#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 0.73 0.03 6.12 -1.08 -1.26 -0.84 116.67 120.37 1zgg s ASP 2 Ca 0.00 0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.31 1zgg s ASP 2 Cb 0.00 0.06 -0.03 0.00 -1.46 0.00 0.00 42.92 41.49 1zgg s ASP 2 CO 0.00 -0.22 -0.26 -0.63 0.52 0.00 0.00 175.17 174.58 1zgg s ILE 3 N 1.97 2.06 -0.18 4.11 1.01 -0.42 -0.90 121.20 128.85 1zgg s ILE 3 Ca 0.01 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1zgg s ILE 3 Cb -0.12 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.64 1zgg s ILE 3 CO -0.04 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.54 1zgg s ILE 4 N -0.74 1.78 0.03 2.92 1.01 -0.25 -0.58 121.20 125.37 1zgg s ILE 4 Ca 0.11 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.58 1zgg s ILE 4 Cb -0.10 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1zgg s ILE 4 CO 0.01 0.36 0.83 -0.36 0.00 0.00 0.00 174.94 175.78 1zgg s PHE 5 N 1.37 3.71 -0.05 3.97 0.08 -0.57 -0.66 117.98 125.83 1zgg s PHE 5 Ca 0.02 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 58.57 1zgg s PHE 5 Cb -0.14 -2.92 0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1zgg s PHE 5 CO -0.10 0.17 0.12 0.54 -0.10 0.00 0.00 175.22 175.86 1zgg s VAL 6 N 0.32 -0.01 -0.11 -0.44 0.11 -0.55 -1.19 120.40 118.53 1zgg s VAL 6 Ca 0.42 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.36 1zgg s VAL 6 Cb -0.21 -0.19 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1zgg s VAL 6 CO 0.24 0.02 0.42 0.00 -3.33 0.00 0.00 175.10 172.46 1zgg s THR 8 N -0.40 3.06 0.00 0.00 2.01 -1.26 -1.27 115.64 117.77 1zgg s THR 8 Ca -0.05 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1zgg s THR 8 Cb -0.03 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1zgg s THR 8 CO 0.03 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1zgg n GLY 9 N 4.78 2.63 5.00 4.40 0.00 -1.26 -4.84 105.19 115.90 1zgg n GLY 9 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.28 1.61 2.85 -0.40 -4.37 115.26 115.23 1zgg n ASN 10 Ca 0.00 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.61 1zgg n ASN 10 Cb 0.00 0.00 0.86 0.00 1.24 0.00 0.00 39.78 41.88 1zgg n ASN 10 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1zgg h THR 11 N 0.00 0.61 -1.01 -0.44 1.35 -1.88 -1.31 112.91 110.23 1zgg h THR 11 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 1zgg h THR 11 Cb 0.00 0.98 -0.10 0.00 -1.73 0.00 0.00 68.15 67.29 1zgg h THR 11 CO 0.00 0.00 0.62 0.00 -0.25 0.00 0.00 175.52 175.89 1zgg n ARG 13 N -4.74 0.00 -0.25 0.00 0.63 -1.00 -4.32 116.66 106.98 1zgg n ARG 13 Ca 0.25 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.23 1zgg n ARG 13 Cb 0.72 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.82 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 0.15 1.63 6.15 0.02 -1.50 -0.34 113.55 119.67 1zgg h SER 14 Ca 0.00 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1zgg h SER 14 Cb 0.00 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1zgg h SER 14 CO 0.00 0.03 -0.01 1.55 -1.14 0.00 0.00 176.83 177.27 1zgg h PRO 15 N 0.35 0.00 -0.37 3.45 0.13 -1.86 -1.34 132.00 132.36 1zgg h PRO 15 Ca 0.41 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.52 1zgg h PRO 15 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1zgg h PRO 15 CO -0.45 0.01 0.12 0.52 -0.23 0.00 0.00 178.00 177.97 1zgg h MET 16 N 0.00 0.58 -0.68 0.86 2.86 -1.41 -1.00 114.93 116.13 1zgg h MET 16 Ca -0.00 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1zgg h MET 16 Cb 0.82 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1zgg h MET 16 CO 0.00 0.58 0.20 0.00 1.06 0.00 0.00 176.91 178.75 1zgg h ALA 17 N 0.97 0.89 -0.10 6.32 0.00 -1.00 -0.14 119.26 126.21 1zgg h ALA 17 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1zgg h ALA 17 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1zgg h ALA 17 CO -0.01 0.58 0.02 1.49 0.00 0.00 0.00 179.25 181.34 1zgg h GLU 18 N 1.00 0.06 -0.41 0.00 4.81 -1.14 0.31 114.58 119.21 1zgg h GLU 18 Ca 0.22 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1zgg h GLU 18 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1zgg h GLU 18 CO -0.00 0.04 -0.09 0.00 -0.73 0.00 0.00 179.01 178.22 1zgg h ALA 19 N 1.07 0.56 -0.39 2.92 0.00 -0.89 -0.36 119.26 122.17 1zgg h ALA 19 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1zgg h ALA 19 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zgg h ALA 19 CO -0.06 0.43 0.18 -0.07 0.00 0.00 0.00 179.25 179.73 1zgg h LEU 20 N 0.60 0.51 -0.69 0.00 3.38 -0.93 -1.62 115.31 116.56 1zgg h LEU 20 Ca 0.10 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1zgg h LEU 20 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1zgg h LEU 20 CO 0.04 0.50 -0.49 0.15 0.09 0.00 0.00 178.44 178.72 1zgg h PHE 21 N 0.49 0.49 -0.42 1.13 3.57 -0.63 0.05 116.94 121.62 1zgg h PHE 21 Ca 0.13 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1zgg h PHE 21 Cb 0.13 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1zgg h PHE 21 CO -0.01 0.82 0.25 0.87 -2.23 0.00 0.00 178.31 178.00 1zgg h LYS 22 N 0.32 0.48 -0.13 1.11 1.57 -0.90 0.23 116.57 119.25 1zgg h LYS 22 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1zgg h LYS 22 Cb 0.98 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1zgg h LYS 22 CO 0.09 0.32 0.08 1.03 -0.57 0.00 0.00 179.45 180.39 1zgg h SER 23 N 0.50 0.15 -0.06 0.86 0.87 -0.73 -1.42 113.55 113.72 1zgg h SER 23 Ca 0.17 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 1zgg h SER 23 Cb 0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1zgg h SER 23 CO -0.08 0.13 -0.36 0.40 -0.53 0.00 0.00 176.83 176.39 1zgg h ILE 24 N 0.15 1.29 -0.81 2.23 2.04 -0.67 -0.90 117.51 120.85 1zgg h ILE 24 Ca 0.05 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 1zgg h ILE 24 Cb 0.01 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1zgg h ILE 24 CO -0.01 0.47 0.37 0.00 0.00 0.00 0.00 178.15 178.99 1zgg h ALA 25 N 1.15 1.14 -0.61 1.87 0.00 -0.40 0.22 119.26 122.63 1zgg h ALA 25 Ca 0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1zgg h ALA 25 Cb 0.84 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1zgg h ALA 25 CO 0.07 0.64 -0.00 1.49 0.00 0.00 0.00 179.25 181.45 1zgg h GLU 26 N 1.15 1.08 -0.47 0.00 4.81 -0.57 0.18 114.58 120.76 1zgg h GLU 26 Ca 0.28 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1zgg h GLU 26 Cb 0.13 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1zgg h GLU 26 CO -0.03 1.05 0.30 0.00 -0.73 0.00 0.00 179.01 179.59 1zgg h ARG 27 N 0.98 0.62 0.00 1.92 2.47 -0.49 -3.14 114.38 116.75 1zgg h ARG 27 Ca 0.17 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1zgg h ARG 27 Cb 0.56 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1zgg h ARG 27 CO 0.03 0.43 -0.36 0.93 0.56 0.00 0.00 179.97 181.56 1zgg h GLU 28 N 0.63 0.00 -1.69 0.04 4.39 -0.78 -3.47 114.58 113.69 1zgg h GLU 28 Ca 0.17 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.63 1zgg h GLU 28 Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1zgg h GLU 28 CO -0.03 0.00 -0.31 0.41 -1.16 0.00 0.00 179.01 177.92 1zgg n GLY 29 N 1.20 -0.08 3.64 -3.84 0.00 0.47 -4.98 105.19 101.60 1zgg n GLY 29 Ca 0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1zgg n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zgg s LEU 30 N -3.46 3.97 -0.49 0.99 0.20 -0.28 -4.98 118.68 114.63 1zgg s LEU 30 Ca 0.00 1.14 -0.28 0.00 0.69 0.00 0.00 54.13 55.69 1zgg s LEU 30 Cb 0.00 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 1zgg s LEU 30 CO 0.00 -0.83 1.71 0.21 -0.29 0.00 0.00 176.35 177.15 1zgg s ASN 31 N 1.57 5.74 0.24 3.68 3.84 -1.26 -4.77 114.94 123.98 1zgg s ASN 31 Ca 0.45 0.67 -0.04 0.00 0.21 0.00 0.00 52.86 54.16 1zgg s ASN 31 Cb -0.13 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.01 1zgg s ASN 31 CO 0.13 -1.94 0.28 0.68 -2.79 0.00 0.00 177.10 173.45 1zgg s VAL 32 N 7.44 0.00 0.06 -5.21 -7.23 -1.26 -4.37 120.40 109.82 1zgg s VAL 32 Ca 0.67 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1zgg s VAL 32 Cb -0.15 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1zgg s VAL 32 CO 0.27 0.00 -0.18 0.21 -0.31 0.00 0.00 175.10 175.08 1zgg s ASN 33 N -3.14 2.19 0.02 4.85 2.47 -0.02 -4.96 114.94 116.36 1zgg s ASN 33 Ca 0.33 -0.54 0.01 0.00 0.42 0.00 0.00 52.86 53.09 1zgg s ASN 33 Cb 0.04 -0.15 -0.02 0.00 -1.45 0.00 0.00 41.25 39.67 1zgg s ASN 33 CO 0.13 0.09 -0.05 0.68 -3.72 0.00 0.00 177.10 174.23 1zgg s VAL 34 N -0.91 0.33 0.37 -5.21 -7.23 -1.26 -1.30 120.40 105.19 1zgg s VAL 34 Ca 0.05 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 1zgg s VAL 34 Cb -0.09 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 1zgg s VAL 34 CO 0.02 -0.24 0.08 -0.13 -0.31 0.00 0.00 175.10 174.52 1zgg s ARG 35 N -1.00 1.80 0.11 4.82 3.00 0.25 -4.94 118.95 122.99 1zgg s ARG 35 Ca -0.07 -2.05 0.01 0.00 0.00 0.00 0.00 55.73 53.62 1zgg s ARG 35 Cb -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 34.95 34.05 1zgg s ARG 35 CO -0.00 -0.32 -0.05 -1.54 0.00 0.00 0.00 175.30 173.39 1zgg s SER 36 N -3.56 1.06 0.13 0.23 1.04 -1.26 -1.51 113.70 109.82 1zgg s SER 36 Ca 0.29 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1zgg s SER 36 Cb 0.06 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1zgg s SER 36 CO 0.14 -0.51 0.23 0.00 0.98 0.00 0.00 173.24 174.08 1zgg n ALA 37 N -0.07 -0.41 -3.30 5.32 0.00 -0.33 -4.74 120.51 116.98 1zgg n ALA 37 Ca -0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.72 1zgg n ALA 37 Cb 0.61 0.37 -0.08 0.00 0.00 0.00 0.00 19.45 20.35 1zgg n ALA 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1zgg s GLY 38 N -1.70 -0.25 0.47 0.00 0.00 -1.19 -3.20 107.32 101.45 1zgg s GLY 38 Ca 0.07 0.57 0.20 0.00 0.00 0.00 0.00 44.72 45.56 1zgg s GLY 38 CO 0.05 0.33 1.99 -0.39 0.00 0.00 0.00 173.10 175.08 1zgg h VAL 39 N 3.73 0.89 0.00 1.40 -1.51 -1.89 -0.34 116.25 118.53 1zgg h VAL 39 Ca -0.29 -0.73 -0.13 0.00 -1.23 0.00 0.00 66.70 64.33 1zgg h VAL 39 Cb 1.17 1.42 -0.27 0.00 -2.13 0.00 0.00 31.29 31.48 1zgg h VAL 39 CO 0.39 0.19 -0.87 0.49 -1.23 0.00 0.00 177.57 176.54 1zgg n PHE 40 N -3.94 0.00 -1.18 5.19 3.72 -1.26 -4.67 117.46 115.31 1zgg n PHE 40 Ca -0.02 -0.68 -0.29 0.00 -0.05 0.00 0.00 57.45 56.41 1zgg n PHE 40 Cb 0.28 -0.16 0.21 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.73 0.87 0.03 4.37 0.00 -1.17 -4.65 121.76 120.47 1zgg s ALA 41 Ca 0.32 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1zgg s ALA 41 Cb 0.36 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1zgg s ALA 41 CO -0.13 -3.17 -0.10 -1.12 0.00 0.00 0.00 175.76 171.24 1zgg s SER 42 N -3.76 1.11 0.00 0.00 0.01 -1.26 -3.99 113.70 105.80 1zgg s SER 42 Ca 0.68 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1zgg s SER 42 Cb -0.14 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1zgg s SER 42 CO 0.56 -0.04 0.05 -2.65 0.41 0.00 0.00 173.24 171.57 1zgg n PRO 43 N 2.01 0.00 -0.05 12.44 -0.02 -1.25 -2.40 135.00 145.74 1zgg n PRO 43 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1zgg n PRO 43 Cb 0.56 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1zgg n PRO 43 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1zgg n ASN 44 N -0.53 0.00 -4.80 2.55 6.94 -1.26 -4.74 115.26 113.43 1zgg n ASN 44 Ca 0.00 -1.09 -0.32 0.00 -0.02 0.00 0.00 54.58 53.15 1zgg n ASN 44 Cb 0.00 -0.02 0.03 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 -0.09 1.94 -0.29 4.83 0.00 -1.01 -4.91 107.32 107.80 1zgg s GLY 45 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.03 1zgg s GLY 45 CO 0.00 0.62 0.54 1.25 0.00 0.00 0.00 173.10 175.52 1zgg s LYS 46 N -4.45 0.52 0.51 2.90 2.20 -1.26 -0.41 119.74 119.74 1zgg s LYS 46 Ca 0.62 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1zgg s LYS 46 Cb -0.16 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1zgg s LYS 46 CO 0.45 -0.76 0.00 0.00 -0.36 0.00 0.00 175.35 174.68 1zgg n ALA 47 N 5.41 0.00 -2.18 3.13 0.00 -1.00 -4.88 120.51 120.99 1zgg n ALA 47 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1zgg n ALA 47 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.44 0.48 0.00 -4.23 -1.26 -4.83 115.64 106.24 1zgg s THR 48 Ca 0.00 -1.81 0.26 0.00 -1.18 0.00 0.00 61.69 58.95 1zgg s THR 48 Cb 0.00 -1.52 0.26 0.00 1.34 0.00 0.00 72.50 72.58 1zgg s THR 48 CO 0.00 -0.90 1.76 -0.65 -0.54 0.00 0.00 174.62 174.28 1zgg h PRO 49 N 3.17 0.00 0.00 3.99 0.11 -2.00 -2.16 132.00 135.10 1zgg h PRO 49 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1zgg h PRO 49 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1zgg h PRO 49 CO 0.64 0.00 -1.18 0.72 -0.21 0.00 0.00 178.00 177.97 1zgg n HIS 50 N -2.66 0.00 -0.02 0.65 8.25 -1.26 -4.01 115.22 116.17 1zgg n HIS 50 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1zgg n HIS 50 Cb 0.35 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 0.11 0.17 -0.60 -1.41 0.00 -1.91 0.40 119.26 116.01 1zgg h ALA 51 Ca -0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1zgg h ALA 51 Cb 1.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1zgg h ALA 51 CO 0.00 -0.31 0.12 -0.24 0.00 0.00 0.00 179.25 178.81 1zgg h VAL 52 N 0.14 1.25 -0.29 0.00 3.04 -1.64 -1.43 116.25 117.31 1zgg h VAL 52 Ca 0.05 -0.94 -0.16 0.00 -1.01 0.00 0.00 66.70 64.63 1zgg h VAL 52 Cb 0.04 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1zgg h VAL 52 CO -0.01 0.35 -0.47 -0.08 -1.01 0.00 0.00 177.57 176.35 1zgg h GLU 53 N 0.91 0.79 -0.60 4.17 4.81 -1.66 0.24 114.58 123.24 1zgg h GLU 53 Ca 0.19 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1zgg h GLU 53 Cb 0.37 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1zgg h GLU 53 CO 0.01 1.09 0.23 0.00 -0.73 0.00 0.00 179.01 179.60 1zgg h ALA 54 N 0.84 0.78 0.00 2.92 0.00 -0.43 0.60 119.26 123.96 1zgg h ALA 54 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1zgg h ALA 54 Cb 1.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1zgg h ALA 54 CO 0.10 0.40 -0.46 -0.07 0.00 0.00 0.00 179.25 179.23 1zgg h LEU 55 N 0.83 0.00 -0.53 0.00 -0.00 -1.20 -1.43 115.31 112.98 1zgg h LEU 55 Ca 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.94 1zgg h LEU 55 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1zgg h LEU 55 CO -0.01 0.40 -0.34 0.15 -0.00 0.00 0.00 178.44 178.64 1zgg h PHE 56 N 0.00 0.97 -0.49 1.13 3.57 -0.61 0.89 116.94 122.40 1zgg h PHE 56 Ca -0.01 -0.27 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 1zgg h PHE 56 Cb 1.32 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1zgg h PHE 56 CO 0.00 1.05 -0.06 1.49 -2.23 0.00 0.00 178.31 178.56 1zgg h GLU 57 N 0.69 0.86 0.00 1.11 4.81 -0.79 -0.47 114.58 120.78 1zgg h GLU 57 Ca 0.07 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1zgg h GLU 57 Cb 0.90 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1zgg h GLU 57 CO 0.08 0.89 0.00 1.17 -0.73 0.00 0.00 179.01 180.43 1zgg n LYS 58 N -4.18 0.04 -2.98 1.92 4.81 -0.55 -4.90 118.16 112.33 1zgg n LYS 58 Ca 0.02 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.60 1zgg n LYS 58 Cb 0.35 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.96 1zgg n LYS 58 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1zgg n HIS 59 N -1.45 -1.50 -0.00 5.64 8.25 -0.19 -4.96 115.22 121.02 1zgg n HIS 59 Ca 0.04 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1zgg n HIS 59 Cb 0.14 -3.99 -0.01 0.00 1.12 0.00 0.00 29.99 27.25 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1zgg n ILE 60 N -3.20 0.02 -3.34 1.59 5.41 0.21 -5.02 119.36 115.04 1zgg n ILE 60 Ca -0.17 -0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.45 1zgg n ILE 60 Cb 0.60 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 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 -1.70 -2.61 -1.67 -1.39 0.00 -1.12 -4.95 120.51 107.08 1zgg n ALA 61 Ca -0.01 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 1zgg n ALA 61 Cb 0.19 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.22 3.15 -0.60 0.00 0.00 -1.26 -4.92 117.00 111.15 1zgg n LEU 62 Ca -0.11 1.18 -0.01 0.00 0.00 0.00 0.00 56.01 57.07 1zgg n LEU 62 Cb 0.57 -1.44 -0.01 0.00 0.00 0.00 0.00 43.42 42.55 1zgg n LEU 62 CO 0.57 -0.61 0.25 -3.20 0.00 0.00 0.00 177.39 174.41 1zgg n ASN 63 N 1.35 -0.05 -4.67 1.96 2.85 -1.26 -4.90 115.26 110.54 1zgg n ASN 63 Ca 0.08 -1.43 -0.42 0.00 -0.11 0.00 0.00 54.58 52.70 1zgg n ASN 63 Cb 0.34 -0.04 -0.03 0.00 1.24 0.00 0.00 39.78 41.29 1zgg n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1zgg s HIS 64 N 0.00 1.66 -0.20 1.20 5.65 -1.26 -4.88 115.29 117.46 1zgg s HIS 64 Ca 0.02 -0.26 -0.21 0.00 0.25 0.00 0.00 55.06 54.86 1zgg s HIS 64 Cb 0.02 -4.20 -0.02 0.00 -1.18 0.00 0.00 32.58 27.19 1zgg s HIS 64 CO -0.01 -5.21 0.64 0.08 -0.65 0.00 0.00 174.74 169.59 1zgg s VAL 65 N 3.73 5.01 1.03 0.89 1.01 -1.26 -2.36 120.40 128.45 1zgg s VAL 65 Ca 0.85 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 1zgg s VAL 65 Cb -0.44 -3.96 0.20 0.00 0.00 0.00 0.00 36.38 32.18 1zgg s VAL 65 CO 0.39 0.10 1.00 -1.20 0.00 0.00 0.00 175.10 175.39 1zgg n SER 66 N 5.13 -0.76 -3.50 3.32 7.64 0.45 -4.96 113.62 120.93 1zgg n SER 66 Ca -0.01 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1zgg n SER 66 Cb 0.50 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.30 1zgg n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zgg s SER 67 N -2.47 -0.54 0.31 6.43 0.01 -1.24 -3.91 113.70 112.30 1zgg s SER 67 Ca 0.67 0.38 -0.28 0.00 1.31 0.00 0.00 55.95 58.02 1zgg s SER 67 Cb -0.23 0.49 -0.09 0.00 0.21 0.00 0.00 66.02 66.39 1zgg s SER 67 CO 0.62 -0.65 1.13 -2.16 0.41 0.00 0.00 173.24 172.58 1zgg s PRO 68 N -2.09 4.49 -0.12 12.44 0.04 -1.26 -3.14 135.00 145.36 1zgg s PRO 68 Ca -0.04 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1zgg s PRO 68 Cb -0.00 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1zgg s PRO 68 CO 0.00 0.06 1.67 -1.17 0.04 0.00 0.00 177.00 177.60 1zgg s LEU 69 N -1.73 4.13 0.15 -3.56 2.96 -0.14 -4.82 118.68 115.66 1zgg s LEU 69 Ca 0.48 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 56.40 1zgg s LEU 69 Cb -0.32 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 1zgg s LEU 69 CO 0.41 -1.09 0.00 0.42 -1.32 0.00 0.00 176.35 174.77 1zgg s THR 70 N 4.64 0.56 0.29 3.68 -4.23 -1.26 -4.83 115.64 114.48 1zgg s THR 70 Ca 0.74 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1zgg s THR 70 Cb -0.30 -2.03 0.06 0.00 1.34 0.00 0.00 72.50 71.56 1zgg s THR 70 CO 0.30 -0.54 1.72 -0.08 -0.54 0.00 0.00 174.62 175.47 1zgg h GLU 71 N 2.77 0.40 -0.58 3.99 4.81 -1.98 -1.26 114.58 122.73 1zgg h GLU 71 Ca -0.36 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1zgg h GLU 71 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1zgg h GLU 71 CO 0.62 0.67 0.08 1.05 -0.73 0.00 0.00 179.01 180.70 1zgg h GLU 72 N 0.35 0.95 -0.31 1.92 4.11 -1.98 0.12 114.58 119.75 1zgg h GLU 72 Ca 0.05 -0.24 -0.13 0.00 0.07 0.00 0.00 59.36 59.10 1zgg h GLU 72 Cb 0.71 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1zgg h GLU 72 CO 0.05 0.89 -0.33 1.25 0.07 0.00 0.00 179.01 180.95 1zgg h LEU 73 N 0.90 0.83 -0.52 3.06 5.85 -1.72 -0.72 115.31 122.97 1zgg h LEU 73 Ca 0.18 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1zgg h LEU 73 Cb 0.41 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1zgg h LEU 73 CO 0.01 1.13 0.28 -0.03 -0.34 0.00 0.00 178.44 179.49 1zgg h MET 74 N 0.53 0.52 -0.34 1.25 4.05 -0.92 -0.89 114.93 119.14 1zgg h MET 74 Ca 0.05 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 1zgg h MET 74 Cb 0.91 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 1zgg h MET 74 CO 0.08 0.35 -0.26 0.93 0.23 0.00 0.00 176.91 178.24 1zgg h GLU 75 N 0.54 0.68 -0.36 0.39 5.08 -0.64 -3.09 114.58 117.19 1zgg h GLU 75 Ca 0.23 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1zgg h GLU 75 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1zgg h GLU 75 CO -0.15 0.88 -0.27 0.77 -1.00 0.00 0.00 179.01 179.24 1zgg h SER 76 N 0.59 0.75 -3.88 1.42 0.02 -0.59 -3.45 113.55 108.42 1zgg h SER 76 Ca 0.08 -0.29 -0.47 0.00 -0.84 0.00 0.00 61.79 60.27 1zgg h SER 76 Cb 0.75 -0.21 0.07 0.00 0.14 0.00 0.00 62.40 63.16 1zgg h SER 76 CO 0.06 0.98 0.25 0.00 -1.14 0.00 0.00 176.83 176.98 1zgg s ALA 77 N -4.52 3.15 -0.14 3.77 0.00 -0.39 -4.96 121.76 118.67 1zgg s ALA 77 Ca -0.09 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.27 1zgg s ALA 77 Cb 0.13 -2.69 -0.17 0.00 0.00 0.00 0.00 23.12 20.39 1zgg s ALA 77 CO 0.83 -1.07 0.02 -3.47 0.00 0.00 0.00 175.76 172.08 1zgg n ASP 78 N -2.81 1.67 -3.85 0.00 -0.08 -0.08 -4.95 116.55 106.45 1zgg n ASP 78 Ca 0.06 -0.01 -0.15 0.00 -1.51 0.00 0.00 54.79 53.18 1zgg n ASP 78 Cb 0.59 0.71 -0.15 0.00 2.34 0.00 0.00 41.12 44.61 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1zgg s LEU 79 N -5.15 1.54 -0.05 -2.67 1.98 -0.36 -4.87 118.68 109.10 1zgg s LEU 79 Ca -0.09 -0.02 0.04 0.00 -2.89 0.00 0.00 54.13 51.17 1zgg s LEU 79 Cb 0.04 -0.15 -0.00 0.00 0.66 0.00 0.00 46.19 46.74 1zgg s LEU 79 CO 0.56 -0.05 -0.18 -0.69 -1.89 0.00 0.00 176.35 174.10 1zgg s VAL 80 N 0.54 1.55 -0.33 1.68 1.01 -0.53 -1.09 120.40 123.23 1zgg s VAL 80 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1zgg s VAL 80 Cb -0.08 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 35.07 1zgg s VAL 80 CO -0.01 0.44 0.11 -0.22 0.00 0.00 0.00 175.10 175.43 1zgg s LEU 81 N 0.13 2.62 -0.10 3.92 0.20 0.16 -0.89 118.68 124.73 1zgg s LEU 81 Ca -0.07 -1.86 -0.13 0.00 0.69 0.00 0.00 54.13 52.75 1zgg s LEU 81 Cb -0.13 -0.98 -0.05 0.00 -0.43 0.00 0.00 46.19 44.60 1zgg s LEU 81 CO 0.03 -0.39 0.33 0.00 -0.29 0.00 0.00 176.35 176.03 1zgg s ALA 82 N 1.33 3.66 0.50 5.97 0.00 0.13 -1.48 121.76 131.86 1zgg s ALA 82 Ca 0.11 -0.38 0.16 0.00 0.00 0.00 0.00 51.96 51.86 1zgg s ALA 82 Cb -0.19 -2.35 1.22 0.00 0.00 0.00 0.00 23.12 21.80 1zgg s ALA 82 CO -0.19 0.30 2.10 0.52 0.00 0.00 0.00 175.76 178.49 1zgg h MET 83 N 5.74 0.00 -4.21 0.00 0.00 -1.43 0.10 114.93 115.13 1zgg h MET 83 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 59.70 59.11 1zgg h MET 83 Cb 1.19 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.65 1zgg h MET 83 CO 0.68 0.06 -0.63 0.95 0.00 0.00 0.00 176.91 177.97 1zgg s THR 84 N -4.89 0.19 0.40 2.22 -4.23 -1.26 -4.22 115.64 103.85 1zgg s THR 84 Ca -0.05 -1.74 0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1zgg s THR 84 Cb 0.16 -1.59 0.16 0.00 1.34 0.00 0.00 72.50 72.58 1zgg s THR 84 CO 0.67 -0.86 1.93 1.12 -0.54 0.00 0.00 174.62 176.94 1zgg h HIS 85 N 3.05 0.19 -0.21 3.99 2.07 -1.89 -1.11 115.15 121.23 1zgg h HIS 85 Ca -0.34 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1zgg h HIS 85 Cb 1.16 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 1zgg h HIS 85 CO 0.50 0.33 0.13 0.37 -3.07 0.00 0.00 177.93 176.19 1zgg h GLN 86 N 0.18 0.28 -0.84 5.12 4.15 -1.98 -0.37 115.11 121.64 1zgg h GLN 86 Ca 0.04 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1zgg h GLN 86 Cb 0.36 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1zgg h GLN 86 CO 0.02 0.20 0.41 0.45 -1.93 0.00 0.00 178.83 177.98 1zgg h HIS 87 N 0.27 1.21 -0.42 3.99 3.86 -1.81 0.08 115.15 122.34 1zgg h HIS 87 Ca 0.08 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1zgg h HIS 87 Cb -0.02 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.03 1zgg h HIS 87 CO -0.06 0.87 0.14 -0.22 0.86 0.00 0.00 177.93 179.52 1zgg h LYS 88 N 1.20 0.29 -0.17 2.45 3.64 -0.91 -1.17 116.57 121.90 1zgg h LYS 88 Ca 0.29 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 1zgg h LYS 88 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1zgg h LYS 88 CO -0.04 0.19 -0.37 0.37 -2.27 0.00 0.00 179.45 177.34 1zgg h GLN 89 N 0.30 0.36 -0.35 1.90 4.15 -0.21 -1.20 115.11 120.06 1zgg h GLN 89 Ca 0.19 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1zgg h GLN 89 Cb 0.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1zgg h GLN 89 CO -0.20 0.68 0.10 0.82 -1.93 0.00 0.00 178.83 178.30 1zgg h ILE 90 N 0.31 1.22 -0.45 2.39 2.04 -0.56 0.20 117.51 122.66 1zgg h ILE 90 Ca 0.03 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1zgg h ILE 90 Cb 0.79 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1zgg h ILE 90 CO 0.06 0.24 0.17 0.40 0.00 0.00 0.00 178.15 179.02 1zgg h ILE 91 N 0.42 0.87 -0.78 -0.67 2.04 -0.79 -0.32 117.51 118.28 1zgg h ILE 91 Ca 0.11 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1zgg h ILE 91 Cb 0.27 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1zgg h ILE 91 CO -0.00 0.06 0.52 0.00 0.00 0.00 0.00 178.15 178.73 1zgg h ALA 92 N 1.29 0.99 -0.23 1.87 0.00 -0.99 -1.51 119.26 120.68 1zgg h ALA 92 Ca 0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1zgg h ALA 92 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1zgg h ALA 92 CO -0.21 0.40 -0.32 0.77 0.00 0.00 0.00 179.25 179.89 1zgg h SER 93 N 1.05 0.49 0.78 0.00 0.02 0.26 0.12 113.55 116.27 1zgg h SER 93 Ca 0.29 -0.19 -0.25 0.00 -0.84 0.00 0.00 61.79 60.80 1zgg h SER 93 Cb -0.12 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1zgg h SER 93 CO -0.06 0.78 -1.24 0.06 -1.14 0.00 0.00 176.83 175.23 1zgg h GLN 94 N 0.41 0.07 -0.11 3.45 3.07 -0.84 -3.37 115.11 117.79 1zgg h GLN 94 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1zgg h GLN 94 Cb 0.77 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1zgg h GLN 94 CO 0.06 0.95 0.00 1.19 0.09 0.00 0.00 178.83 181.13 1zgg n PHE 95 N -3.33 0.12 -2.04 0.06 3.72 -0.59 -4.99 117.46 110.40 1zgg n PHE 95 Ca -0.07 -0.07 -0.02 0.00 -0.05 0.00 0.00 57.45 57.24 1zgg n PHE 95 Cb 0.99 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.15 0.44 3.80 1.37 0.00 -0.56 -4.06 105.19 107.32 1zgg n GLY 96 Ca 0.13 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.42 -4.62 0.00 1.61 0.63 0.32 -4.88 116.66 108.30 1zgg n ARG 97 Ca -0.03 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1zgg n ARG 97 Cb 0.52 -5.08 0.00 0.00 0.45 0.00 0.00 32.46 28.34 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 -4.36 0.00 0.32 -0.14 4.19 -1.26 -4.44 117.16 111.47 1zgg n TYR 98 Ca -0.25 -0.20 0.20 0.00 3.31 0.00 0.00 57.90 60.96 1zgg n TYR 98 Cb 0.65 -0.15 1.08 0.00 0.49 0.00 0.00 39.34 41.41 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 0.33 0.00 -0.87 2.98 2.43 -1.89 -3.30 114.38 114.06 1zgg h ARG 99 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1zgg h ARG 99 Cb 0.59 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1zgg h ARG 99 CO 0.00 0.00 0.56 0.22 -1.51 0.00 0.00 179.97 179.24 1zgg h ASP 100 N 0.00 0.72 -0.10 -3.80 3.58 -2.01 -0.84 116.42 113.96 1zgg h ASP 100 Ca 0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1zgg h ASP 100 Cb 0.12 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1zgg h ASP 100 CO -0.00 0.41 0.00 2.29 -2.88 0.00 0.00 179.24 179.06 1zgg n LYS 101 N -4.54 1.75 -3.70 0.28 2.85 -1.24 -4.89 118.16 108.67 1zgg n LYS 101 Ca 0.15 -1.10 -0.36 0.00 -1.05 0.00 0.00 58.31 55.95 1zgg n LYS 101 Cb 0.37 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.88 5.38 0.03 0.58 1.01 -0.32 -1.45 120.40 123.75 1zgg s VAL 102 Ca 0.35 0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.73 1zgg s VAL 102 Cb 0.19 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1zgg s VAL 102 CO 0.30 0.48 -0.20 -0.36 0.00 0.00 0.00 175.10 175.32 1zgg s PHE 103 N -0.05 1.73 0.55 5.22 0.40 -0.07 -4.98 117.98 120.79 1zgg s PHE 103 Ca 0.13 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 1zgg s PHE 103 Cb -0.12 -1.06 -0.06 0.00 0.51 0.00 0.00 43.02 42.29 1zgg s PHE 103 CO 0.02 0.05 1.01 0.99 0.70 0.00 0.00 175.22 177.99 1zgg s THR 104 N -0.70 4.37 0.09 0.64 2.01 -1.26 -0.69 115.64 120.10 1zgg s THR 104 Ca 0.07 1.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.86 1zgg s THR 104 Cb -0.08 -3.65 -0.14 0.00 0.01 0.00 0.00 72.50 68.64 1zgg s THR 104 CO 0.01 -0.71 1.66 0.25 -0.69 0.00 0.00 174.62 175.14 1zgg h LEU 105 N 0.59 -0.60 -0.46 4.42 5.85 -0.90 -0.43 115.31 123.79 1zgg h LEU 105 Ca -0.46 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1zgg h LEU 105 Cb 1.19 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1zgg h LEU 105 CO 0.60 -0.35 -0.46 0.11 -0.34 0.00 0.00 178.44 178.00 1zgg h LYS 106 N -0.54 0.00 -0.68 1.25 1.79 -1.63 -3.30 116.57 113.47 1zgg h LYS 106 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1zgg h LYS 106 Cb 0.47 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1zgg h LYS 106 CO -0.01 0.46 0.32 1.49 -1.08 0.00 0.00 179.45 180.63 1zgg h GLU 107 N 0.00 0.99 0.00 3.15 4.81 -0.43 0.22 114.58 123.31 1zgg h GLU 107 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1zgg h GLU 107 Cb 1.17 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1zgg h GLU 107 CO 0.06 0.79 0.00 -0.92 -0.73 0.00 0.00 179.01 178.21 1zgg h TYR 108 N 0.95 0.00 0.00 0.92 3.20 -1.18 -2.63 116.97 118.23 1zgg h TYR 108 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1zgg h TYR 108 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1zgg h TYR 108 CO 0.01 0.00 -0.20 0.28 -1.64 0.00 0.00 178.16 176.61 1zgg n VAL 109 N -3.01 0.80 0.22 1.81 0.31 -0.87 -4.79 118.33 112.80 1zgg n VAL 109 Ca -0.03 0.26 0.12 0.00 -0.01 0.00 0.00 64.34 64.69 1zgg n VAL 109 Cb 0.07 -1.40 0.22 0.00 -0.91 0.00 0.00 33.84 31.82 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 0.00 0.05 0.00 2.52 1.35 -0.74 -3.47 112.91 112.62 1zgg h THR 110 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1zgg h THR 110 Cb 0.20 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1zgg h THR 110 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1zgg n GLY 111 N 0.99 0.74 2.99 5.82 0.00 -0.99 -5.02 105.19 109.72 1zgg n GLY 111 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.66 0.49 1.61 0.01 -1.26 -4.91 113.70 107.87 1zgg s SER 112 Ca 0.00 -0.26 -0.24 0.00 1.31 0.00 0.00 55.95 56.76 1zgg s SER 112 Cb 0.00 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 1zgg s SER 112 CO 0.00 -0.04 1.42 -1.00 0.41 0.00 0.00 173.24 174.03 1zgg s HIS 113 N -0.59 2.37 0.00 2.43 0.09 -1.26 -1.62 115.29 116.71 1zgg s HIS 113 Ca -0.03 1.29 0.00 0.00 -0.00 0.00 0.00 55.06 56.32 1zgg s HIS 113 Cb -0.05 -3.91 0.00 0.00 -0.00 0.00 0.00 32.58 28.62 1zgg s HIS 113 CO -0.00 -3.01 0.00 0.41 -0.00 0.00 0.00 174.74 172.14 1zgg n GLY 114 N 0.62 -0.40 3.20 -2.22 0.00 -1.26 -4.83 105.19 100.30 1zgg n GLY 114 Ca 0.07 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.36 0.75 1.61 2.15 -1.26 -2.01 116.67 118.26 1zgg s ASP 115 Ca 0.00 -1.32 -0.07 0.00 0.43 0.00 0.00 52.55 51.59 1zgg s ASP 115 Cb 0.00 0.32 0.10 0.00 -0.30 0.00 0.00 42.92 43.03 1zgg s ASP 115 CO 0.00 -0.78 1.06 -0.69 -0.17 0.00 0.00 175.17 174.59 1zgg s VAL 116 N -4.06 2.21 0.05 1.11 1.01 -1.26 -4.89 120.40 114.57 1zgg s VAL 116 Ca 0.33 -0.29 -0.36 0.00 0.00 0.00 0.00 61.98 61.66 1zgg s VAL 116 Cb 0.07 -2.92 -0.16 0.00 0.00 0.00 0.00 36.38 33.37 1zgg s VAL 116 CO 0.08 0.00 1.46 -0.11 0.00 0.00 0.00 175.10 176.54 1zgg n LEU 117 N -3.04 2.11 -4.46 3.92 0.00 -1.26 -4.96 117.00 109.31 1zgg n LEU 117 Ca 0.10 1.10 -0.44 0.00 0.00 0.00 0.00 56.01 56.78 1zgg n LEU 117 Cb 0.60 -1.24 -0.06 0.00 0.00 0.00 0.00 43.42 42.73 1zgg n LEU 117 CO 0.49 -0.77 0.44 -0.62 0.00 0.00 0.00 177.39 176.93 1zgg s ASP 118 N 1.10 6.24 0.00 1.96 2.15 -1.26 -4.87 116.67 121.99 1zgg s ASP 118 Ca 0.85 -0.85 0.29 0.00 0.43 0.00 0.00 52.55 53.28 1zgg s ASP 118 Cb -0.90 -2.33 1.36 0.00 -0.30 0.00 0.00 42.92 40.76 1zgg s ASP 118 CO 0.47 -1.00 1.94 -0.81 -0.17 0.00 0.00 175.17 175.60 1zgg n PRO 119 N 6.51 0.65 -1.65 4.34 -0.04 -1.26 -4.94 135.00 138.62 1zgg n PRO 119 Ca -0.05 -0.16 -0.47 0.00 -0.04 0.00 0.00 63.50 62.79 1zgg n PRO 119 Cb 0.46 -1.50 -0.04 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 -1.04 2.28 -0.05 0.54 7.35 -1.26 -0.48 117.46 124.80 1zgg n PHE 120 Ca 0.15 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1zgg n PHE 120 Cb 0.25 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.39 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 4.76 0.47 3.94 7.13 0.00 -1.26 -5.08 105.19 115.14 1zgg n GLY 121 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.67 1.71 0.91 -0.02 0.00 0.37 -5.10 107.32 103.53 1zgg s GLY 122 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.50 1zgg s GLY 122 CO 0.00 -0.56 1.15 -1.35 0.00 0.00 0.00 173.10 172.34 1zgg s SER 123 N -4.66 3.50 0.46 1.64 1.04 -1.26 -4.88 113.70 109.53 1zgg s SER 123 Ca 0.65 0.91 0.22 0.00 0.48 0.00 0.00 55.95 58.20 1zgg s SER 123 Cb -0.08 -1.44 1.21 0.00 0.10 0.00 0.00 66.02 65.81 1zgg s SER 123 CO 0.47 -2.55 1.89 -0.29 0.98 0.00 0.00 173.24 173.74 1zgg h ILE 124 N -1.50 0.66 -0.83 -1.02 6.09 -1.97 -0.04 117.51 118.91 1zgg h ILE 124 Ca -0.50 -0.09 -0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1zgg h ILE 124 Cb 1.33 0.38 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 1zgg h ILE 124 CO 0.60 0.05 0.50 -0.78 -3.07 0.00 0.00 178.15 175.45 1zgg h ASP 125 N 0.26 0.99 -0.37 2.19 3.58 -1.97 0.16 116.42 121.26 1zgg h ASP 125 Ca 0.43 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.67 1zgg h ASP 125 Cb 1.25 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1zgg h ASP 125 CO -0.11 0.76 -0.38 0.40 -2.88 0.00 0.00 179.24 177.03 1zgg h ILE 126 N 1.14 1.28 -0.49 2.25 1.08 -1.35 0.14 117.51 121.56 1zgg h ILE 126 Ca 0.30 -1.55 -0.09 0.00 -0.39 0.00 0.00 64.86 63.13 1zgg h ILE 126 Cb -0.05 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1zgg h ILE 126 CO -0.06 0.52 -0.05 1.88 -0.69 0.00 0.00 178.15 179.75 1zgg h TYR 127 N 0.71 0.92 -0.58 1.37 0.05 -1.23 -0.50 116.97 117.71 1zgg h TYR 127 Ca 0.06 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 1zgg h TYR 127 Cb 0.97 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1zgg h TYR 127 CO 0.07 0.86 0.12 -0.22 -1.05 0.00 0.00 178.16 177.93 1zgg h LYS 128 N 0.77 0.94 -0.63 4.88 3.11 -0.44 0.10 116.57 125.31 1zgg h LYS 128 Ca 0.14 -0.24 -0.07 0.00 -2.81 0.00 0.00 60.65 57.67 1zgg h LYS 128 Cb 0.53 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.62 1zgg h LYS 128 CO 0.03 0.89 0.11 1.96 -2.81 0.00 0.00 179.45 179.62 1zgg h GLN 129 N 0.84 1.02 -0.12 1.90 1.08 -0.69 -2.60 115.11 116.55 1zgg h GLN 129 Ca 0.18 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1zgg h GLN 129 Cb 0.38 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1zgg h GLN 129 CO 0.01 0.93 0.05 1.15 -0.95 0.00 0.00 178.83 180.02 1zgg h THR 130 N 0.96 1.13 -0.22 -0.54 2.02 -0.77 -2.89 112.91 112.61 1zgg h THR 130 Ca 0.19 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1zgg h THR 130 Cb 0.41 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1zgg h THR 130 CO 0.01 0.12 -0.04 0.08 0.37 0.00 0.00 175.52 176.06 1zgg h ARG 131 N 0.04 0.33 -0.31 6.66 0.11 -0.58 0.12 114.38 120.75 1zgg h ARG 131 Ca 0.04 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 1zgg h ARG 131 Cb 0.15 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1zgg h ARG 131 CO -0.00 0.39 -0.08 0.22 0.10 0.00 0.00 179.97 180.60 1zgg h ASP 132 N 0.32 0.61 -0.30 0.08 3.58 -1.39 0.61 116.42 119.93 1zgg h ASP 132 Ca 0.07 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 57.08 1zgg h ASP 132 Cb 0.29 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1zgg h ASP 132 CO 0.01 0.84 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.05 1zgg h GLU 133 N 0.38 0.58 -0.70 0.28 4.81 -1.19 -2.62 114.58 116.12 1zgg h GLU 133 Ca 0.08 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1zgg h GLU 133 Cb 0.57 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1zgg h GLU 133 CO 0.03 0.78 0.22 1.25 -0.73 0.00 0.00 179.01 180.56 1zgg h LEU 134 N 0.34 1.02 -0.46 1.64 5.85 -0.72 -1.26 115.31 121.72 1zgg h LEU 134 Ca 0.07 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1zgg h LEU 134 Cb 0.57 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1zgg h LEU 134 CO 0.03 0.95 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.88 1zgg h GLU 135 N 1.04 0.89 -0.59 1.25 4.81 -0.83 0.19 114.58 121.34 1zgg h GLU 135 Ca 0.23 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1zgg h GLU 135 Cb 0.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1zgg h GLU 135 CO -0.01 0.99 0.25 1.49 -0.73 0.00 0.00 179.01 181.00 1zgg h GLU 136 N 0.73 0.88 -0.29 1.92 4.57 -1.06 0.95 114.58 122.29 1zgg h GLU 136 Ca 0.12 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1zgg h GLU 136 Cb 0.67 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1zgg h GLU 136 CO 0.05 0.75 0.12 1.25 -1.18 0.00 0.00 179.01 180.00 1zgg h LEU 137 N 0.82 0.38 -1.09 1.64 5.85 -1.12 -2.86 115.31 118.94 1zgg h LEU 137 Ca 0.20 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1zgg h LEU 137 Cb 0.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1zgg h LEU 137 CO -0.02 0.43 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.16 1zgg h LEU 138 N 0.32 0.00 -0.65 2.25 4.07 -0.48 -0.26 115.31 120.55 1zgg h LEU 138 Ca 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1zgg h LEU 138 Cb 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1zgg h LEU 138 CO -0.01 0.28 0.20 -0.09 -1.08 0.00 0.00 178.44 177.74 1zgg h ARG 139 N 0.00 1.02 0.00 1.13 9.65 -0.71 -1.69 114.38 123.78 1zgg h ARG 139 Ca -0.00 -0.22 -0.10 0.00 -1.10 0.00 0.00 59.98 58.56 1zgg h ARG 139 Cb 0.78 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1zgg h ARG 139 CO 0.04 0.89 -0.46 1.96 2.80 0.00 0.00 179.97 185.19 1zgg h GLN 140 N 0.95 0.00 -0.61 0.20 4.20 -0.98 -1.55 115.11 117.32 1zgg h GLN 140 Ca 0.21 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1zgg h GLN 140 Cb 0.30 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1zgg h GLN 140 CO -0.01 0.46 0.37 -0.07 -0.67 0.00 0.00 178.83 178.91 1zgg h LEU 141 N 0.00 0.59 -0.76 1.46 4.07 -0.63 0.27 115.31 120.31 1zgg h LEU 141 Ca -0.00 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1zgg h LEU 141 Cb 0.82 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1zgg h LEU 141 CO 0.06 0.41 0.31 0.00 -1.08 0.00 0.00 178.44 178.14 1zgg h ALA 142 N 1.27 0.99 -0.30 1.53 0.00 -0.85 -1.27 119.26 120.64 1zgg h ALA 142 Ca 0.25 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1zgg h ALA 142 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1zgg h ALA 142 CO -0.11 0.61 0.13 0.87 0.00 0.00 0.00 179.25 180.75 1zgg h LYS 143 N 1.10 0.27 -0.32 0.00 1.57 -0.76 -1.53 116.57 116.90 1zgg h LYS 143 Ca 0.26 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1zgg h LYS 143 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1zgg h LYS 143 CO -0.02 0.18 0.15 1.96 -0.57 0.00 0.00 179.45 181.15 1zgg h GLN 144 N 0.28 0.31 -0.41 3.15 1.08 -0.46 0.82 115.11 119.89 1zgg h GLN 144 Ca 0.13 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1zgg h GLN 144 Cb 0.06 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1zgg h GLN 144 CO -0.10 0.20 -0.13 -0.07 -0.95 0.00 0.00 178.83 177.78 1zgg h LEU 145 N 0.32 0.82 -0.43 1.46 3.38 -1.04 -0.26 115.31 119.56 1zgg h LEU 145 Ca 0.13 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1zgg h LEU 145 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1zgg h LEU 145 CO -0.10 1.01 -0.08 0.11 0.09 0.00 0.00 178.44 179.48 1zgg h LYS 146 N 0.62 0.81 -0.31 1.13 1.57 -1.15 -1.64 116.57 117.61 1zgg h LYS 146 Ca 0.10 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1zgg h LYS 146 Cb 0.67 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1zgg h LYS 146 CO 0.05 0.92 -0.29 -0.22 -0.57 0.00 0.00 179.45 179.33 1zgg h LYS 147 N 0.64 0.74 0.00 3.15 3.64 -0.57 -3.41 116.57 120.77 1zgg h LYS 147 Ca 0.11 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1zgg h LYS 147 Cb 0.60 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1zgg h LYS 147 CO 0.04 1.01 -0.45 -3.47 -2.27 0.00 0.00 179.45 174.30 1zgg n ASP 148 N -4.24 2.27 -3.49 4.20 2.03 -0.13 -5.07 116.55 112.12 1zgg n ASP 148 Ca -0.03 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.03 1zgg n ASP 148 Cb 0.48 0.41 0.02 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.77 -1.75 0.00 -0.67 0.00 -0.62 -5.03 116.66 107.82 1zgg n ARG 149 Ca 0.00 1.25 0.00 0.00 -0.00 0.00 0.00 57.85 59.10 1zgg n ARG 149 Cb 0.04 -3.03 0.00 0.00 0.00 0.00 0.00 32.46 29.47 1zgg n ARG 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50