -0.15 1.90 4.20 -0.76 -2.93 115.11 118.36 1zgg h GLN 129 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1zgg h GLN 129 Cb 0.84 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1zgg h GLN 129 CO 0.07 0.44 0.10 1.15 -0.67 0.00 0.00 178.83 179.91 1zgg h THR 130 N 0.23 1.04 0.00 -0.54 2.02 -0.79 -2.66 112.91 112.21 1zgg h THR 130 Ca 0.08 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1zgg h THR 130 Cb 0.21 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1zgg h THR 130 CO -0.00 0.04 -0.23 0.08 0.37 0.00 0.00 175.52 175.77 1zgg h ARG 131 N 0.20 0.00 -0.36 6.66 -0.00 -0.74 0.13 114.38 120.26 1zgg h ARG 131 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.87 1zgg h ARG 131 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.94 1zgg h ARG 131 CO -0.01 0.23 -0.40 0.22 -0.00 0.00 0.00 179.97 180.01 1zgg h ASP 132 N 0.00 0.98 -0.22 0.08 3.58 -1.29 0.35 116.42 119.89 1zgg h ASP 132 Ca -0.00 -0.48 -0.07 0.00 0.42 0.00 0.00 57.03 56.90 1zgg h ASP 132 Cb 0.57 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1zgg h ASP 132 CO 0.03 1.26 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.44 1zgg h GLU 133 N 0.72 0.49 -0.84 0.28 4.81 -1.19 -2.93 114.58 115.92 1zgg h GLU 133 Ca 0.05 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1zgg h GLU 133 Cb 1.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1zgg h GLU 133 CO 0.10 0.77 0.38 1.25 -0.73 0.00 0.00 179.01 180.78 1zgg h LEU 134 N 0.19 1.12 -0.41 1.64 5.85 -0.71 -0.97 115.31 122.02 1zgg h LEU 134 Ca 0.05 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1zgg h LEU 134 Cb 0.64 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1zgg h LEU 134 CO 0.04 0.96 0.04 -0.08 -0.34 0.00 0.00 178.44 179.06 1zgg h GLU 135 N 1.21 0.69 -0.62 1.25 4.81 -0.95 0.63 114.58 121.59 1zgg h GLU 135 Ca 0.29 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1zgg h GLU 135 Cb 0.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1zgg h GLU 135 CO -0.03 0.75 0.08 1.49 -0.73 0.00 0.00 179.01 180.57 1zgg h GLU 136 N 0.53 1.04 -0.49 1.92 4.57 -1.26 -0.44 114.58 120.46 1zgg h GLU 136 Ca 0.12 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1zgg h GLU 136 Cb 0.41 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1zgg h GLU 136 CO 0.01 0.98 0.23 1.25 -1.18 0.00 0.00 179.01 180.30 1zgg h LEU 137 N 0.95 0.64 -1.19 1.64 5.85 -1.02 -2.80 115.31 119.37 1zgg h LEU 137 Ca 0.19 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1zgg h LEU 137 Cb 0.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1zgg h LEU 137 CO 0.02 0.60 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.36 1zgg h LEU 138 N 0.64 0.00 -0.77 2.25 4.07 -0.36 -0.18 115.31 120.97 1zgg h LEU 138 Ca 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1zgg h LEU 138 Cb 0.13 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1zgg h LEU 138 CO -0.02 0.29 0.27 0.03 -1.08 0.00 0.00 178.44 177.92 1zgg h ARG 139 N 0.00 1.17 -0.11 1.13 3.08 -0.87 -1.43 114.38 117.35 1zgg h ARG 139 Ca -0.00 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1zgg h ARG 139 Cb 0.73 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1zgg h ARG 139 CO 0.04 0.98 -0.36 1.96 -1.07 0.00 0.00 179.97 181.51 1zgg h GLN 140 N 1.13 0.23 -0.63 0.04 4.20 -0.90 -1.33 115.11 117.85 1zgg h GLN 140 Ca 0.25 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1zgg h GLN 140 Cb 0.27 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1zgg h GLN 140 CO -0.01 0.57 0.38 -0.07 -0.67 0.00 0.00 178.83 179.02 1zgg h LEU 141 N 0.20 0.60 -0.74 1.46 4.07 -0.65 0.40 115.31 120.65 1zgg h LEU 141 Ca 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1zgg h LEU 141 Cb 0.73 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 1zgg h LEU 141 CO 0.06 0.41 0.45 0.00 -1.08 0.00 0.00 178.44 178.28 1zgg h ALA 142 N 1.29 0.95 -0.39 1.53 0.00 -0.69 -1.51 119.26 120.44 1zgg h ALA 142 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1zgg h ALA 142 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1zgg h ALA 142 CO -0.13 0.42 0.25 0.87 0.00 0.00 0.00 179.25 180.66 1zgg h LYS 143 N 1.02 0.48 -0.77 0.00 1.57 -0.69 -0.87 116.57 117.32 1zgg h LYS 143 Ca 0.27 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1zgg h LYS 143 Cb -0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1zgg h LYS 143 CO -0.05 0.32 0.50 1.96 -0.57 0.00 0.00 179.45 181.61 1zgg h GLN 144 N 0.50 0.96 0.14 3.15 1.08 -0.24 0.10 115.11 120.80 1zgg h GLN 144 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1zgg h GLN 144 Cb -0.03 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1zgg h GLN 144 CO -0.05 0.64 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.33 1zgg h LEU 145 N 0.99 -0.16 -1.19 1.46 3.38 -1.09 -2.65 115.31 116.05 1zgg h LEU 145 Ca 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1zgg h LEU 145 Cb -0.05 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1zgg h LEU 145 CO -0.09 0.18 0.33 0.11 0.09 0.00 0.00 178.44 179.07 1zgg h LYS 146 N -0.53 0.90 -0.21 1.13 1.57 -0.86 -0.16 116.57 118.42 1zgg h LYS 146 Ca -0.02 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1zgg h LYS 146 Cb 0.41 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1zgg h LYS 146 CO 0.03 0.68 -0.22 0.87 -0.57 0.00 0.00 179.45 180.23 1zgg h LYS 147 N 0.90 0.53 0.00 3.15 1.57 -0.83 -3.43 116.57 118.46 1zgg h LYS 147 Ca 0.23 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1zgg h LYS 147 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1zgg h LYS 147 CO -0.03 0.87 0.00 -3.47 -0.57 0.00 0.00 179.45 176.24 1zgg n ASP 148 N -4.40 0.00 -3.69 0.86 2.03 -1.00 -5.06 116.55 105.29 1zgg n ASP 148 Ca -0.05 -0.12 -0.26 0.00 0.52 0.00 0.00 54.79 54.88 1zgg n ASP 148 Cb 0.42 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.84 1zgg n ASP 148 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1zgg n ARG 149 N 0.00 -1.20 0.00 -0.67 3.00 -0.08 -5.03 116.66 112.68 1zgg n ARG 149 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1zgg n ARG 149 Cb 0.03 -3.40 0.00 0.00 0.00 0.00 0.00 32.46 29.09 1zgg n ARG 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17