#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 0.53 -0.08 6.12 2.15 -1.26 -1.22 116.67 122.91 1zgg s ASP 2 Ca 0.00 0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.01 1zgg s ASP 2 Cb 0.00 -0.18 -0.02 0.00 -0.30 0.00 0.00 42.92 42.42 1zgg s ASP 2 CO 0.00 -0.14 -0.17 -0.63 -0.17 0.00 0.00 175.17 174.06 1zgg s ILE 3 N 1.30 2.74 -0.32 4.11 1.01 -0.43 -0.54 121.20 129.06 1zgg s ILE 3 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1zgg s ILE 3 Cb -0.13 -2.09 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1zgg s ILE 3 CO -0.03 0.56 0.06 -0.63 0.00 0.00 0.00 174.94 174.90 1zgg s ILE 4 N -0.13 3.40 0.16 2.92 1.01 -0.34 -0.57 121.20 127.65 1zgg s ILE 4 Ca -0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1zgg s ILE 4 Cb -0.14 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1zgg s ILE 4 CO 0.04 -0.15 1.06 -0.36 0.00 0.00 0.00 174.94 175.53 1zgg s PHE 5 N 1.33 3.66 -0.06 3.97 0.08 -0.27 -0.56 117.98 126.13 1zgg s PHE 5 Ca -0.03 1.65 -0.02 0.00 0.12 0.00 0.00 56.93 58.65 1zgg s PHE 5 Cb -0.20 -3.21 0.04 0.00 -0.57 0.00 0.00 43.02 39.08 1zgg s PHE 5 CO 0.01 -0.37 0.13 0.54 -0.10 0.00 0.00 175.22 175.42 1zgg s VAL 6 N -0.16 -0.05 0.04 -0.44 0.11 -0.40 -1.47 120.40 118.03 1zgg s VAL 6 Ca 0.49 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 1zgg s VAL 6 Cb -0.28 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1zgg s VAL 6 CO 0.33 0.07 -0.01 0.00 -3.33 0.00 0.00 175.10 172.16 1zgg h THR 8 N 3.75 0.37 -0.41 0.00 1.35 -1.94 -0.60 112.91 115.43 1zgg h THR 8 Ca -0.33 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1zgg h THR 8 Cb 1.17 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1zgg h THR 8 CO 0.55 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1zgg n GLY 9 N -1.41 3.10 5.00 5.82 0.00 -1.26 -1.19 105.19 115.24 1zgg n GLY 9 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.42 0.00 0.32 1.61 5.15 -0.23 -4.54 115.26 117.99 1zgg n ASN 10 Ca 0.18 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.36 1zgg n ASN 10 Cb 0.66 0.00 1.05 0.00 -0.53 0.00 0.00 39.78 40.96 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 0.16 -0.99 -0.44 1.35 -1.89 -2.77 112.91 108.33 1zgg h THR 11 Ca 0.00 -0.12 0.15 0.00 -0.55 0.00 0.00 66.41 65.88 1zgg h THR 11 Cb 0.00 1.10 -0.09 0.00 -1.73 0.00 0.00 68.15 67.43 1zgg h THR 11 CO 0.00 0.01 0.62 0.00 -0.25 0.00 0.00 175.52 175.90 1zgg n ARG 13 N -4.65 0.00 -0.23 0.00 0.63 -1.20 -4.31 116.66 106.91 1zgg n ARG 13 Ca 0.20 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.17 1zgg n ARG 13 Cb 0.44 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.49 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 -0.22 0.74 6.15 0.02 -1.74 0.12 113.55 118.62 1zgg h SER 14 Ca 0.00 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1zgg h SER 14 Cb 0.00 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1zgg h SER 14 CO 0.00 -0.12 -0.22 1.55 -1.14 0.00 0.00 176.83 176.90 1zgg h PRO 15 N 0.15 0.00 -0.35 3.45 0.13 -1.86 -0.60 132.00 132.92 1zgg h PRO 15 Ca 0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.48 1zgg h PRO 15 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1zgg h PRO 15 CO -0.57 0.22 0.11 0.52 -0.23 0.00 0.00 178.00 178.06 1zgg h MET 16 N 0.00 0.54 -0.54 0.86 2.86 -1.34 -1.46 114.93 115.86 1zgg h MET 16 Ca -0.00 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1zgg h MET 16 Cb 0.65 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1zgg h MET 16 CO 0.03 0.56 -0.02 0.00 1.06 0.00 0.00 176.91 178.54 1zgg h ALA 17 N 0.96 0.94 0.03 6.32 0.00 -0.68 -0.47 119.26 126.36 1zgg h ALA 17 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 17 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1zgg h ALA 17 CO -0.00 0.63 -0.07 1.49 0.00 0.00 0.00 179.25 181.30 1zgg h GLU 18 N 0.86 -0.13 -0.46 0.00 4.81 -1.07 0.11 114.58 118.70 1zgg h GLU 18 Ca 0.16 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1zgg h GLU 18 Cb 0.53 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1zgg h GLU 18 CO 0.03 -0.08 -0.12 0.00 -0.73 0.00 0.00 179.01 178.11 1zgg h ALA 19 N 0.83 0.63 -0.29 2.92 0.00 -0.95 -0.38 119.26 122.02 1zgg h ALA 19 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1zgg h ALA 19 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1zgg h ALA 19 CO -0.05 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 1zgg h LEU 20 N 0.73 0.42 -0.69 0.00 3.38 -1.03 -1.76 115.31 116.36 1zgg h LEU 20 Ca 0.11 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1zgg h LEU 20 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1zgg h LEU 20 CO 0.05 0.51 -0.48 0.15 0.09 0.00 0.00 178.44 178.76 1zgg h PHE 21 N 0.31 0.52 -0.21 1.13 3.57 -0.50 0.11 116.94 121.87 1zgg h PHE 21 Ca 0.09 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1zgg h PHE 21 Cb 0.24 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1zgg h PHE 21 CO 0.00 0.83 0.10 0.87 -2.23 0.00 0.00 178.31 177.88 1zgg h LYS 22 N 0.34 0.22 -0.57 1.11 1.57 -1.00 0.20 116.57 118.44 1zgg h LYS 22 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1zgg h LYS 22 Cb 0.97 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1zgg h LYS 22 CO 0.08 0.14 0.25 0.77 -0.57 0.00 0.00 179.45 180.13 1zgg h SER 23 N 0.22 0.77 -0.16 0.86 0.02 -0.71 -1.30 113.55 113.24 1zgg h SER 23 Ca 0.09 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 1zgg h SER 23 Cb 0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1zgg h SER 23 CO -0.06 0.70 -0.41 0.40 -1.14 0.00 0.00 176.83 176.33 1zgg h ILE 24 N 0.78 1.29 -0.74 3.27 2.04 -0.58 -1.10 117.51 122.46 1zgg h ILE 24 Ca 0.19 -1.58 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1zgg h ILE 24 Cb 0.16 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1zgg h ILE 24 CO -0.02 0.51 0.24 0.00 0.00 0.00 0.00 178.15 178.88 1zgg h ALA 25 N 0.98 1.01 -0.51 1.87 0.00 -0.35 0.13 119.26 122.39 1zgg h ALA 25 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1zgg h ALA 25 Cb 0.94 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1zgg h ALA 25 CO 0.09 0.66 0.01 0.93 0.00 0.00 0.00 179.25 180.94 1zgg h GLU 26 N 1.11 0.84 -0.37 0.00 5.08 -0.91 0.14 114.58 120.46 1zgg h GLU 26 Ca 0.24 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1zgg h GLU 26 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1zgg h GLU 26 CO -0.01 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 179.04 1zgg h ARG 27 N 0.78 0.52 0.00 2.33 2.47 -0.49 -3.17 114.38 116.83 1zgg h ARG 27 Ca 0.15 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1zgg h ARG 27 Cb 0.46 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1zgg h ARG 27 CO 0.02 0.44 0.00 0.93 0.56 0.00 0.00 179.97 181.92 1zgg h GLU 28 N 0.47 0.00 -0.89 0.04 4.39 -0.67 -3.47 114.58 114.45 1zgg h GLU 28 Ca 0.13 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 1zgg h GLU 28 Cb 0.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1zgg h GLU 28 CO -0.02 0.00 -0.19 0.41 -1.16 0.00 0.00 179.01 178.05 1zgg n GLY 29 N 1.06 0.42 3.77 -3.84 0.00 0.35 -5.05 105.19 101.90 1zgg n GLY 29 Ca 0.04 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.23 2.76 -0.19 0.99 1.43 -0.45 -5.03 118.68 115.97 1zgg s LEU 30 Ca 0.00 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1zgg s LEU 30 Cb 0.00 -4.24 0.05 0.00 0.03 0.00 0.00 46.19 42.03 1zgg s LEU 30 CO 0.00 -2.09 0.01 0.21 0.23 0.00 0.00 176.35 174.71 1zgg s ASN 31 N -3.56 2.92 0.30 2.29 2.47 -1.26 -4.70 114.94 113.40 1zgg s ASN 31 Ca 0.61 -0.79 -0.04 0.00 0.42 0.00 0.00 52.86 53.06 1zgg s ASN 31 Cb -0.16 -0.71 -0.01 0.00 -1.45 0.00 0.00 41.25 38.92 1zgg s ASN 31 CO 0.56 -0.27 0.42 0.68 -3.72 0.00 0.00 177.10 174.76 1zgg s VAL 32 N 1.77 0.00 0.12 -5.21 -7.23 -1.26 -4.76 120.40 103.82 1zgg s VAL 32 Ca -0.01 -1.63 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1zgg s VAL 32 Cb -0.17 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1zgg s VAL 32 CO -0.07 0.00 -0.25 0.21 -0.31 0.00 0.00 175.10 174.68 1zgg s ASN 33 N -3.18 3.03 0.01 4.85 2.47 -0.36 -5.01 114.94 116.77 1zgg s ASN 33 Ca 0.30 -0.72 0.01 0.00 0.42 0.00 0.00 52.86 52.88 1zgg s ASN 33 Cb 0.01 -0.19 -0.01 0.00 -1.45 0.00 0.00 41.25 39.60 1zgg s ASN 33 CO 0.17 0.14 -0.05 0.68 -3.72 0.00 0.00 177.10 174.32 1zgg s VAL 34 N -1.09 0.34 0.28 -5.21 -7.23 -1.26 -1.32 120.40 104.91 1zgg s VAL 34 Ca 0.11 -0.54 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1zgg s VAL 34 Cb -0.10 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1zgg s VAL 34 CO 0.05 -0.13 0.38 0.00 -0.31 0.00 0.00 175.10 175.09 1zgg s ARG 35 N -0.72 1.61 0.04 4.82 1.70 0.27 -4.92 118.95 121.75 1zgg s ARG 35 Ca -0.04 -1.57 0.02 0.00 -0.47 0.00 0.00 55.73 53.67 1zgg s ARG 35 Cb -0.05 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1zgg s ARG 35 CO -0.00 -0.64 -0.08 -1.12 -1.08 0.00 0.00 175.30 172.39 1zgg s SER 36 N -3.15 0.86 0.37 -2.89 0.01 -1.26 -1.11 113.70 106.52 1zgg s SER 36 Ca 0.30 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 1zgg s SER 36 Cb 0.01 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1zgg s SER 36 CO 0.15 -0.22 0.60 0.00 0.41 0.00 0.00 173.24 174.17 1zgg s ALA 37 N -1.53 0.28 -0.03 1.44 0.00 -0.54 -4.64 121.76 116.74 1zgg s ALA 37 Ca -0.09 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.53 1zgg s ALA 37 Cb -0.09 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.02 1zgg s ALA 37 CO 0.00 -0.86 0.15 0.20 0.00 0.00 0.00 175.76 175.25 1zgg s GLY 38 N -3.19 -0.03 0.58 0.00 0.00 -1.13 -3.20 107.32 100.35 1zgg s GLY 38 Ca 0.25 0.14 0.34 0.00 0.00 0.00 0.00 44.72 45.46 1zgg s GLY 38 CO 0.18 0.04 2.16 -0.39 0.00 0.00 0.00 173.10 175.09 1zgg h VAL 39 N 4.58 0.29 0.00 1.40 -1.51 -1.65 -0.49 116.25 118.87 1zgg h VAL 39 Ca -0.28 -0.33 -0.07 0.00 -1.23 0.00 0.00 66.70 64.79 1zgg h VAL 39 Cb 1.20 1.25 -0.16 0.00 -2.13 0.00 0.00 31.29 31.44 1zgg h VAL 39 CO 0.41 0.05 -0.67 0.49 -1.23 0.00 0.00 177.57 176.62 1zgg n PHE 40 N -3.39 0.00 -1.39 5.19 3.72 -0.34 -4.77 117.46 116.48 1zgg n PHE 40 Ca -0.02 -0.51 -0.29 0.00 -0.05 0.00 0.00 57.45 56.58 1zgg n PHE 40 Cb 0.19 -0.13 0.18 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.74 1.33 0.04 4.37 0.00 -1.08 -4.72 121.76 120.96 1zgg s ALA 41 Ca 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1zgg s ALA 41 Cb 0.24 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1zgg s ALA 41 CO -0.08 -2.83 -0.04 -1.12 0.00 0.00 0.00 175.76 171.69 1zgg s SER 42 N -4.03 0.48 0.00 0.00 0.01 -1.26 -4.10 113.70 104.79 1zgg s SER 42 Ca 0.68 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1zgg s SER 42 Cb -0.12 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1zgg s SER 42 CO 0.55 -0.34 0.19 -2.65 0.41 0.00 0.00 173.24 171.39 1zgg n PRO 43 N 1.20 0.00 -0.10 12.44 -0.02 -1.26 -2.25 135.00 145.01 1zgg n PRO 43 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1zgg n PRO 43 Cb 0.56 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.68 0.25 -4.83 2.55 6.94 -1.26 -4.70 115.26 113.54 1zgg n ASN 44 Ca 0.00 -1.35 -0.30 0.00 -0.02 0.00 0.00 54.58 52.91 1zgg n ASN 44 Cb 0.00 -0.05 0.07 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.37 1.64 0.24 4.83 0.00 -0.95 -4.91 107.32 107.78 1zgg s GLY 45 Ca 0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.37 1zgg s GLY 45 CO 0.00 0.21 0.59 -1.59 0.00 0.00 0.00 173.10 172.31 1zgg s LYS 46 N -5.18 1.57 0.12 2.90 -2.85 -1.26 -0.46 119.74 114.57 1zgg s LYS 46 Ca 0.59 -0.97 -0.35 0.00 -1.00 0.00 0.00 55.97 54.24 1zgg s LYS 46 Cb -0.13 0.55 -0.17 0.00 -2.06 0.00 0.00 37.83 36.02 1zgg s LYS 46 CO 0.54 -0.69 1.14 0.00 0.10 0.00 0.00 175.35 176.44 1zgg n ALA 47 N -0.40 -1.54 -1.49 0.59 0.00 -0.74 -4.86 120.51 112.07 1zgg n ALA 47 Ca -0.06 0.50 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 1zgg n ALA 47 Cb 0.61 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.05 3.84 -1.78 0.00 -4.23 -1.26 -4.82 115.64 107.35 1zgg s THR 48 Ca 0.79 0.60 0.07 0.00 -1.18 0.00 0.00 61.69 61.97 1zgg s THR 48 Cb -0.96 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 69.78 1zgg s THR 48 CO 0.52 -0.78 0.97 -0.81 -0.54 0.00 0.00 174.62 173.98 1zgg n PRO 49 N -3.22 0.18 -0.02 3.99 -0.04 -1.26 -1.77 135.00 132.87 1zgg n PRO 49 Ca 0.08 0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1zgg n PRO 49 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.11 0.00 -0.04 0.54 8.25 -1.26 -4.05 115.22 117.54 1zgg n HIS 50 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1zgg n HIS 50 Cb 0.04 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 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 0.10 0.21 -0.67 -1.41 0.00 -1.90 0.24 119.26 115.82 1zgg h ALA 51 Ca -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1zgg h ALA 51 Cb 1.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1zgg h ALA 51 CO -0.00 -0.21 0.21 -0.24 0.00 0.00 0.00 179.25 179.01 1zgg h VAL 52 N 0.11 1.25 -0.31 0.00 3.04 -1.61 -1.44 116.25 117.29 1zgg h VAL 52 Ca 0.05 -0.85 -0.16 0.00 -1.01 0.00 0.00 66.70 64.74 1zgg h VAL 52 Cb 0.16 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 1zgg h VAL 52 CO -0.01 0.33 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.37 1zgg h GLU 53 N 0.99 0.79 -0.78 4.17 4.57 -1.67 0.36 114.58 123.01 1zgg h GLU 53 Ca 0.22 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1zgg h GLU 53 Cb 0.28 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1zgg h GLU 53 CO -0.01 1.06 0.28 0.00 -1.18 0.00 0.00 179.01 179.17 1zgg h ALA 54 N 0.87 1.03 0.00 2.92 0.00 -0.44 0.70 119.26 124.34 1zgg h ALA 54 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1zgg h ALA 54 Cb 1.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1zgg h ALA 54 CO 0.10 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.76 1zgg h LEU 55 N 1.14 0.00 -0.53 0.00 -0.00 -1.14 -1.26 115.31 113.52 1zgg h LEU 55 Ca 0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.98 1zgg h LEU 55 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1zgg h LEU 55 CO -0.02 0.10 -0.48 0.15 -0.00 0.00 0.00 178.44 178.20 1zgg h PHE 56 N 0.00 0.79 -0.80 1.13 3.57 -0.35 0.76 116.94 122.03 1zgg h PHE 56 Ca -0.00 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 1zgg h PHE 56 Cb 1.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 1zgg h PHE 56 CO 0.00 1.00 0.33 1.49 -2.23 0.00 0.00 178.31 178.89 1zgg h GLU 57 N 0.51 1.18 0.00 1.11 4.22 -0.75 -0.47 114.58 120.39 1zgg h GLU 57 Ca 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.26 1zgg h GLU 57 Cb 1.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1zgg h GLU 57 CO 0.10 0.95 0.00 1.17 -2.18 0.00 0.00 179.01 179.05 1zgg n LYS 58 N -4.28 0.08 -3.20 1.92 3.00 -0.49 -4.89 118.16 110.30 1zgg n LYS 58 Ca 0.07 0.42 -0.14 0.00 -0.00 0.00 0.00 58.31 58.66 1zgg n LYS 58 Cb 0.18 -1.68 0.08 0.00 0.00 0.00 0.00 35.03 33.60 1zgg n LYS 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1zgg n HIS 59 N -1.84 -1.85 -0.00 5.64 -0.00 -0.18 -4.95 115.22 112.04 1zgg n HIS 59 Ca 0.01 0.79 0.00 0.00 -0.00 0.00 0.00 57.72 58.52 1zgg n HIS 59 Cb 0.12 -4.59 -0.01 0.00 -0.00 0.00 0.00 29.99 25.52 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 -3.62 0.02 -3.46 3.57 5.41 0.17 -5.02 119.36 116.43 1zgg n ILE 60 Ca -0.24 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.31 1zgg n ILE 60 Cb 0.64 -0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.59 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 -1.69 -2.60 -1.62 -1.39 0.00 -1.13 -4.92 120.51 107.16 1zgg n ALA 61 Ca -0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1zgg n ALA 61 Cb 0.19 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 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 -2.88 2.29 -3.66 0.00 0.00 -1.26 -4.99 117.00 106.49 1zgg n LEU 62 Ca -0.12 1.17 -0.07 0.00 0.00 0.00 0.00 56.01 57.00 1zgg n LEU 62 Cb 0.59 -1.34 -0.08 0.00 0.00 0.00 0.00 43.42 42.58 1zgg n LEU 62 CO 0.61 -1.18 0.10 0.21 0.00 0.00 0.00 177.39 177.12 1zgg s ASN 63 N -0.51 -0.52 -0.12 1.96 3.84 -1.26 -4.91 114.94 113.42 1zgg s ASN 63 Ca 0.58 1.15 -0.18 0.00 0.21 0.00 0.00 52.86 54.62 1zgg s ASN 63 Cb -0.66 1.55 0.04 0.00 -0.55 0.00 0.00 41.25 41.63 1zgg s ASN 63 CO 0.60 -0.23 0.46 -2.28 -2.79 0.00 0.00 177.10 172.86 1zgg s HIS 64 N 2.56 -0.45 -0.11 0.43 2.46 -1.26 -5.04 115.29 113.88 1zgg s HIS 64 Ca -0.04 1.01 0.01 0.00 0.47 0.00 0.00 55.06 56.51 1zgg s HIS 64 Cb -0.11 0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.54 1zgg s HIS 64 CO -0.15 -0.32 -0.11 0.08 -2.47 0.00 0.00 174.74 171.77 1zgg s VAL 65 N -0.29 1.24 1.23 0.89 1.01 -1.26 -1.79 120.40 121.42 1zgg s VAL 65 Ca -0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1zgg s VAL 65 Cb -0.03 -1.18 0.31 0.00 0.00 0.00 0.00 36.38 35.48 1zgg s VAL 65 CO 0.03 0.39 1.00 -0.44 0.00 0.00 0.00 175.10 176.08 1zgg s SER 66 N 1.25 0.45 0.04 3.32 0.01 0.39 -4.95 113.70 114.21 1zgg s SER 66 Ca -0.02 1.39 -0.27 0.00 1.31 0.00 0.00 55.95 58.35 1zgg s SER 66 Cb -0.14 -2.14 0.08 0.00 0.21 0.00 0.00 66.02 64.03 1zgg s SER 66 CO -0.04 -4.51 0.68 -0.44 0.41 0.00 0.00 173.24 169.34 1zgg s SER 67 N -2.57 -0.58 0.61 2.44 0.01 -1.23 -4.02 113.70 108.36 1zgg s SER 67 Ca 0.69 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 58.11 1zgg s SER 67 Cb -0.24 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1zgg s SER 67 CO 0.64 -0.75 1.13 -2.16 0.41 0.00 0.00 173.24 172.51 1zgg s PRO 68 N -2.45 3.02 -0.34 12.44 0.04 -1.26 -2.83 135.00 143.62 1zgg s PRO 68 Ca -0.04 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 1zgg s PRO 68 Cb -0.01 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1zgg s PRO 68 CO -0.02 -1.10 0.99 -1.17 0.04 0.00 0.00 177.00 175.73 1zgg s LEU 69 N -4.38 3.96 0.22 -3.56 2.96 -0.21 -4.70 118.68 112.98 1zgg s LEU 69 Ca 0.70 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1zgg s LEU 69 Cb -0.23 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1zgg s LEU 69 CO 0.35 -0.85 0.02 0.42 -1.32 0.00 0.00 176.35 174.97 1zgg s THR 70 N 3.53 0.85 0.31 3.68 -4.23 -1.26 -4.80 115.64 113.71 1zgg s THR 70 Ca 0.41 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1zgg s THR 70 Cb -0.12 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.41 1zgg s THR 70 CO 0.17 -0.29 1.73 -0.08 -0.54 0.00 0.00 174.62 175.61 1zgg h GLU 71 N 2.50 0.23 -0.49 3.99 4.81 -1.96 -1.75 114.58 121.92 1zgg h GLU 71 Ca -0.38 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1zgg h GLU 71 Cb 1.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1zgg h GLU 71 CO 0.63 0.58 -0.05 1.05 -0.73 0.00 0.00 179.01 180.49 1zgg h GLU 72 N 0.20 0.85 -0.31 1.92 4.11 -1.98 0.18 114.58 119.54 1zgg h GLU 72 Ca 0.02 -0.26 -0.06 0.00 0.07 0.00 0.00 59.36 59.12 1zgg h GLU 72 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1zgg h GLU 72 CO 0.06 0.88 -0.06 1.25 0.07 0.00 0.00 179.01 181.21 1zgg h LEU 73 N 0.78 0.58 -0.47 3.06 5.85 -1.77 -0.83 115.31 122.51 1zgg h LEU 73 Ca 0.14 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1zgg h LEU 73 Cb 0.54 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1zgg h LEU 73 CO 0.03 0.80 0.20 -0.03 -0.34 0.00 0.00 178.44 179.10 1zgg h MET 74 N 0.36 0.39 -0.53 1.25 4.05 -0.91 -0.99 114.93 118.54 1zgg h MET 74 Ca 0.08 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1zgg h MET 74 Cb 0.53 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1zgg h MET 74 CO 0.03 0.26 0.01 0.93 0.23 0.00 0.00 176.91 178.37 1zgg h GLU 75 N 0.40 0.90 -0.44 0.39 5.08 -0.53 -2.93 114.58 117.45 1zgg h GLU 75 Ca 0.22 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1zgg h GLU 75 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1zgg h GLU 75 CO -0.19 0.88 -0.15 0.77 -1.00 0.00 0.00 179.01 179.32 1zgg h SER 76 N 0.83 0.82 -4.53 1.42 0.02 -0.52 -3.45 113.55 108.14 1zgg h SER 76 Ca 0.16 -0.27 -0.47 0.00 -0.84 0.00 0.00 61.79 60.38 1zgg h SER 76 Cb 0.48 -0.22 0.11 0.00 0.14 0.00 0.00 62.40 62.90 1zgg h SER 76 CO 0.02 0.97 0.39 0.00 -1.14 0.00 0.00 176.83 177.07 1zgg s ALA 77 N -4.74 2.48 0.00 3.77 0.00 -0.43 -4.90 121.76 117.93 1zgg s ALA 77 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1zgg s ALA 77 Cb 0.13 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1zgg s ALA 77 CO 0.83 -1.82 0.00 -3.47 0.00 0.00 0.00 175.76 171.30 1zgg n ASP 78 N -3.42 1.04 -3.85 0.00 2.03 0.30 -4.92 116.55 107.74 1zgg n ASP 78 Ca 0.08 -0.35 -0.12 0.00 0.52 0.00 0.00 54.79 54.93 1zgg n ASP 78 Cb 0.61 0.90 -0.11 0.00 -0.72 0.00 0.00 41.12 41.80 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 -2.01 1.46 -0.03 -2.67 2.96 -0.18 -4.88 118.68 113.33 1zgg s LEU 79 Ca 0.00 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1zgg s LEU 79 Cb 0.00 0.65 -0.00 0.00 0.50 0.00 0.00 46.19 47.33 1zgg s LEU 79 CO 0.00 -0.25 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.93 1zgg s VAL 80 N -0.80 1.32 -0.35 1.68 1.01 -0.29 -1.20 120.40 121.77 1zgg s VAL 80 Ca -0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1zgg s VAL 80 Cb -0.05 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.32 1zgg s VAL 80 CO 0.01 0.38 0.16 -0.22 0.00 0.00 0.00 175.10 175.43 1zgg s LEU 81 N -0.02 2.08 -0.07 3.92 0.20 0.27 -1.15 118.68 123.91 1zgg s LEU 81 Ca -0.02 -1.97 -0.07 0.00 0.69 0.00 0.00 54.13 52.76 1zgg s LEU 81 Cb -0.10 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 1zgg s LEU 81 CO 0.01 -0.36 0.20 0.00 -0.29 0.00 0.00 176.35 175.91 1zgg s ALA 82 N 1.21 3.86 0.26 5.97 0.00 -0.19 -1.27 121.76 131.60 1zgg s ALA 82 Ca 0.13 -0.59 0.24 0.00 0.00 0.00 0.00 51.96 51.74 1zgg s ALA 82 Cb -0.20 -2.03 1.07 0.00 0.00 0.00 0.00 23.12 21.95 1zgg s ALA 82 CO -0.15 0.62 1.90 0.52 0.00 0.00 0.00 175.76 178.65 1zgg h MET 83 N 4.64 0.00 -4.14 0.00 0.00 -1.57 0.12 114.93 113.98 1zgg h MET 83 Ca -0.53 0.00 -0.13 0.00 0.00 0.00 0.00 59.70 59.04 1zgg h MET 83 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 31.60 32.67 1zgg h MET 83 CO 0.61 0.22 -0.56 0.95 0.00 0.00 0.00 176.91 178.13 1zgg s THR 84 N -3.88 0.16 0.33 2.22 -4.23 -1.26 -4.38 115.64 104.60 1zgg s THR 84 Ca -0.01 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1zgg s THR 84 Cb 0.12 -1.64 0.26 0.00 1.34 0.00 0.00 72.50 72.57 1zgg s THR 84 CO 0.63 -0.71 1.99 -0.74 -0.54 0.00 0.00 174.62 175.25 1zgg h HIS 85 N 2.92 0.87 -0.66 3.99 2.76 -1.92 -1.31 115.15 121.81 1zgg h HIS 85 Ca -0.34 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.84 1zgg h HIS 85 Cb 1.18 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1zgg h HIS 85 CO 0.47 0.56 0.38 0.37 -1.30 0.00 0.00 177.93 178.41 1zgg h GLN 86 N 0.93 0.90 -0.57 5.26 5.75 -1.99 -0.64 115.11 124.76 1zgg h GLN 86 Ca 0.25 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1zgg h GLN 86 Cb -0.08 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 1zgg h GLN 86 CO -0.05 0.66 0.27 0.45 -2.65 0.00 0.00 178.83 177.51 1zgg h HIS 87 N 0.89 0.82 -0.64 3.99 3.86 -1.84 -0.63 115.15 121.61 1zgg h HIS 87 Ca 0.23 -0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 1zgg h HIS 87 Cb 0.00 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.15 1zgg h HIS 87 CO -0.01 0.64 0.30 -0.22 0.86 0.00 0.00 177.93 179.49 1zgg h LYS 88 N 0.77 0.51 -0.01 2.45 3.64 -0.57 0.04 116.57 123.40 1zgg h LYS 88 Ca 0.20 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1zgg h LYS 88 Cb 0.12 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1zgg h LYS 88 CO -0.02 0.34 -0.66 1.96 -2.27 0.00 0.00 179.45 178.79 1zgg h GLN 89 N 0.53 0.07 -0.21 1.90 1.08 -0.77 -1.16 115.11 116.55 1zgg h GLN 89 Ca 0.31 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1zgg h GLN 89 Cb 0.31 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1zgg h GLN 89 CO -0.25 0.71 0.07 0.82 -0.95 0.00 0.00 178.83 179.23 1zgg h ILE 90 N 0.05 1.18 -0.62 2.54 2.04 -0.33 -0.36 117.51 122.00 1zgg h ILE 90 Ca -0.01 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1zgg h ILE 90 Cb 1.18 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 1zgg h ILE 90 CO 0.09 0.18 0.36 0.40 0.00 0.00 0.00 178.15 179.18 1zgg h ILE 91 N 0.17 1.02 -0.92 -0.67 2.04 -0.77 0.60 117.51 118.97 1zgg h ILE 91 Ca 0.07 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1zgg h ILE 91 Cb 0.21 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1zgg h ILE 91 CO -0.00 0.13 0.58 0.00 0.00 0.00 0.00 178.15 178.86 1zgg h ALA 92 N 1.30 1.17 -0.04 1.87 0.00 -1.06 -1.47 119.26 121.03 1zgg h ALA 92 Ca 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1zgg h ALA 92 Cb 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1zgg h ALA 92 CO -0.14 0.60 -0.43 0.77 0.00 0.00 0.00 179.25 180.05 1zgg h SER 93 N 1.26 0.10 -0.19 0.00 0.02 0.35 0.37 113.55 115.46 1zgg h SER 93 Ca 0.33 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1zgg h SER 93 Cb -0.10 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1zgg h SER 93 CO -0.07 0.53 -0.25 1.56 -1.14 0.00 0.00 176.83 177.46 1zgg h GLN 94 N 0.08 0.51 -0.28 3.45 4.20 -0.36 -3.38 115.11 119.33 1zgg h GLN 94 Ca 0.00 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1zgg h GLN 94 Cb 0.80 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1zgg h GLN 94 CO 0.06 0.88 0.00 1.19 -0.67 0.00 0.00 178.83 180.29 1zgg n PHE 95 N -4.40 0.45 -2.55 2.96 3.72 -0.61 -4.98 117.46 112.06 1zgg n PHE 95 Ca -0.06 -0.56 -0.06 0.00 -0.05 0.00 0.00 57.45 56.72 1zgg n PHE 95 Cb 0.44 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.20 0.17 3.80 1.37 0.00 -0.55 -3.58 105.19 106.60 1zgg n GLY 96 Ca 0.11 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.14 -2.52 0.00 1.61 0.63 0.01 -4.88 116.66 109.38 1zgg n ARG 97 Ca -0.10 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1zgg n ARG 97 Cb 0.56 -4.40 0.00 0.00 0.45 0.00 0.00 32.46 29.07 1zgg n ARG 97 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1zgg n TYR 98 N -4.29 0.00 0.03 -0.14 4.19 -1.23 -4.50 117.16 111.21 1zgg n TYR 98 Ca -0.21 -0.07 0.21 0.00 3.31 0.00 0.00 57.90 61.14 1zgg n TYR 98 Cb 0.64 -0.10 0.73 0.00 0.49 0.00 0.00 39.34 41.09 1zgg n TYR 98 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1zgg h ARG 99 N 0.25 0.00 -0.66 2.98 2.43 -1.90 -2.66 114.38 114.81 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 0.47 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1zgg h ARG 99 CO 0.00 0.00 0.45 0.22 -1.51 0.00 0.00 179.97 179.13 1zgg h ASP 100 N 0.00 0.31 1.07 -3.80 3.58 -2.01 0.09 116.42 115.66 1zgg h ASP 100 Ca 0.24 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1zgg h ASP 100 Cb 1.05 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1zgg h ASP 100 CO -0.00 0.17 0.00 1.17 -2.88 0.00 0.00 179.24 177.70 1zgg n LYS 101 N -4.46 0.22 -3.81 0.28 4.81 -1.00 -4.83 118.16 109.36 1zgg n LYS 101 Ca 0.12 0.31 -0.37 0.00 -0.87 0.00 0.00 58.31 57.50 1zgg n LYS 101 Cb 0.49 -1.82 -0.06 0.00 0.02 0.00 0.00 35.03 33.66 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1zgg s VAL 102 N -3.20 5.41 0.06 3.15 1.01 0.02 -1.14 120.40 125.71 1zgg s VAL 102 Ca 0.07 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1zgg s VAL 102 Cb 0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1zgg s VAL 102 CO 0.49 0.57 -0.07 -0.36 0.00 0.00 0.00 175.10 175.73 1zgg s PHE 103 N -1.08 0.70 0.47 5.22 0.40 -0.30 -4.96 117.98 118.43 1zgg s PHE 103 Ca 0.18 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.75 1zgg s PHE 103 Cb -0.13 -0.42 -0.06 0.00 0.51 0.00 0.00 43.02 42.92 1zgg s PHE 103 CO 0.08 -0.12 0.87 0.99 0.70 0.00 0.00 175.22 177.73 1zgg s THR 104 N -2.15 4.72 0.14 0.64 2.01 -1.26 -1.02 115.64 118.73 1zgg s THR 104 Ca -0.03 0.77 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1zgg s THR 104 Cb -0.05 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1zgg s THR 104 CO -0.02 -0.69 1.77 0.25 -0.69 0.00 0.00 174.62 175.24 1zgg h LEU 105 N 0.84 0.21 -0.07 4.42 5.85 -0.86 -0.89 115.31 124.80 1zgg h LEU 105 Ca -0.47 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1zgg h LEU 105 Cb 1.19 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1zgg h LEU 105 CO 0.63 0.16 -0.06 0.11 -0.34 0.00 0.00 178.44 178.94 1zgg h LYS 106 N 0.30 0.16 -0.86 1.25 1.79 -1.74 -3.36 116.57 114.11 1zgg h LYS 106 Ca 0.13 -0.08 0.19 0.00 -2.18 0.00 0.00 60.65 58.71 1zgg h LYS 106 Cb 0.05 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.59 1zgg h LYS 106 CO -0.09 0.58 0.37 1.49 -1.08 0.00 0.00 179.45 180.72 1zgg h GLU 107 N -0.25 0.42 0.00 3.15 4.81 -0.77 0.21 114.58 122.15 1zgg h GLU 107 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1zgg h GLU 107 Cb 0.54 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1zgg h GLU 107 CO 0.01 0.28 0.00 -0.92 -0.73 0.00 0.00 179.01 177.66 1zgg h TYR 108 N 0.44 0.00 0.00 0.92 3.20 -1.36 -0.75 116.97 119.42 1zgg h TYR 108 Ca 0.51 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.37 1zgg h TYR 108 Cb 0.91 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1zgg h TYR 108 CO -0.14 0.00 -1.06 0.28 -1.64 0.00 0.00 178.16 175.59 1zgg n VAL 109 N -2.70 0.06 0.08 1.81 0.31 0.38 -4.76 118.33 113.52 1zgg n VAL 109 Ca -0.02 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1zgg n VAL 109 Cb 0.08 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 31.57 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 -0.03 1.62 0.00 2.52 1.35 -0.81 -3.48 112.91 114.08 1zgg h THR 110 Ca -0.03 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 1zgg h THR 110 Cb 1.03 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1zgg h THR 110 CO -0.02 0.94 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1zgg n GLY 111 N 1.43 0.70 2.91 5.82 0.00 -0.29 -5.02 105.19 110.75 1zgg n GLY 111 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.68 0.08 0.28 1.61 0.01 -1.25 -4.95 113.70 106.81 1zgg s SER 112 Ca 0.00 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 1zgg s SER 112 Cb 0.00 0.04 -0.13 0.00 0.21 0.00 0.00 66.02 66.14 1zgg s SER 112 CO 0.00 -0.11 1.31 1.41 0.41 0.00 0.00 173.24 176.26 1zgg n HIS 113 N 2.53 2.08 0.00 2.43 -0.00 -1.26 -2.16 115.22 118.84 1zgg n HIS 113 Ca -0.16 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1zgg n HIS 113 Cb 0.58 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1zgg n HIS 113 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1zgg n GLY 114 N 1.55 -0.28 3.20 -1.41 0.00 -1.26 -4.86 105.19 102.13 1zgg n GLY 114 Ca 0.09 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 0.24 0.81 1.61 2.15 -1.26 -2.38 116.67 117.83 1zgg s ASP 115 Ca 0.00 -1.16 -0.12 0.00 0.43 0.00 0.00 52.55 51.71 1zgg s ASP 115 Cb 0.00 0.34 0.09 0.00 -0.30 0.00 0.00 42.92 43.05 1zgg s ASP 115 CO 0.00 -0.78 1.17 -0.69 -0.17 0.00 0.00 175.17 174.70 1zgg s VAL 116 N -4.04 2.04 0.02 1.11 1.01 -1.26 -4.84 120.40 114.43 1zgg s VAL 116 Ca 0.24 -0.04 -0.36 0.00 0.00 0.00 0.00 61.98 61.81 1zgg s VAL 116 Cb 0.06 -3.00 -0.15 0.00 0.00 0.00 0.00 36.38 33.30 1zgg s VAL 116 CO 0.03 0.00 1.53 -0.11 0.00 0.00 0.00 175.10 176.55 1zgg n LEU 117 N -3.31 2.32 -4.47 3.92 0.00 -1.26 -4.96 117.00 109.24 1zgg n LEU 117 Ca 0.09 1.09 -0.43 0.00 0.00 0.00 0.00 56.01 56.75 1zgg n LEU 117 Cb 0.61 -1.26 -0.06 0.00 0.00 0.00 0.00 43.42 42.72 1zgg n LEU 117 CO 0.55 -0.65 0.46 -0.62 0.00 0.00 0.00 177.39 177.14 1zgg s ASP 118 N 1.55 6.25 0.00 1.96 2.15 -1.26 -4.86 116.67 122.46 1zgg s ASP 118 Ca 0.87 -0.76 0.30 0.00 0.43 0.00 0.00 52.55 53.38 1zgg s ASP 118 Cb -0.88 -2.34 1.40 0.00 -0.30 0.00 0.00 42.92 40.80 1zgg s ASP 118 CO 0.49 -1.01 1.95 -0.81 -0.17 0.00 0.00 175.17 175.62 1zgg n PRO 119 N 6.58 1.01 -1.47 4.34 -0.04 -1.26 -4.96 135.00 139.19 1zgg n PRO 119 Ca -0.04 -0.33 -0.54 0.00 -0.04 0.00 0.00 63.50 62.55 1zgg n PRO 119 Cb 0.46 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.71 1.62 -0.61 0.54 7.35 -1.26 -0.43 117.46 123.95 1zgg n PHE 120 Ca 0.18 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1zgg n PHE 120 Cb 0.24 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.61 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 6.17 0.79 3.80 7.13 0.00 -1.26 -5.06 105.19 116.75 1zgg n GLY 121 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.68 1.67 0.95 -0.02 0.00 0.43 -5.08 107.32 103.59 1zgg s GLY 122 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1zgg s GLY 122 CO 0.00 -0.22 1.12 -1.35 0.00 0.00 0.00 173.10 172.64 1zgg s SER 123 N -4.41 3.09 0.42 1.64 1.04 -1.26 -4.90 113.70 109.32 1zgg s SER 123 Ca 0.71 1.06 0.18 0.00 0.48 0.00 0.00 55.95 58.38 1zgg s SER 123 Cb -0.08 -1.68 1.09 0.00 0.10 0.00 0.00 66.02 65.44 1zgg s SER 123 CO 0.54 -2.82 1.85 -0.29 0.98 0.00 0.00 173.24 173.49 1zgg h ILE 124 N -1.68 0.67 -0.52 -1.02 6.09 -1.95 -0.46 117.51 118.63 1zgg h ILE 124 Ca -0.52 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 1zgg h ILE 124 Cb 1.33 0.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.82 1zgg h ILE 124 CO 0.60 0.07 0.33 -0.78 -3.07 0.00 0.00 178.15 175.30 1zgg h ASP 125 N 0.41 0.61 -0.24 2.19 3.58 -1.96 0.19 116.42 121.18 1zgg h ASP 125 Ca 0.48 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.71 1zgg h ASP 125 Cb 1.20 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1zgg h ASP 125 CO -0.18 0.46 -0.59 0.40 -2.88 0.00 0.00 179.24 176.45 1zgg h ILE 126 N 0.71 1.28 -0.12 2.25 1.08 -1.43 0.56 117.51 121.84 1zgg h ILE 126 Ca 0.19 -1.78 -0.10 0.00 -0.39 0.00 0.00 64.86 62.78 1zgg h ILE 126 Cb -0.05 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1zgg h ILE 126 CO -0.04 0.58 -0.37 1.88 -0.69 0.00 0.00 178.15 179.51 1zgg h TYR 127 N 0.64 0.30 -0.52 1.37 -1.99 -1.27 -0.72 116.97 114.78 1zgg h TYR 127 Ca 0.00 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.59 1zgg h TYR 127 Cb 1.20 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 1zgg h TYR 127 CO 0.07 0.60 0.04 -0.22 -0.00 0.00 0.00 178.16 178.65 1zgg h LYS 128 N 0.22 0.88 -0.62 4.88 3.11 -0.31 0.10 116.57 124.84 1zgg h LYS 128 Ca 0.02 -0.26 -0.07 0.00 -2.81 0.00 0.00 60.65 57.54 1zgg h LYS 128 Cb 0.76 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 1zgg h LYS 128 CO 0.06 0.89 0.13 1.96 -2.81 0.00 0.00 179.45 179.68 1zgg h GLN 129 N 0.76 1.01 -0.07 1.90 4.20 -0.64 -2.86 115.11 119.40 1zgg h GLN 129 Ca 0.15 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1zgg h GLN 129 Cb 0.47 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1zgg h GLN 129 CO 0.02 0.93 0.03 1.15 -0.67 0.00 0.00 178.83 180.29 1zgg h THR 130 N 0.92 1.11 0.00 -0.54 2.02 -0.84 -2.83 112.91 112.75 1zgg h THR 130 Ca 0.19 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1zgg h THR 130 Cb 0.39 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1zgg h THR 130 CO 0.01 0.09 -0.24 0.08 0.37 0.00 0.00 175.52 175.83 1zgg h ARG 131 N -0.01 0.00 -0.10 6.66 -0.00 -0.72 0.13 114.38 120.34 1zgg h ARG 131 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.99 1zgg h ARG 131 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.09 1zgg h ARG 131 CO -0.00 0.24 0.00 0.22 -0.00 0.00 0.00 179.97 180.43 1zgg h ASP 132 N 0.00 0.16 -0.50 0.08 3.58 -1.40 -0.83 116.42 117.51 1zgg h ASP 132 Ca -0.00 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 1zgg h ASP 132 Cb 0.65 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1zgg h ASP 132 CO 0.03 0.42 0.07 -0.08 -2.88 0.00 0.00 179.24 176.80 1zgg h GLU 133 N -0.10 0.84 -0.61 0.28 4.81 -1.12 -2.53 114.58 116.15 1zgg h GLU 133 Ca 0.03 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1zgg h GLU 133 Cb 0.33 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1zgg h GLU 133 CO 0.00 0.84 0.13 1.25 -0.73 0.00 0.00 179.01 180.51 1zgg h LEU 134 N 0.72 0.91 -0.38 1.64 5.85 -0.78 -1.00 115.31 122.29 1zgg h LEU 134 Ca 0.15 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1zgg h LEU 134 Cb 0.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1zgg h LEU 134 CO 0.01 0.90 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.92 1zgg h GLU 135 N 0.92 0.67 -0.68 1.25 4.81 -1.00 -0.36 114.58 120.20 1zgg h GLU 135 Ca 0.19 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1zgg h GLU 135 Cb 0.36 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1zgg h GLU 135 CO 0.00 0.78 0.23 1.49 -0.73 0.00 0.00 179.01 180.78 1zgg h GLU 136 N 0.49 1.05 -0.16 1.92 4.81 -1.03 -0.30 114.58 121.35 1zgg h GLU 136 Ca 0.10 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1zgg h GLU 136 Cb 0.48 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1zgg h GLU 136 CO 0.02 0.90 0.09 1.25 -0.73 0.00 0.00 179.01 180.54 1zgg h LEU 137 N 0.99 0.19 -0.99 1.64 5.85 -1.11 -2.93 115.31 118.95 1zgg h LEU 137 Ca 0.22 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1zgg h LEU 137 Cb 0.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1zgg h LEU 137 CO -0.01 0.20 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.92 1zgg h LEU 138 N 0.17 0.00 -0.50 2.25 3.38 -0.41 0.14 115.31 120.35 1zgg h LEU 138 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1zgg h LEU 138 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1zgg h LEU 138 CO -0.01 0.30 -0.02 0.03 0.09 0.00 0.00 178.44 178.83 1zgg h ARG 139 N 0.00 0.90 -0.32 1.13 3.08 -1.03 -0.23 114.38 117.91 1zgg h ARG 139 Ca -0.00 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 1zgg h ARG 139 Cb 0.84 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1zgg h ARG 139 CO 0.04 0.94 -0.15 1.96 -1.07 0.00 0.00 179.97 181.69 1zgg h GLN 140 N 0.76 0.58 -0.77 0.04 4.20 -1.11 -2.22 115.11 116.59 1zgg h GLN 140 Ca 0.14 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1zgg h GLN 140 Cb 0.55 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1zgg h GLN 140 CO 0.03 0.71 0.34 1.25 -0.67 0.00 0.00 178.83 180.50 1zgg h LEU 141 N 0.52 1.02 -0.57 1.46 6.46 -0.41 0.10 115.31 123.91 1zgg h LEU 141 Ca 0.09 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1zgg h LEU 141 Cb 0.57 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1zgg h LEU 141 CO 0.04 0.88 0.18 0.00 -0.62 0.00 0.00 178.44 178.92 1zgg h ALA 142 N 1.27 0.74 -0.71 1.25 0.00 -0.82 0.20 119.26 121.19 1zgg h ALA 142 Ca 0.26 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1zgg h ALA 142 Cb 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1zgg h ALA 142 CO -0.03 0.40 0.44 -0.22 0.00 0.00 0.00 179.25 179.84 1zgg h LYS 143 N 0.79 0.82 -0.43 0.00 3.64 -0.77 -0.65 116.57 119.97 1zgg h LYS 143 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1zgg h LYS 143 Cb 0.27 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1zgg h LYS 143 CO -0.01 0.54 0.23 1.96 -2.27 0.00 0.00 179.45 179.90 1zgg h GLN 144 N 0.85 0.60 -0.43 1.90 1.08 -0.37 -3.12 115.11 115.62 1zgg h GLN 144 Ca 0.30 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 1zgg h GLN 144 Cb 0.06 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1zgg h GLN 144 CO -0.13 0.49 0.16 -0.07 -0.95 0.00 0.00 178.83 178.33 1zgg h LEU 145 N 0.55 0.60 -0.43 1.46 3.38 -0.37 -3.04 115.31 117.46 1zgg h LEU 145 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1zgg h LEU 145 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1zgg h LEU 145 CO -0.02 0.62 0.06 0.29 0.09 0.00 0.00 178.44 179.48 1zgg n LYS 146 N -4.60 0.04 -0.11 1.13 5.02 -0.30 -0.09 118.16 119.25 1zgg n LYS 146 Ca 0.00 0.50 -0.06 0.00 -2.02 0.00 0.00 58.31 56.73 1zgg n LYS 146 Cb 0.16 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 33.48 1zgg n LYS 146 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1zgg h LYS 147 N 0.00 0.29 0.00 1.97 3.64 -1.64 -3.41 116.57 117.42 1zgg h LYS 147 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1zgg h LYS 147 Cb 0.12 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.77 1zgg h LYS 147 CO 0.00 0.19 -0.29 -3.47 -2.27 0.00 0.00 179.45 173.61 1zgg n ASP 148 N -5.00 -0.41 -0.64 4.20 2.03 -0.04 -4.91 116.55 111.78 1zgg n ASP 148 Ca 0.01 -1.69 -0.02 0.00 0.52 0.00 0.00 54.79 53.61 1zgg n ASP 148 Cb 0.12 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 1zgg n ASP 148 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1zgg n ARG 149 N 0.05 -1.47 0.00 -0.67 1.85 0.87 -5.05 116.66 112.23 1zgg n ARG 149 Ca -0.14 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1zgg n ARG 149 Cb 0.69 -3.74 0.00 0.00 -1.05 0.00 0.00 32.46 28.35 1zgg n ARG 149 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16