#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 0.52 0.03 6.12 2.15 -1.26 -0.97 116.67 123.27 1zgg s ASP 2 Ca 0.00 0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.05 1zgg s ASP 2 Cb 0.00 -0.17 -0.02 0.00 -0.30 0.00 0.00 42.92 42.43 1zgg s ASP 2 CO 0.00 -0.15 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.04 1zgg s ILE 3 N 1.33 1.43 -0.25 4.11 1.01 -0.36 -0.67 121.20 127.81 1zgg s ILE 3 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1zgg s ILE 3 Cb -0.13 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.15 1zgg s ILE 3 CO -0.03 0.17 -0.06 -0.63 0.00 0.00 0.00 174.94 174.39 1zgg s ILE 4 N -0.74 1.74 0.22 2.92 1.01 -0.23 -0.64 121.20 125.47 1zgg s ILE 4 Ca 0.05 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 1zgg s ILE 4 Cb -0.08 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 1zgg s ILE 4 CO 0.01 -0.10 1.12 -0.36 0.00 0.00 0.00 174.94 175.61 1zgg s PHE 5 N 1.29 3.55 -0.10 3.97 0.08 -0.22 -0.47 117.98 126.09 1zgg s PHE 5 Ca -0.06 1.60 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 1zgg s PHE 5 Cb -0.19 -3.31 0.04 0.00 -0.57 0.00 0.00 43.02 38.99 1zgg s PHE 5 CO -0.06 -0.71 0.24 0.54 -0.10 0.00 0.00 175.22 175.13 1zgg s VAL 6 N -0.55 -0.03 -0.09 -0.44 0.11 -0.41 -1.31 120.40 117.68 1zgg s VAL 6 Ca 0.48 0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.48 1zgg s VAL 6 Cb -0.31 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1zgg s VAL 6 CO 0.38 0.05 0.40 0.00 -3.33 0.00 0.00 175.10 172.59 1zgg s THR 8 N -0.53 2.22 0.00 0.00 2.01 -1.26 -0.82 115.64 117.27 1zgg s THR 8 Ca -0.06 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1zgg s THR 8 Cb -0.04 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1zgg s THR 8 CO 0.03 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1zgg n GLY 9 N 3.21 2.44 5.00 4.40 0.00 -1.26 -4.70 105.19 114.28 1zgg n GLY 9 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 0.32 1.61 5.15 0.00 -4.56 115.26 117.78 1zgg n ASN 10 Ca 0.00 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.20 1zgg n ASN 10 Cb 0.00 0.00 1.13 0.00 -0.53 0.00 0.00 39.78 40.38 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 0.00 -0.96 -0.44 1.35 -1.85 -2.77 112.91 108.24 1zgg h THR 11 Ca 0.00 -0.06 0.12 0.00 -0.55 0.00 0.00 66.41 65.91 1zgg h THR 11 Cb 0.00 1.04 -0.08 0.00 -1.73 0.00 0.00 68.15 67.39 1zgg h THR 11 CO 0.00 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 175.88 1zgg n ARG 13 N -4.58 0.00 -0.21 0.00 0.63 -1.20 -4.31 116.66 106.99 1zgg n ARG 13 Ca 0.18 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.09 1zgg n ARG 13 Cb 0.36 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.32 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 -0.69 0.94 6.15 0.02 -1.74 -0.57 113.55 117.66 1zgg h SER 14 Ca 0.00 0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1zgg h SER 14 Cb 0.00 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1zgg h SER 14 CO 0.00 -0.23 -0.27 1.55 -1.14 0.00 0.00 176.83 176.74 1zgg h PRO 15 N -0.03 0.00 -0.19 3.45 0.13 -1.86 -0.96 132.00 132.53 1zgg h PRO 15 Ca 0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1zgg h PRO 15 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1zgg h PRO 15 CO -0.66 0.27 0.10 0.52 -0.23 0.00 0.00 178.00 178.00 1zgg h MET 16 N 0.00 0.27 -0.60 0.86 2.86 -1.47 -1.39 114.93 115.46 1zgg h MET 16 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1zgg h MET 16 Cb 0.81 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1zgg h MET 16 CO 0.04 0.27 0.12 0.00 1.06 0.00 0.00 176.91 178.39 1zgg h ALA 17 N 0.99 1.07 0.01 6.32 0.00 -0.50 0.09 119.26 127.25 1zgg h ALA 17 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 17 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 17 CO -0.01 0.61 -0.04 1.49 0.00 0.00 0.00 179.25 181.30 1zgg h GLU 18 N 0.91 -0.07 -0.27 0.00 4.81 -1.12 0.11 114.58 118.94 1zgg h GLU 18 Ca 0.19 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1zgg h GLU 18 Cb 0.37 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1zgg h GLU 18 CO 0.01 -0.05 0.04 0.00 -0.73 0.00 0.00 179.01 178.28 1zgg h ALA 19 N 0.91 0.36 -0.49 2.92 0.00 -0.74 0.17 119.26 122.39 1zgg h ALA 19 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1zgg h ALA 19 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1zgg h ALA 19 CO -0.03 0.05 -0.15 1.25 0.00 0.00 0.00 179.25 180.37 1zgg h LEU 20 N 0.27 0.95 -0.60 0.00 6.46 -0.96 -1.74 115.31 119.69 1zgg h LEU 20 Ca 0.08 -0.33 -0.15 0.00 -0.12 0.00 0.00 57.88 57.37 1zgg h LEU 20 Cb 0.34 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1zgg h LEU 20 CO 0.01 1.09 -0.59 0.15 -0.62 0.00 0.00 178.44 178.48 1zgg h PHE 21 N 0.84 0.44 -0.44 1.25 3.57 -0.57 -0.37 116.94 121.67 1zgg h PHE 21 Ca 0.13 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1zgg h PHE 21 Cb 0.70 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1zgg h PHE 21 CO 0.04 0.85 0.28 0.87 -2.23 0.00 0.00 178.31 178.12 1zgg h LYS 22 N 0.26 0.58 -0.59 1.11 1.57 -0.63 0.28 116.57 119.15 1zgg h LYS 22 Ca -0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1zgg h LYS 22 Cb 1.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1zgg h LYS 22 CO 0.10 0.40 0.27 0.77 -0.57 0.00 0.00 179.45 180.42 1zgg h SER 23 N 0.59 0.79 -0.67 0.86 0.02 -1.06 -1.34 113.55 112.74 1zgg h SER 23 Ca 0.16 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1zgg h SER 23 Cb -0.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1zgg h SER 23 CO -0.03 0.72 0.14 0.40 -1.14 0.00 0.00 176.83 176.91 1zgg h ILE 24 N 0.81 1.26 -0.61 3.27 2.04 -0.70 -1.43 117.51 122.15 1zgg h ILE 24 Ca 0.20 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 1zgg h ILE 24 Cb 0.15 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1zgg h ILE 24 CO -0.02 0.37 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1zgg h ALA 25 N 1.06 0.81 -0.56 1.87 0.00 -0.21 0.13 119.26 122.36 1zgg h ALA 25 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1zgg h ALA 25 Cb 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1zgg h ALA 25 CO 0.01 0.61 0.25 1.49 0.00 0.00 0.00 179.25 181.61 1zgg h GLU 26 N 0.94 0.82 -0.06 0.00 4.81 -0.96 0.11 114.58 120.25 1zgg h GLU 26 Ca 0.18 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1zgg h GLU 26 Cb 0.50 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1zgg h GLU 26 CO 0.02 0.68 -0.68 0.07 -0.73 0.00 0.00 179.01 178.38 1zgg h ARG 27 N 0.76 0.25 0.00 1.92 0.11 -0.96 -2.93 114.38 113.53 1zgg h ARG 27 Ca 0.19 -0.20 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1zgg h ARG 27 Cb 0.15 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1zgg h ARG 27 CO -0.02 0.84 -0.34 1.49 0.10 0.00 0.00 179.97 182.04 1zgg h GLU 28 N 0.18 0.00 -0.90 0.08 4.57 -0.78 -3.47 114.58 114.26 1zgg h GLU 28 Ca -0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1zgg h GLU 28 Cb 1.22 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1zgg h GLU 28 CO 0.11 0.34 -0.17 0.41 -1.18 0.00 0.00 179.01 178.51 1zgg n GLY 29 N 0.41 0.23 3.81 1.92 0.00 0.23 -5.06 105.19 106.72 1zgg n GLY 29 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.98 2.66 -0.15 0.99 1.43 -0.27 -5.03 118.68 116.34 1zgg s LEU 30 Ca 0.00 1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1zgg s LEU 30 Cb 0.00 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.27 1zgg s LEU 30 CO 0.00 -1.91 -0.04 0.21 0.23 0.00 0.00 176.35 174.84 1zgg s ASN 31 N -3.90 2.56 0.26 2.29 3.84 -1.26 -4.66 114.94 114.07 1zgg s ASN 31 Ca 0.60 -0.53 -0.06 0.00 0.21 0.00 0.00 52.86 53.08 1zgg s ASN 31 Cb -0.14 -0.82 -0.02 0.00 -0.55 0.00 0.00 41.25 39.72 1zgg s ASN 31 CO 0.54 -0.18 0.36 0.68 -2.79 0.00 0.00 177.10 175.71 1zgg s VAL 32 N 1.71 0.00 0.01 -5.21 -7.23 -1.26 -4.56 120.40 103.85 1zgg s VAL 32 Ca 0.02 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1zgg s VAL 32 Cb -0.14 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1zgg s VAL 32 CO -0.08 0.00 -0.19 0.21 -0.31 0.00 0.00 175.10 174.73 1zgg s ASN 33 N -3.12 2.25 0.05 4.85 2.47 -0.14 -4.99 114.94 116.30 1zgg s ASN 33 Ca 0.30 -0.41 0.02 0.00 0.42 0.00 0.00 52.86 53.18 1zgg s ASN 33 Cb 0.02 -0.22 -0.03 0.00 -1.45 0.00 0.00 41.25 39.57 1zgg s ASN 33 CO 0.13 0.19 -0.07 0.68 -3.72 0.00 0.00 177.10 174.31 1zgg s VAL 34 N -0.60 0.50 0.24 -5.21 -7.23 -1.26 -1.22 120.40 105.61 1zgg s VAL 34 Ca 0.07 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1zgg s VAL 34 Cb -0.08 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1zgg s VAL 34 CO 0.00 -0.48 0.12 -0.13 -0.31 0.00 0.00 175.10 174.30 1zgg s ARG 35 N -1.94 1.35 -0.01 4.82 3.00 0.19 -4.93 118.95 121.43 1zgg s ARG 35 Ca -0.07 -1.73 0.03 0.00 0.00 0.00 0.00 55.73 53.96 1zgg s ARG 35 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 34.95 34.82 1zgg s ARG 35 CO -0.01 -0.34 -0.09 -1.12 0.00 0.00 0.00 175.30 173.73 1zgg s SER 36 N -3.26 1.11 0.35 0.23 0.01 -1.26 -1.05 113.70 109.83 1zgg s SER 36 Ca 0.38 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 1zgg s SER 36 Cb 0.07 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1zgg s SER 36 CO 0.13 0.11 0.47 0.00 0.41 0.00 0.00 173.24 174.36 1zgg s ALA 37 N -0.15 0.94 0.00 1.44 0.00 -0.43 -4.54 121.76 119.02 1zgg s ALA 37 Ca 0.02 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.30 1zgg s ALA 37 Cb -0.04 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.26 1zgg s ALA 37 CO -0.00 -0.78 0.13 0.20 0.00 0.00 0.00 175.76 175.31 1zgg s GLY 38 N -3.27 0.05 0.55 0.00 0.00 -1.18 -2.69 107.32 100.79 1zgg s GLY 38 Ca 0.32 -0.14 0.30 0.00 0.00 0.00 0.00 44.72 45.19 1zgg s GLY 38 CO 0.22 -0.28 2.13 -0.39 0.00 0.00 0.00 173.10 174.78 1zgg h VAL 39 N 4.29 0.47 0.00 1.40 -1.51 -1.88 -0.78 116.25 118.24 1zgg h VAL 39 Ca -0.31 -0.38 -0.14 0.00 -1.23 0.00 0.00 66.70 64.65 1zgg h VAL 39 Cb 1.19 1.25 -0.30 0.00 -2.13 0.00 0.00 31.29 31.31 1zgg h VAL 39 CO 0.41 0.08 -0.90 0.49 -1.23 0.00 0.00 177.57 176.41 1zgg n PHE 40 N -3.59 0.00 -1.34 5.19 3.72 -1.26 -4.74 117.46 115.44 1zgg n PHE 40 Ca -0.02 -0.55 -0.29 0.00 -0.05 0.00 0.00 57.45 56.53 1zgg n PHE 40 Cb 0.19 -0.15 0.19 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 -0.39 1.19 0.02 4.37 0.00 -1.12 -4.53 121.76 121.30 1zgg s ALA 41 Ca 0.30 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1zgg s ALA 41 Cb 0.34 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1zgg s ALA 41 CO -0.14 -2.95 -0.06 -1.12 0.00 0.00 0.00 175.76 171.50 1zgg s SER 42 N -3.98 0.60 0.00 0.00 0.01 -1.26 -4.01 113.70 105.05 1zgg s SER 42 Ca 0.68 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1zgg s SER 42 Cb -0.12 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1zgg s SER 42 CO 0.55 -0.16 0.35 -2.65 0.41 0.00 0.00 173.24 171.75 1zgg n PRO 43 N 1.91 0.00 -0.48 12.44 -0.02 -1.26 -2.12 135.00 145.48 1zgg n PRO 43 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1zgg n PRO 43 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 -0.85 0.00 -4.79 2.55 2.85 -1.26 -4.66 115.26 109.11 1zgg n ASN 44 Ca 0.00 -1.88 -0.32 0.00 -0.11 0.00 0.00 54.58 52.27 1zgg n ASN 44 Cb 0.00 -0.18 0.06 0.00 1.24 0.00 0.00 39.78 40.91 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1zgg s GLY 45 N -0.88 1.80 0.16 8.20 0.00 -0.90 -4.90 107.32 110.80 1zgg s GLY 45 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 1zgg s GLY 45 CO 0.00 0.60 0.47 -1.59 0.00 0.00 0.00 173.10 172.58 1zgg s LYS 46 N -4.72 1.23 0.20 2.90 -2.85 -1.26 -0.38 119.74 114.86 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 -0.17 0.50 -0.16 0.00 -2.06 0.00 0.00 37.83 35.94 1zgg s LYS 46 CO 0.51 -0.51 0.99 0.00 0.10 0.00 0.00 175.35 176.44 1zgg n ALA 47 N -0.29 -1.28 -1.44 0.59 0.00 -0.63 -4.91 120.51 112.55 1zgg n ALA 47 Ca -0.13 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1zgg n ALA 47 Cb 0.63 -1.92 0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.56 3.66 0.01 0.00 -4.23 -1.26 -4.79 115.64 108.47 1zgg s THR 48 Ca 0.69 0.57 0.15 0.00 -1.18 0.00 0.00 61.69 61.92 1zgg s THR 48 Cb -0.86 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 69.96 1zgg s THR 48 CO 0.55 -0.67 1.37 -0.65 -0.54 0.00 0.00 174.62 174.68 1zgg h PRO 49 N -0.76 0.00 0.00 3.99 0.11 -2.00 -2.18 132.00 131.16 1zgg h PRO 49 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1zgg h PRO 49 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1zgg h PRO 49 CO 0.54 0.00 -1.29 0.72 -0.21 0.00 0.00 178.00 177.76 1zgg n HIS 50 N -2.11 0.00 -0.00 0.65 8.25 -1.26 -4.04 115.22 116.70 1zgg n HIS 50 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1zgg n HIS 50 Cb 0.28 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 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 0.15 0.10 -0.46 -1.41 0.00 -1.89 0.58 119.26 116.33 1zgg h ALA 51 Ca -0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1zgg h ALA 51 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1zgg h ALA 51 CO -0.00 -0.35 -0.05 -0.24 0.00 0.00 0.00 179.25 178.61 1zgg h VAL 52 N 0.03 1.25 -0.38 0.00 3.04 -1.66 -1.51 116.25 117.02 1zgg h VAL 52 Ca 0.03 -1.07 -0.14 0.00 -1.01 0.00 0.00 66.70 64.50 1zgg h VAL 52 Cb 0.08 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 1zgg h VAL 52 CO -0.00 0.37 -0.32 -0.08 -1.01 0.00 0.00 177.57 176.53 1zgg h GLU 53 N 0.73 0.89 -0.72 4.17 4.57 -1.67 0.72 114.58 123.28 1zgg h GLU 53 Ca 0.13 -0.45 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1zgg h GLU 53 Cb 0.51 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1zgg h GLU 53 CO 0.03 1.10 0.31 0.00 -1.18 0.00 0.00 179.01 179.27 1zgg h ALA 54 N 0.78 0.93 0.00 2.92 0.00 -0.43 0.40 119.26 123.85 1zgg h ALA 54 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1zgg h ALA 54 Cb 0.90 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1zgg h ALA 54 CO 0.08 0.52 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 1zgg h LEU 55 N 1.01 0.00 -0.48 0.00 -0.00 -1.22 -1.60 115.31 113.02 1zgg h LEU 55 Ca 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.97 1zgg h LEU 55 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1zgg h LEU 55 CO -0.03 0.12 -0.36 0.15 -0.00 0.00 0.00 178.44 178.32 1zgg h PHE 56 N 0.00 1.02 -0.69 1.13 3.57 -0.24 0.13 116.94 121.86 1zgg h PHE 56 Ca -0.01 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 1zgg h PHE 56 Cb 1.09 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1zgg h PHE 56 CO 0.00 1.09 0.15 0.93 -2.23 0.00 0.00 178.31 178.25 1zgg h GLU 57 N 0.71 1.12 0.00 1.11 5.08 -0.86 -0.48 114.58 121.26 1zgg h GLU 57 Ca 0.06 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1zgg h GLU 57 Cb 0.94 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1zgg h GLU 57 CO 0.09 1.00 0.00 1.17 -1.00 0.00 0.00 179.01 180.27 1zgg n LYS 58 N -4.22 0.04 -2.89 2.33 4.81 -0.61 -4.89 118.16 112.72 1zgg n LYS 58 Ca 0.05 0.30 -0.11 0.00 -0.87 0.00 0.00 58.31 57.68 1zgg n LYS 58 Cb 0.27 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.44 -1.44 0.00 5.64 -0.00 -0.19 -4.96 115.22 112.83 1zgg n HIS 59 Ca 0.03 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.35 1zgg n HIS 59 Cb 0.10 -3.94 0.00 0.00 -0.00 0.00 0.00 29.99 26.15 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 -2.97 0.00 -3.63 3.57 5.41 0.33 -5.01 119.36 117.06 1zgg n ILE 60 Ca -0.17 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 1zgg n ILE 60 Cb 0.61 0.02 0.04 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 -1.25 -2.39 -0.23 -1.39 0.00 -1.09 -4.86 120.51 109.30 1zgg n ALA 61 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1zgg n ALA 61 Cb 0.12 -3.77 -0.02 0.00 0.00 0.00 0.00 19.45 15.78 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 -4.05 -0.49 -1.82 0.00 0.00 -1.26 -4.90 117.00 104.48 1zgg n LEU 62 Ca -0.15 0.99 -0.03 0.00 0.00 0.00 0.00 56.01 56.82 1zgg n LEU 62 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1zgg n LEU 62 CO 0.67 -0.85 -0.21 0.59 0.00 0.00 0.00 177.39 177.58 1zgg n ASN 63 N -4.76 -2.95 -4.11 1.96 3.02 -1.26 -4.96 115.26 102.20 1zgg n ASN 63 Ca 0.03 0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.56 1zgg n ASN 63 Cb 0.18 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.50 0.93 -0.12 3.10 5.65 -1.26 -5.04 115.29 118.05 1zgg s HIS 64 Ca 0.03 -0.45 0.02 0.00 0.25 0.00 0.00 55.06 54.91 1zgg s HIS 64 Cb -0.00 -0.54 0.02 0.00 -1.18 0.00 0.00 32.58 30.87 1zgg s HIS 64 CO 0.07 -0.01 -0.16 0.08 -0.65 0.00 0.00 174.74 174.07 1zgg s VAL 65 N -1.21 1.58 1.21 0.89 1.01 -1.26 -1.60 120.40 121.01 1zgg s VAL 65 Ca -0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1zgg s VAL 65 Cb -0.09 -1.44 0.30 0.00 0.00 0.00 0.00 36.38 35.15 1zgg s VAL 65 CO 0.01 0.46 1.01 -0.44 0.00 0.00 0.00 175.10 176.14 1zgg s SER 66 N 1.03 0.63 0.04 3.32 0.01 0.49 -4.95 113.70 114.27 1zgg s SER 66 Ca -0.05 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.34 1zgg s SER 66 Cb -0.15 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 63.99 1zgg s SER 66 CO -0.03 -4.40 0.68 -0.44 0.41 0.00 0.00 173.24 169.46 1zgg s SER 67 N -2.58 -0.58 0.64 2.44 0.01 -1.24 -3.99 113.70 108.41 1zgg s SER 67 Ca 0.69 0.32 -0.15 0.00 1.31 0.00 0.00 55.95 58.12 1zgg s SER 67 Cb -0.24 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 1zgg s SER 67 CO 0.64 -0.75 1.10 -2.16 0.41 0.00 0.00 173.24 172.48 1zgg s PRO 68 N -2.47 2.90 -0.34 12.44 0.04 -1.26 -3.08 135.00 143.24 1zgg s PRO 68 Ca -0.04 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 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 -1.16 0.97 -1.17 0.04 0.00 0.00 177.00 175.66 1zgg s LEU 69 N -4.78 3.97 0.21 -3.56 2.96 -0.31 -4.73 118.68 112.44 1zgg s LEU 69 Ca 0.66 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1zgg s LEU 69 Cb -0.20 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1zgg s LEU 69 CO 0.40 -0.85 -0.03 0.42 -1.32 0.00 0.00 176.35 174.97 1zgg s THR 70 N 3.51 1.13 0.30 3.68 -4.23 -1.26 -4.83 115.64 113.93 1zgg s THR 70 Ca 0.41 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1zgg s THR 70 Cb -0.12 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.53 1zgg s THR 70 CO 0.17 -0.43 1.70 -0.08 -0.54 0.00 0.00 174.62 175.45 1zgg h GLU 71 N 2.53 0.25 -0.61 3.99 4.81 -1.98 -1.70 114.58 121.86 1zgg h GLU 71 Ca -0.38 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 58.67 1zgg h GLU 71 Cb 1.22 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1zgg h GLU 71 CO 0.64 0.62 0.12 1.05 -0.73 0.00 0.00 179.01 180.71 1zgg h GLU 72 N 0.21 0.98 -0.32 1.92 4.11 -1.98 0.14 114.58 119.64 1zgg h GLU 72 Ca 0.02 -0.24 -0.13 0.00 0.07 0.00 0.00 59.36 59.09 1zgg h GLU 72 Cb 0.80 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1zgg h GLU 72 CO 0.06 0.90 -0.30 1.25 0.07 0.00 0.00 179.01 180.99 1zgg h LEU 73 N 0.93 0.81 -0.57 3.06 5.85 -1.75 -0.78 115.31 122.86 1zgg h LEU 73 Ca 0.19 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1zgg h LEU 73 Cb 0.38 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1zgg h LEU 73 CO 0.01 1.11 0.30 -0.03 -0.34 0.00 0.00 178.44 179.48 1zgg h MET 74 N 0.53 0.55 -0.28 1.25 1.85 -0.95 -1.02 114.93 116.85 1zgg h MET 74 Ca 0.05 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.98 1zgg h MET 74 Cb 0.87 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 1zgg h MET 74 CO 0.08 0.36 -0.34 0.93 -0.40 0.00 0.00 176.91 177.53 1zgg h GLU 75 N 0.56 0.62 -0.53 0.39 5.08 -0.60 -3.12 114.58 116.98 1zgg h GLU 75 Ca 0.26 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1zgg h GLU 75 Cb 0.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1zgg h GLU 75 CO -0.18 0.88 -0.03 0.77 -1.00 0.00 0.00 179.01 179.45 1zgg h SER 76 N 0.52 0.95 -4.29 1.42 0.02 -0.56 -3.45 113.55 108.16 1zgg h SER 76 Ca 0.06 -0.32 -0.50 0.00 -0.84 0.00 0.00 61.79 60.19 1zgg h SER 76 Cb 0.84 -0.26 0.06 0.00 0.14 0.00 0.00 62.40 63.18 1zgg h SER 76 CO 0.07 1.04 0.39 0.00 -1.14 0.00 0.00 176.83 177.19 1zgg s ALA 77 N -4.97 2.92 -0.05 3.77 0.00 -0.44 -4.93 121.76 118.06 1zgg s ALA 77 Ca -0.12 0.09 0.12 0.00 0.00 0.00 0.00 51.96 52.06 1zgg s ALA 77 Cb 0.12 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.87 1zgg s ALA 77 CO 0.84 -0.76 0.63 -3.47 0.00 0.00 0.00 175.76 173.00 1zgg n ASP 78 N -2.50 0.86 -3.97 0.00 2.03 0.16 -4.96 116.55 108.17 1zgg n ASP 78 Ca 0.07 0.39 -0.16 0.00 0.52 0.00 0.00 54.79 55.61 1zgg n ASP 78 Cb 0.54 -0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.76 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 -6.08 2.03 -0.06 -2.67 2.96 -0.47 -4.88 118.68 109.52 1zgg s LEU 79 Ca -0.05 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1zgg s LEU 79 Cb 0.08 -0.28 -0.00 0.00 0.50 0.00 0.00 46.19 46.49 1zgg s LEU 79 CO 0.82 0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 175.02 1zgg s VAL 80 N -0.23 1.60 -0.46 1.68 1.01 -0.49 -1.07 120.40 122.44 1zgg s VAL 80 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1zgg s VAL 80 Cb -0.03 -1.38 0.14 0.00 0.00 0.00 0.00 36.38 35.11 1zgg s VAL 80 CO -0.00 0.45 0.25 -0.22 0.00 0.00 0.00 175.10 175.59 1zgg s LEU 81 N 0.14 3.00 0.44 3.92 0.20 0.38 -1.14 118.68 125.62 1zgg s LEU 81 Ca -0.08 -2.74 -0.06 0.00 0.69 0.00 0.00 54.13 51.94 1zgg s LEU 81 Cb -0.14 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1zgg s LEU 81 CO 0.04 -0.25 0.75 0.00 -0.29 0.00 0.00 176.35 176.59 1zgg s ALA 82 N 0.18 3.43 -0.80 5.97 0.00 -0.20 -1.29 121.76 129.06 1zgg s ALA 82 Ca 0.18 -0.49 0.18 0.00 0.00 0.00 0.00 51.96 51.83 1zgg s ALA 82 Cb -0.23 -2.55 -0.20 0.00 0.00 0.00 0.00 23.12 20.14 1zgg s ALA 82 CO -0.01 -0.23 0.74 -1.33 0.00 0.00 0.00 175.76 174.93 1zgg n MET 83 N -1.97 1.12 -3.99 0.00 0.00 -1.02 -0.29 117.12 110.98 1zgg n MET 83 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 57.70 57.60 1zgg n MET 83 Cb 0.55 -1.34 -0.06 0.00 0.00 0.00 0.00 33.22 32.37 1zgg n MET 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1zgg s THR 84 N -2.70 0.01 0.42 2.03 -4.23 -1.26 -4.59 115.64 105.32 1zgg s THR 84 Ca 0.06 -1.41 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1zgg s THR 84 Cb 0.13 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 72.06 1zgg s THR 84 CO 0.73 -0.05 2.01 -0.74 -0.54 0.00 0.00 174.62 176.02 1zgg h HIS 85 N 2.33 0.29 -0.65 3.99 2.76 -1.94 -1.49 115.15 120.44 1zgg h HIS 85 Ca -0.28 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.85 1zgg h HIS 85 Cb 1.25 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 1zgg h HIS 85 CO 0.39 0.29 0.27 0.37 -1.30 0.00 0.00 177.93 177.95 1zgg h GLN 86 N 0.29 0.96 -0.33 5.26 5.75 -1.98 0.14 115.11 125.19 1zgg h GLN 86 Ca 0.07 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1zgg h GLN 86 Cb 0.16 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1zgg h GLN 86 CO 0.00 0.80 0.21 0.45 -2.65 0.00 0.00 178.83 177.63 1zgg h HIS 87 N 0.91 0.43 -0.76 3.99 3.86 -1.83 -0.84 115.15 120.91 1zgg h HIS 87 Ca 0.22 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1zgg h HIS 87 Cb 0.18 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 1zgg h HIS 87 CO 0.01 0.30 0.45 -0.22 0.86 0.00 0.00 177.93 179.33 1zgg h LYS 88 N 0.43 0.80 -0.64 2.45 3.64 -0.64 -0.72 116.57 121.89 1zgg h LYS 88 Ca 0.12 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1zgg h LYS 88 Cb -0.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1zgg h LYS 88 CO -0.02 0.53 0.07 1.96 -2.27 0.00 0.00 179.45 179.71 1zgg h GLN 89 N 0.83 1.09 -0.46 1.90 4.20 -0.45 -1.31 115.11 120.91 1zgg h GLN 89 Ca 0.34 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1zgg h GLN 89 Cb 0.18 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1zgg h GLN 89 CO -0.18 1.02 0.04 0.82 -0.67 0.00 0.00 178.83 179.87 1zgg h ILE 90 N 1.01 1.25 -0.30 2.54 2.04 -0.35 0.19 117.51 123.89 1zgg h ILE 90 Ca 0.19 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1zgg h ILE 90 Cb 0.49 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1zgg h ILE 90 CO 0.02 0.34 0.15 0.40 0.00 0.00 0.00 178.15 179.06 1zgg h ILE 91 N 0.64 0.99 -0.88 -0.67 2.04 -0.95 -0.10 117.51 118.59 1zgg h ILE 91 Ca 0.14 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1zgg h ILE 91 Cb 0.44 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1zgg h ILE 91 CO 0.02 0.06 0.53 0.00 0.00 0.00 0.00 178.15 178.75 1zgg h ALA 92 N 1.15 1.12 -0.24 1.87 0.00 -1.02 -1.63 119.26 120.51 1zgg h ALA 92 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1zgg h ALA 92 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1zgg h ALA 92 CO -0.08 0.58 -0.45 0.77 0.00 0.00 0.00 179.25 180.07 1zgg h SER 93 N 1.21 0.65 0.73 0.00 0.02 -0.18 0.40 113.55 116.38 1zgg h SER 93 Ca 0.31 -0.31 -0.26 0.00 -0.84 0.00 0.00 61.79 60.70 1zgg h SER 93 Cb -0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1zgg h SER 93 CO -0.06 1.00 -1.20 0.06 -1.14 0.00 0.00 176.83 175.49 1zgg h GLN 94 N 0.49 0.18 0.00 3.45 3.07 -0.79 -3.36 115.11 118.13 1zgg h GLN 94 Ca 0.03 -0.30 0.00 0.00 0.09 0.00 0.00 58.65 58.47 1zgg h GLN 94 Cb 0.97 0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1zgg h GLN 94 CO 0.09 1.12 -1.52 1.19 0.09 0.00 0.00 178.83 179.80 1zgg n PHE 95 N -3.45 0.00 -1.02 0.06 3.72 -0.64 -5.02 117.46 111.12 1zgg n PHE 95 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1zgg n PHE 95 Cb 1.00 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 1.38 0.82 3.74 1.37 0.00 -0.22 -4.57 105.19 107.70 1zgg n GLY 96 Ca -0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.98 -4.91 0.00 1.61 0.63 -0.04 -4.88 116.66 108.09 1zgg n ARG 97 Ca 0.00 0.61 0.01 0.00 -0.92 0.00 0.00 57.85 57.54 1zgg n ARG 97 Cb 0.34 -5.18 0.04 0.00 0.45 0.00 0.00 32.46 28.11 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 -4.33 0.00 -0.55 -0.14 4.02 -1.26 -4.30 117.16 110.60 1zgg n TYR 98 Ca -0.26 0.00 0.46 0.00 -0.01 0.00 0.00 57.90 58.09 1zgg n TYR 98 Cb 0.66 0.00 0.76 0.00 -0.02 0.00 0.00 39.34 40.74 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 0.00 -0.90 -0.72 2.43 -1.89 -2.86 114.38 110.43 1zgg h ARG 99 Ca 0.00 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1zgg h ARG 99 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1zgg h ARG 99 CO 0.00 0.00 0.61 0.22 -1.51 0.00 0.00 179.97 179.29 1zgg h ASP 100 N 0.00 0.28 -0.21 -3.80 3.58 -2.01 -0.82 116.42 113.44 1zgg h ASP 100 Ca 0.79 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.27 1zgg h ASP 100 Cb 3.29 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 44.33 1zgg h ASP 100 CO -0.01 0.10 0.00 2.29 -2.88 0.00 0.00 179.24 178.74 1zgg n LYS 101 N -4.44 2.11 -3.37 0.28 2.85 -1.08 -4.94 118.16 109.58 1zgg n LYS 101 Ca 0.19 -1.95 -0.38 0.00 -1.05 0.00 0.00 58.31 55.12 1zgg n LYS 101 Cb 0.79 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.69 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1zgg s VAL 102 N -1.50 4.93 0.05 0.58 1.01 -0.32 -1.40 120.40 123.75 1zgg s VAL 102 Ca 0.29 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1zgg s VAL 102 Cb 0.19 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1zgg s VAL 102 CO 0.27 0.53 -0.07 -0.36 0.00 0.00 0.00 175.10 175.46 1zgg s PHE 103 N -0.80 0.67 0.45 5.22 0.40 -0.29 -4.96 117.98 118.67 1zgg s PHE 103 Ca 0.27 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 55.96 1zgg s PHE 103 Cb -0.18 -0.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.91 1zgg s PHE 103 CO 0.15 -0.11 0.77 0.99 0.70 0.00 0.00 175.22 177.73 1zgg s THR 104 N -1.73 4.89 0.10 0.64 2.01 -1.26 -1.03 115.64 119.25 1zgg s THR 104 Ca -0.07 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 1zgg s THR 104 Cb -0.08 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.49 1zgg s THR 104 CO -0.01 -0.74 1.71 0.25 -0.69 0.00 0.00 174.62 175.14 1zgg h LEU 105 N 0.55 -0.18 -0.44 4.42 5.85 -0.83 0.22 115.31 124.89 1zgg h LEU 105 Ca -0.47 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 1zgg h LEU 105 Cb 1.20 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1zgg h LEU 105 CO 0.62 -0.10 -0.73 0.11 -0.34 0.00 0.00 178.44 178.00 1zgg h LYS 106 N -0.13 0.30 -0.85 1.25 1.79 -1.82 -3.34 116.57 113.78 1zgg h LYS 106 Ca 0.02 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1zgg h LYS 106 Cb 0.15 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 1zgg h LYS 106 CO -0.05 0.91 0.46 1.49 -1.08 0.00 0.00 179.45 181.18 1zgg h GLU 107 N 0.20 1.18 0.00 3.15 4.81 -1.02 0.14 114.58 123.04 1zgg h GLU 107 Ca -0.03 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1zgg h GLU 107 Cb 1.30 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1zgg h GLU 107 CO 0.12 0.87 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.24 1zgg h TYR 108 N 1.18 0.00 0.00 0.92 3.20 -1.11 -2.34 116.97 118.82 1zgg h TYR 108 Ca 0.30 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.98 1zgg h TYR 108 Cb 0.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1zgg h TYR 108 CO 0.01 0.11 -1.49 0.28 -1.64 0.00 0.00 178.16 175.43 1zgg n VAL 109 N -3.83 1.09 0.15 1.81 0.31 -0.75 -4.67 118.33 112.44 1zgg n VAL 109 Ca -0.02 -0.07 0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1zgg n VAL 109 Cb 0.21 -1.84 0.06 0.00 -0.91 0.00 0.00 33.84 31.35 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 -0.61 0.33 -0.03 2.52 1.35 -0.90 -3.48 112.91 112.10 1zgg h THR 110 Ca -0.28 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1zgg h THR 110 Cb 1.11 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1zgg h THR 110 CO -0.17 0.19 -0.01 0.61 -0.25 0.00 0.00 175.52 175.89 1zgg n GLY 111 N 1.19 0.47 2.94 5.82 0.00 -0.88 -5.04 105.19 109.70 1zgg n GLY 111 Ca 0.01 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.43 0.60 0.45 1.61 0.01 -1.26 -4.99 113.70 107.70 1zgg s SER 112 Ca 0.00 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.93 1zgg s SER 112 Cb 0.00 -0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.04 1zgg s SER 112 CO 0.00 0.04 1.26 -2.28 0.41 0.00 0.00 173.24 172.67 1zgg s HIS 113 N 0.07 2.75 -3.43 2.43 2.46 -1.26 -2.51 115.29 115.80 1zgg s HIS 113 Ca -0.00 1.45 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1zgg s HIS 113 Cb -0.04 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 1zgg s HIS 113 CO -0.00 -2.02 0.00 0.41 -2.47 0.00 0.00 174.74 170.66 1zgg n GLY 114 N 0.61 -2.16 3.18 1.59 0.00 -1.26 -4.87 105.19 102.28 1zgg n GLY 114 Ca 0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.81 0.23 1.00 1.61 2.15 -1.26 -3.21 116.67 116.38 1zgg s ASP 115 Ca 0.00 -0.77 -0.14 0.00 0.43 0.00 0.00 52.55 52.06 1zgg s ASP 115 Cb 0.00 0.30 0.19 0.00 -0.30 0.00 0.00 42.92 43.11 1zgg s ASP 115 CO 0.00 -0.70 1.14 -0.69 -0.17 0.00 0.00 175.17 174.75 1zgg s VAL 116 N -3.89 1.91 0.14 1.11 1.01 -1.26 -4.93 120.40 114.50 1zgg s VAL 116 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.71 1zgg s VAL 116 Cb 0.06 -2.66 -0.14 0.00 0.00 0.00 0.00 36.38 33.64 1zgg s VAL 116 CO -0.10 0.00 1.60 -0.11 0.00 0.00 0.00 175.10 176.49 1zgg n LEU 117 N -4.09 3.11 -4.43 3.92 0.00 -1.26 -4.97 117.00 109.28 1zgg n LEU 117 Ca 0.09 1.07 -0.44 0.00 0.00 0.00 0.00 56.01 56.73 1zgg n LEU 117 Cb 0.59 -1.42 -0.06 0.00 0.00 0.00 0.00 43.42 42.53 1zgg n LEU 117 CO 0.53 -0.28 0.38 -0.62 0.00 0.00 0.00 177.39 177.41 1zgg s ASP 118 N 1.16 6.21 0.00 1.96 2.15 -1.26 -4.88 116.67 122.02 1zgg s ASP 118 Ca 0.80 -1.03 0.30 0.00 0.43 0.00 0.00 52.55 53.05 1zgg s ASP 118 Cb -0.68 -2.30 1.48 0.00 -0.30 0.00 0.00 42.92 41.11 1zgg s ASP 118 CO 0.39 -0.98 2.01 -0.81 -0.17 0.00 0.00 175.17 175.61 1zgg n PRO 119 N 6.30 0.66 -1.67 4.34 -0.04 -1.26 -4.93 135.00 138.40 1zgg n PRO 119 Ca -0.07 -0.11 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 1zgg n PRO 119 Cb 0.45 -1.50 -0.04 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 -1.07 2.47 -0.13 0.54 7.35 -1.26 -0.49 117.46 124.86 1zgg n PHE 120 Ca 0.16 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1zgg n PHE 120 Cb 0.23 -2.74 0.00 0.00 0.35 0.00 0.00 39.48 37.32 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 4.42 0.75 3.95 7.13 0.00 -1.26 -5.07 105.19 115.11 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 -1.66 1.73 0.91 -0.02 0.00 0.36 -5.10 107.32 103.54 1zgg s GLY 122 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1zgg s GLY 122 CO 0.00 -0.71 1.12 -0.56 0.00 0.00 0.00 173.10 172.95 1zgg s SER 123 N -4.60 3.45 0.44 1.64 0.01 -1.26 -4.87 113.70 108.50 1zgg s SER 123 Ca 0.63 1.10 0.20 0.00 1.31 0.00 0.00 55.95 59.19 1zgg s SER 123 Cb -0.09 -1.73 1.15 0.00 0.21 0.00 0.00 66.02 65.56 1zgg s SER 123 CO 0.45 -2.60 1.87 -0.29 0.41 0.00 0.00 173.24 173.08 1zgg h ILE 124 N -1.53 0.67 -0.50 1.44 6.09 -1.96 0.26 117.51 121.97 1zgg h ILE 124 Ca -0.51 -0.11 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 1zgg h ILE 124 Cb 1.32 0.31 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 1zgg h ILE 124 CO 0.60 0.06 0.22 -0.78 -3.07 0.00 0.00 178.15 175.18 1zgg h ASP 125 N 0.33 0.65 -0.34 2.19 3.58 -1.97 0.15 116.42 121.00 1zgg h ASP 125 Ca 0.45 -0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.66 1zgg h ASP 125 Cb 1.22 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1zgg h ASP 125 CO -0.14 0.57 -0.45 0.40 -2.88 0.00 0.00 179.24 176.74 1zgg h ILE 126 N 0.71 1.27 -0.52 2.25 1.08 -1.29 0.80 117.51 121.81 1zgg h ILE 126 Ca 0.17 -1.63 -0.07 0.00 -0.39 0.00 0.00 64.86 62.95 1zgg h ILE 126 Cb 0.12 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1zgg h ILE 126 CO -0.02 0.54 0.04 1.88 -0.69 0.00 0.00 178.15 179.90 1zgg h TYR 127 N 0.72 0.91 -0.71 1.37 0.05 -1.21 -0.76 116.97 117.35 1zgg h TYR 127 Ca 0.04 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 1zgg h TYR 127 Cb 1.05 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.51 1zgg h TYR 127 CO 0.07 0.81 0.21 -0.22 -1.05 0.00 0.00 178.16 177.97 1zgg h LYS 128 N 0.81 1.12 -0.65 4.88 3.11 -0.38 0.88 116.57 126.34 1zgg h LYS 128 Ca 0.16 -0.25 -0.08 0.00 -2.81 0.00 0.00 60.65 57.67 1zgg h LYS 128 Cb 0.42 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1zgg h LYS 128 CO 0.01 0.97 0.09 1.96 -2.81 0.00 0.00 179.45 179.67 1zgg h GLN 129 N 1.06 1.08 -0.20 1.90 4.20 -0.48 -2.85 115.11 119.83 1zgg h GLN 129 Ca 0.23 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1zgg h GLN 129 Cb 0.33 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1zgg h GLN 129 CO -0.00 1.00 0.07 1.15 -0.67 0.00 0.00 178.83 180.37 1zgg h THR 130 N 1.01 1.17 -0.14 -0.54 2.02 -0.77 -2.92 112.91 112.74 1zgg h THR 130 Ca 0.20 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1zgg h THR 130 Cb 0.46 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1zgg h THR 130 CO 0.02 0.17 -0.13 0.08 0.37 0.00 0.00 175.52 176.03 1zgg h ARG 131 N 0.15 0.23 -0.27 6.66 0.11 -0.67 0.18 114.38 120.77 1zgg h ARG 131 Ca 0.06 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 1zgg h ARG 131 Cb 0.20 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1zgg h ARG 131 CO -0.00 0.37 -0.18 0.22 0.10 0.00 0.00 179.97 180.47 1zgg h ASP 132 N 0.22 0.62 -0.38 0.08 3.58 -1.44 -0.16 116.42 118.95 1zgg h ASP 132 Ca 0.04 -0.43 -0.11 0.00 0.42 0.00 0.00 57.03 56.95 1zgg h ASP 132 Cb 0.37 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1zgg h ASP 132 CO 0.02 0.92 -0.19 -0.08 -2.88 0.00 0.00 179.24 177.04 1zgg h GLU 133 N 0.33 0.80 -0.64 0.28 4.57 -1.21 -2.70 114.58 116.02 1zgg h GLU 133 Ca 0.05 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 1zgg h GLU 133 Cb 0.71 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1zgg h GLU 133 CO 0.05 0.98 0.16 1.25 -1.18 0.00 0.00 179.01 180.27 1zgg h LEU 134 N 0.60 0.93 -0.34 1.64 5.85 -0.64 -1.08 115.31 122.27 1zgg h LEU 134 Ca 0.09 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1zgg h LEU 134 Cb 0.74 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1zgg h LEU 134 CO 0.06 0.90 0.11 -0.08 -0.34 0.00 0.00 178.44 179.09 1zgg h GLU 135 N 0.95 0.53 -0.69 1.25 4.81 -0.94 0.01 114.58 120.50 1zgg h GLU 135 Ca 0.20 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1zgg h GLU 135 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1zgg h GLU 135 CO -0.00 0.55 0.18 1.49 -0.73 0.00 0.00 179.01 180.50 1zgg h GLU 136 N 0.40 1.08 -0.00 1.92 4.81 -1.11 0.38 114.58 122.07 1zgg h GLU 136 Ca 0.11 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1zgg h GLU 136 Cb 0.24 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1zgg h GLU 136 CO -0.00 0.95 0.00 1.25 -0.73 0.00 0.00 179.01 180.47 1zgg h LEU 137 N 1.03 0.00 -1.13 1.64 5.85 -1.11 -3.08 115.31 118.52 1zgg h LEU 137 Ca 0.22 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1zgg h LEU 137 Cb 0.34 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1zgg h LEU 137 CO -0.00 0.12 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.88 1zgg h LEU 138 N -0.11 0.00 -0.66 2.25 3.38 -0.28 0.12 115.31 120.01 1zgg h LEU 138 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1zgg h LEU 138 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1zgg h LEU 138 CO -0.00 0.27 0.17 0.03 0.09 0.00 0.00 178.44 179.00 1zgg h ARG 139 N 0.00 1.06 0.00 1.13 3.08 -0.95 -0.15 114.38 118.54 1zgg h ARG 139 Ca -0.00 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1zgg h ARG 139 Cb 0.75 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1zgg h ARG 139 CO 0.03 0.94 -0.46 1.96 -1.07 0.00 0.00 179.97 181.37 1zgg h GLN 140 N 0.98 0.00 -0.75 0.04 4.20 -1.07 -1.01 115.11 117.51 1zgg h GLN 140 Ca 0.21 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1zgg h GLN 140 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1zgg h GLN 140 CO 0.00 0.46 0.25 1.25 -0.67 0.00 0.00 178.83 180.12 1zgg h LEU 141 N 0.00 1.08 -0.70 1.46 5.85 -0.32 0.59 115.31 123.26 1zgg h LEU 141 Ca -0.00 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1zgg h LEU 141 Cb 0.96 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1zgg h LEU 141 CO 0.06 0.99 0.17 0.00 -0.34 0.00 0.00 178.44 179.33 1zgg h ALA 142 N 1.15 0.93 -0.46 1.25 0.00 -0.77 -0.37 119.26 120.99 1zgg h ALA 142 Ca 0.24 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1zgg h ALA 142 Cb 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1zgg h ALA 142 CO -0.01 0.65 0.22 -0.22 0.00 0.00 0.00 179.25 179.89 1zgg h LYS 143 N 1.06 0.43 -0.06 0.00 3.64 -0.59 0.16 116.57 121.21 1zgg h LYS 143 Ca 0.22 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1zgg h LYS 143 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1zgg h LYS 143 CO 0.00 0.28 0.01 1.96 -2.27 0.00 0.00 179.45 179.43 1zgg h GLN 144 N 0.44 0.03 0.00 1.90 1.08 -0.61 -0.48 115.11 117.47 1zgg h GLN 144 Ca 0.20 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1zgg h GLN 144 Cb 0.12 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1zgg h GLN 144 CO -0.15 0.02 0.00 -0.07 -0.95 0.00 0.00 178.83 177.68 1zgg h LEU 145 N 0.03 0.00 0.12 1.46 3.38 -0.47 -1.36 115.31 118.46 1zgg h LEU 145 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 1zgg h LEU 145 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1zgg h LEU 145 CO -0.04 0.00 -1.43 0.11 0.09 0.00 0.00 178.44 177.18 1zgg h LYS 146 N 0.00 0.25 -0.50 1.13 1.79 -0.56 -3.38 116.57 115.30 1zgg h LYS 146 Ca 0.00 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 1zgg h LYS 146 Cb 0.62 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1zgg h LYS 146 CO 0.00 1.14 0.18 -0.22 -1.08 0.00 0.00 179.45 179.47 1zgg h LYS 147 N 0.07 0.76 -3.92 3.15 3.64 -0.04 -3.45 116.57 116.78 1zgg h LYS 147 Ca -0.20 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1zgg h LYS 147 Cb 2.00 -0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 33.58 1zgg h LYS 147 CO 0.18 0.69 -0.34 0.34 -2.27 0.00 0.00 179.45 178.05 1zgg s ASP 148 N -6.02 0.05 0.00 4.20 2.15 -0.67 -5.02 116.67 111.36 1zgg s ASP 148 Ca -0.13 -0.90 0.03 0.00 0.43 0.00 0.00 52.55 51.97 1zgg s ASP 148 Cb 0.11 0.43 0.16 0.00 -0.30 0.00 0.00 42.92 43.33 1zgg s ASP 148 CO 0.78 -0.89 0.52 -2.11 -0.17 0.00 0.00 175.17 173.29 1zgg n ARG 149 N -0.22 0.12 0.00 4.34 -4.01 -1.26 -4.06 116.66 111.58 1zgg n ARG 149 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1zgg n ARG 149 Cb 0.63 -1.33 0.00 0.00 -3.04 0.00 0.00 32.46 28.72 1zgg n ARG 149 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46