#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgg s ASP 2 N 0.00 1.25 -0.08 6.12 2.15 -1.25 -1.44 116.67 123.41 1zgg s ASP 2 Ca 0.00 0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.02 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 -0.25 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.99 1zgg s ILE 3 N 2.15 3.19 -0.28 4.11 1.01 -0.43 -0.91 121.20 130.05 1zgg s ILE 3 Ca 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1zgg s ILE 3 Cb -0.12 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 40.09 1zgg s ILE 3 CO -0.04 0.57 -0.00 -0.63 0.00 0.00 0.00 174.94 174.84 1zgg s ILE 4 N -0.37 3.18 0.21 2.92 1.01 -0.27 -0.68 121.20 127.21 1zgg s ILE 4 Ca 0.04 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1zgg s ILE 4 Cb -0.12 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 1zgg s ILE 4 CO 0.02 0.04 0.97 -0.36 0.00 0.00 0.00 174.94 175.61 1zgg s PHE 5 N 1.34 3.90 -0.17 3.97 0.08 -0.12 -0.32 117.98 126.65 1zgg s PHE 5 Ca -0.02 1.86 -0.11 0.00 0.12 0.00 0.00 56.93 58.79 1zgg s PHE 5 Cb -0.18 -3.04 0.06 0.00 -0.57 0.00 0.00 43.02 39.29 1zgg s PHE 5 CO -0.01 0.27 0.42 0.54 -0.10 0.00 0.00 175.22 176.33 1zgg s VAL 6 N -0.86 -0.02 0.00 -0.44 0.11 -0.43 -1.53 120.40 117.22 1zgg s VAL 6 Ca 0.43 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1zgg s VAL 6 Cb -0.26 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1zgg s VAL 6 CO 0.32 0.03 0.00 0.00 -3.33 0.00 0.00 175.10 172.12 1zgg h THR 8 N 0.20 1.21 -0.30 0.00 2.02 -1.93 -1.73 112.91 112.38 1zgg h THR 8 Ca 0.00 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1zgg h THR 8 Cb 0.00 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1zgg h THR 8 CO 0.00 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.78 1zgg n GLY 9 N 0.34 3.17 5.00 2.16 0.00 -1.26 -1.00 105.19 113.61 1zgg n GLY 9 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.14 0.00 0.22 1.61 5.15 -1.26 -4.56 115.26 116.56 1zgg n ASN 10 Ca 0.14 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.27 1zgg n ASN 10 Cb 0.55 0.00 0.70 0.00 -0.53 0.00 0.00 39.78 40.50 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 -0.75 -0.44 1.35 -1.91 -2.69 112.91 108.47 1zgg h THR 11 Ca 0.00 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.65 1zgg h THR 11 Cb 0.00 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.41 1zgg h THR 11 CO 0.00 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 175.77 1zgg n ARG 13 N -4.43 0.00 -0.15 0.00 0.63 -1.23 -4.31 116.66 107.16 1zgg n ARG 13 Ca 0.09 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.98 1zgg n ARG 13 Cb 0.06 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.01 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 -0.48 1.17 6.15 0.02 -1.73 -0.67 113.55 118.03 1zgg h SER 14 Ca 0.00 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1zgg h SER 14 Cb 0.00 0.31 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1zgg h SER 14 CO 0.00 -0.17 -0.10 1.55 -1.14 0.00 0.00 176.83 176.97 1zgg h PRO 15 N -0.01 0.00 -0.04 3.45 0.13 -1.87 -0.95 132.00 132.71 1zgg h PRO 15 Ca 0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1zgg h PRO 15 Cb 0.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1zgg h PRO 15 CO -0.51 0.10 0.02 0.52 -0.23 0.00 0.00 178.00 177.90 1zgg h MET 16 N 0.00 0.06 -0.86 0.86 2.86 -1.49 -1.23 114.93 115.12 1zgg h MET 16 Ca -0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1zgg h MET 16 Cb 0.72 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1zgg h MET 16 CO 0.01 0.18 0.42 0.00 1.06 0.00 0.00 176.91 178.59 1zgg h ALA 17 N 0.87 1.12 -0.22 6.32 0.00 -0.81 -0.16 119.26 126.38 1zgg h ALA 17 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1zgg h ALA 17 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1zgg h ALA 17 CO -0.00 0.67 0.13 1.49 0.00 0.00 0.00 179.25 181.54 1zgg h GLU 18 N 1.23 0.27 -0.33 0.00 4.81 -1.11 0.12 114.58 119.57 1zgg h GLU 18 Ca 0.30 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1zgg h GLU 18 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1zgg h GLU 18 CO -0.04 0.18 -0.31 0.00 -0.73 0.00 0.00 179.01 178.11 1zgg h ALA 19 N 1.09 0.48 -0.51 2.92 0.00 -0.76 -0.80 119.26 121.67 1zgg h ALA 19 Ca 0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1zgg h ALA 19 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1zgg h ALA 19 CO -0.03 0.52 0.00 1.25 0.00 0.00 0.00 179.25 180.99 1zgg h LEU 20 N 0.57 0.88 -0.58 0.00 6.46 -0.94 -1.64 115.31 120.06 1zgg h LEU 20 Ca 0.05 -0.31 -0.15 0.00 -0.12 0.00 0.00 57.88 57.36 1zgg h LEU 20 Cb 0.89 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1zgg h LEU 20 CO 0.08 0.97 -0.50 0.15 -0.62 0.00 0.00 178.44 178.52 1zgg h PHE 21 N 0.76 0.67 -0.89 1.25 3.57 -0.63 -1.15 116.94 120.52 1zgg h PHE 21 Ca 0.14 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1zgg h PHE 21 Cb 0.52 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1zgg h PHE 21 CO 0.04 0.94 0.54 0.87 -2.23 0.00 0.00 178.31 178.46 1zgg h LYS 22 N 0.43 1.20 -0.43 1.11 1.57 -0.95 0.29 116.57 119.79 1zgg h LYS 22 Ca 0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1zgg h LYS 22 Cb 1.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1zgg h LYS 22 CO 0.09 0.84 0.11 0.77 -0.57 0.00 0.00 179.45 180.70 1zgg h SER 23 N 1.22 0.65 -0.21 0.86 0.02 -0.85 0.07 113.55 115.32 1zgg h SER 23 Ca 0.32 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 1zgg h SER 23 Cb -0.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1zgg h SER 23 CO -0.06 0.71 -0.40 0.40 -1.14 0.00 0.00 176.83 176.34 1zgg h ILE 24 N 0.57 1.29 -0.30 3.27 2.04 -0.89 -1.40 117.51 122.08 1zgg h ILE 24 Ca 0.14 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 1zgg h ILE 24 Cb 0.31 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1zgg h ILE 24 CO 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 178.15 178.56 1zgg h ALA 25 N 0.94 1.26 -0.16 1.87 0.00 -0.24 -0.16 119.26 122.76 1zgg h ALA 25 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1zgg h ALA 25 Cb 0.95 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1zgg h ALA 25 CO 0.09 0.49 -0.51 1.49 0.00 0.00 0.00 179.25 180.80 1zgg h GLU 26 N 0.47 0.44 -0.23 0.00 4.81 -0.72 0.30 114.58 119.66 1zgg h GLU 26 Ca 0.09 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1zgg h GLU 26 Cb 0.46 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1zgg h GLU 26 CO 0.03 0.85 0.15 0.00 -0.73 0.00 0.00 179.01 179.30 1zgg h ARG 27 N 0.35 0.30 0.00 1.92 2.47 -0.25 -3.22 114.38 115.94 1zgg h ARG 27 Ca 0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1zgg h ARG 27 Cb 1.02 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1zgg h ARG 27 CO 0.09 0.20 -0.50 0.39 0.56 0.00 0.00 179.97 180.71 1zgg n GLU 28 N -4.93 0.29 -3.05 0.04 -0.58 -0.17 -4.96 120.64 107.29 1zgg n GLU 28 Ca -0.03 0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 1zgg n GLU 28 Cb 0.03 -1.71 0.04 0.00 -0.57 0.00 0.00 31.44 29.22 1zgg n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zgg n GLY 29 N 1.33 -0.17 3.67 0.62 0.00 0.90 -4.98 105.19 106.57 1zgg n GLY 29 Ca 0.04 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.29 4.28 -0.31 0.99 1.43 -0.23 -4.95 118.68 114.59 1zgg s LEU 30 Ca 0.32 2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 55.17 1zgg s LEU 30 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1zgg s LEU 30 CO 0.40 -0.80 2.00 0.21 0.23 0.00 0.00 176.35 178.39 1zgg s ASN 31 N 2.41 5.60 0.29 2.29 3.84 -1.26 -4.85 114.94 123.26 1zgg s ASN 31 Ca 0.64 1.45 -0.12 0.00 0.21 0.00 0.00 52.86 55.04 1zgg s ASN 31 Cb -0.29 -2.52 0.01 0.00 -0.55 0.00 0.00 41.25 37.90 1zgg s ASN 31 CO 0.24 -1.92 0.55 0.54 -2.79 0.00 0.00 177.10 173.72 1zgg s VAL 32 N 7.89 0.00 -0.19 -5.21 0.11 -1.26 -4.21 120.40 117.53 1zgg s VAL 32 Ca 0.88 -1.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.45 1zgg s VAL 32 Cb -0.25 -2.39 0.05 0.00 -1.53 0.00 0.00 36.38 32.26 1zgg s VAL 32 CO 0.33 0.00 0.48 0.21 -3.33 0.00 0.00 175.10 172.79 1zgg s ASN 33 N -3.06 -0.56 -0.04 3.54 2.47 -0.52 -4.90 114.94 111.86 1zgg s ASN 33 Ca 0.22 1.00 -0.02 0.00 0.42 0.00 0.00 52.86 54.48 1zgg s ASN 33 Cb -0.02 0.95 0.03 0.00 -1.45 0.00 0.00 41.25 40.76 1zgg s ASN 33 CO 0.12 -0.18 0.09 0.68 -3.72 0.00 0.00 177.10 174.08 1zgg s VAL 34 N 0.84 -0.04 0.27 -5.21 -7.23 -1.26 -1.31 120.40 106.45 1zgg s VAL 34 Ca -0.05 0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1zgg s VAL 34 Cb -0.05 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1zgg s VAL 34 CO -0.07 0.07 0.21 0.00 -0.31 0.00 0.00 175.10 175.00 1zgg s ARG 35 N 0.92 1.50 0.05 4.82 1.70 0.14 -4.95 118.95 123.13 1zgg s ARG 35 Ca -0.07 -1.84 0.01 0.00 -0.47 0.00 0.00 55.73 53.36 1zgg s ARG 35 Cb -0.10 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1zgg s ARG 35 CO -0.04 -0.53 -0.06 -1.12 -1.08 0.00 0.00 175.30 172.48 1zgg s SER 36 N -3.28 0.73 0.35 -2.89 0.01 -1.26 -0.95 113.70 106.42 1zgg s SER 36 Ca 0.40 -0.71 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 1zgg s SER 36 Cb 0.05 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1zgg s SER 36 CO 0.20 -0.34 0.59 0.00 0.41 0.00 0.00 173.24 174.10 1zgg s ALA 37 N -2.28 0.15 0.01 1.44 0.00 -0.58 -4.71 121.76 115.77 1zgg s ALA 37 Ca -0.04 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1zgg s ALA 37 Cb -0.04 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1zgg s ALA 37 CO -0.03 -0.87 -0.05 0.20 0.00 0.00 0.00 175.76 175.02 1zgg s GLY 38 N -3.16 0.26 0.54 0.00 0.00 -1.11 -3.54 107.32 100.31 1zgg s GLY 38 Ca 0.24 -0.34 0.28 0.00 0.00 0.00 0.00 44.72 44.90 1zgg s GLY 38 CO 0.16 -0.34 2.14 -0.39 0.00 0.00 0.00 173.10 174.68 1zgg h VAL 39 N 4.89 0.57 0.00 1.40 -1.51 -1.18 0.02 116.25 120.45 1zgg h VAL 39 Ca -0.29 -0.34 -0.09 0.00 -1.23 0.00 0.00 66.70 64.75 1zgg h VAL 39 Cb 1.20 1.22 -0.19 0.00 -2.13 0.00 0.00 31.29 31.38 1zgg h VAL 39 CO 0.47 0.08 -0.73 0.49 -1.23 0.00 0.00 177.57 176.65 1zgg n PHE 40 N -3.74 0.00 -1.22 5.19 3.72 -0.17 -4.73 117.46 116.51 1zgg n PHE 40 Ca -0.02 -0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 56.60 1zgg n PHE 40 Cb 0.18 -0.13 0.20 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 -0.56 0.96 0.05 4.37 0.00 -0.81 -4.73 121.76 121.03 1zgg s ALA 41 Ca 0.23 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1zgg s ALA 41 Cb 0.25 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1zgg s ALA 41 CO -0.09 -3.09 -0.05 -1.12 0.00 0.00 0.00 175.76 171.41 1zgg s SER 42 N -3.80 0.65 0.82 0.00 0.01 -1.26 -4.16 113.70 105.96 1zgg s SER 42 Ca 0.68 -0.69 -0.14 0.00 1.31 0.00 0.00 55.95 57.12 1zgg s SER 42 Cb -0.13 0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1zgg s SER 42 CO 0.56 -0.34 0.92 -2.65 0.41 0.00 0.00 173.24 172.13 1zgg n PRO 43 N 1.03 0.08 -1.54 12.44 -0.02 -1.26 -3.18 135.00 142.55 1zgg n PRO 43 Ca -0.20 0.09 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 1zgg n PRO 43 Cb 0.57 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.38 -4.48 -4.83 2.55 5.15 -1.23 -4.95 115.26 105.10 1zgg n ASN 44 Ca 0.11 0.40 -0.30 0.00 -0.60 0.00 0.00 54.58 54.19 1zgg n ASN 44 Cb 0.51 -4.04 0.06 0.00 -0.53 0.00 0.00 39.78 35.78 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1zgg s GLY 45 N -2.41 1.64 0.23 8.20 0.00 -1.19 -4.93 107.32 108.86 1zgg s GLY 45 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 1zgg s GLY 45 CO 0.00 0.24 0.61 -1.59 0.00 0.00 0.00 173.10 172.36 1zgg s LYS 46 N -5.15 1.54 0.27 2.90 -2.85 -1.26 -0.35 119.74 114.84 1zgg s LYS 46 Ca 0.59 -0.88 -0.28 0.00 -1.00 0.00 0.00 55.97 54.40 1zgg s LYS 46 Cb -0.13 0.56 -0.15 0.00 -2.06 0.00 0.00 37.83 36.05 1zgg s LYS 46 CO 0.54 -0.68 0.85 0.00 0.10 0.00 0.00 175.35 176.16 1zgg n ALA 47 N -0.40 -1.03 -1.47 0.59 0.00 -1.00 -4.92 120.51 112.28 1zgg n ALA 47 Ca -0.08 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1zgg n ALA 47 Cb 0.61 -1.89 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 -1.06 3.56 0.47 0.00 -4.23 -1.26 -4.81 115.64 108.31 1zgg s THR 48 Ca 0.60 0.60 0.24 0.00 -1.18 0.00 0.00 61.69 61.96 1zgg s THR 48 Cb -0.76 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.16 1zgg s THR 48 CO 0.59 -0.57 1.71 -0.65 -0.54 0.00 0.00 174.62 175.16 1zgg h PRO 49 N -0.45 0.00 0.00 3.99 0.11 -2.00 -2.17 132.00 131.49 1zgg h PRO 49 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1zgg h PRO 49 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1zgg h PRO 49 CO 0.54 0.00 -1.50 0.72 -0.21 0.00 0.00 178.00 177.55 1zgg n HIS 50 N -2.63 0.00 -0.00 0.65 8.25 -1.26 -3.88 115.22 116.35 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 0.38 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 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 0.27 0.11 -0.56 -1.41 0.00 -1.90 0.34 119.26 116.11 1zgg h ALA 51 Ca -0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1zgg h ALA 51 Cb 1.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1zgg h ALA 51 CO 0.00 -0.37 0.10 -0.24 0.00 0.00 0.00 179.25 178.74 1zgg h VAL 52 N 0.08 1.24 -0.33 0.00 3.04 -1.64 -1.47 116.25 117.17 1zgg h VAL 52 Ca 0.03 -0.91 -0.17 0.00 -1.01 0.00 0.00 66.70 64.64 1zgg h VAL 52 Cb 0.04 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1zgg h VAL 52 CO -0.01 0.34 -0.46 -0.08 -1.01 0.00 0.00 177.57 176.35 1zgg h GLU 53 N 0.85 0.88 -0.66 4.17 4.57 -1.63 0.09 114.58 122.85 1zgg h GLU 53 Ca 0.18 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1zgg h GLU 53 Cb 0.36 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1zgg h GLU 53 CO 0.01 1.15 0.23 0.00 -1.18 0.00 0.00 179.01 179.21 1zgg h ALA 54 N 0.77 0.86 0.00 2.92 0.00 -0.45 0.45 119.26 123.81 1zgg h ALA 54 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1zgg h ALA 54 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zgg h ALA 54 CO 0.11 0.51 -0.60 -0.07 0.00 0.00 0.00 179.25 179.19 1zgg h LEU 55 N 0.94 0.00 -0.63 0.00 -0.00 -1.23 -1.32 115.31 113.07 1zgg h LEU 55 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.99 1zgg h LEU 55 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1zgg h LEU 55 CO -0.01 0.60 -0.03 0.15 -0.00 0.00 0.00 178.44 179.15 1zgg h PHE 56 N 0.00 1.14 -0.35 1.13 3.57 -0.56 0.83 116.94 122.70 1zgg h PHE 56 Ca -0.01 -0.21 -0.12 0.00 3.53 0.00 0.00 57.97 61.16 1zgg h PHE 56 Cb 1.44 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1zgg h PHE 56 CO 0.00 1.02 -0.28 1.49 -2.23 0.00 0.00 178.31 178.31 1zgg h GLU 57 N 0.95 0.73 0.00 1.11 4.22 -0.83 -0.69 114.58 120.07 1zgg h GLU 57 Ca 0.16 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1zgg h GLU 57 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1zgg h GLU 57 CO 0.04 0.93 0.00 1.17 -2.18 0.00 0.00 179.01 178.96 1zgg n LYS 58 N -4.09 0.10 -2.52 1.92 4.81 -0.51 -4.89 118.16 112.99 1zgg n LYS 58 Ca -0.01 0.47 -0.07 0.00 -0.87 0.00 0.00 58.31 57.84 1zgg n LYS 58 Cb 0.46 -1.74 0.03 0.00 0.02 0.00 0.00 35.03 33.80 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 -1.94 -0.87 0.00 5.64 -0.00 -0.27 -4.98 115.22 112.80 1zgg n HIS 59 Ca 0.01 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1zgg n HIS 59 Cb 0.11 -3.20 0.00 0.00 -0.00 0.00 0.00 29.99 26.90 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 -2.22 0.00 -3.49 3.57 5.41 0.18 -5.01 119.36 117.79 1zgg n ILE 60 Ca -0.10 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.46 1zgg n ILE 60 Cb 0.56 -0.16 0.02 0.00 -0.71 0.00 0.00 39.64 39.35 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 -2.61 -1.64 -1.39 0.00 -1.16 -4.91 120.51 107.10 1zgg n ALA 61 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 1zgg n ALA 61 Cb 0.22 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 -2.87 2.60 -3.55 0.00 0.00 -1.26 -4.97 117.00 106.94 1zgg n LEU 62 Ca -0.13 1.15 -0.07 0.00 0.00 0.00 0.00 56.01 56.97 1zgg n LEU 62 Cb 0.59 -1.36 -0.08 0.00 0.00 0.00 0.00 43.42 42.57 1zgg n LEU 62 CO 0.61 -0.80 0.05 0.21 0.00 0.00 0.00 177.39 177.46 1zgg s ASN 63 N 0.05 -0.37 -0.09 1.96 3.84 -1.26 -4.90 114.94 114.17 1zgg s ASN 63 Ca 0.67 0.90 -0.15 0.00 0.21 0.00 0.00 52.86 54.49 1zgg s ASN 63 Cb -0.70 1.50 0.03 0.00 -0.55 0.00 0.00 41.25 41.54 1zgg s ASN 63 CO 0.53 -0.25 0.37 -2.28 -2.79 0.00 0.00 177.10 172.68 1zgg s HIS 64 N 2.66 -0.33 -0.13 0.43 2.46 -1.26 -5.06 115.29 114.06 1zgg s HIS 64 Ca 0.03 0.72 -0.00 0.00 0.47 0.00 0.00 55.06 56.28 1zgg s HIS 64 Cb -0.13 0.14 0.03 0.00 -0.13 0.00 0.00 32.58 32.48 1zgg s HIS 64 CO -0.15 -0.30 -0.09 0.08 -2.47 0.00 0.00 174.74 171.81 1zgg s VAL 65 N -0.49 1.16 1.05 0.89 1.01 -1.26 -2.38 120.40 120.38 1zgg s VAL 65 Ca -0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1zgg s VAL 65 Cb -0.04 -1.17 0.22 0.00 0.00 0.00 0.00 36.38 35.40 1zgg s VAL 65 CO 0.02 0.36 1.08 -0.44 0.00 0.00 0.00 175.10 176.12 1zgg s SER 66 N 1.65 1.88 0.09 3.32 0.01 0.53 -4.87 113.70 116.31 1zgg s SER 66 Ca 0.04 1.79 -0.25 0.00 1.31 0.00 0.00 55.95 58.84 1zgg s SER 66 Cb -0.13 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 63.77 1zgg s SER 66 CO -0.09 -3.69 0.65 -0.44 0.41 0.00 0.00 173.24 170.08 1zgg s SER 67 N -2.63 -0.57 0.65 2.44 0.01 -1.25 -3.48 113.70 108.87 1zgg s SER 67 Ca 0.67 0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 1zgg s SER 67 Cb -0.24 0.56 -0.00 0.00 0.21 0.00 0.00 66.02 66.56 1zgg s SER 67 CO 0.62 -0.85 1.12 -2.16 0.41 0.00 0.00 173.24 172.37 1zgg s PRO 68 N -3.06 2.80 -0.46 12.44 0.04 -1.26 -2.76 135.00 142.74 1zgg s PRO 68 Ca -0.02 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.18 1zgg s PRO 68 Cb -0.01 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1zgg s PRO 68 CO -0.07 -1.25 1.05 -1.17 0.04 0.00 0.00 177.00 175.59 1zgg s LEU 69 N -4.79 3.80 0.27 -3.56 2.96 -0.02 -4.67 118.68 112.66 1zgg s LEU 69 Ca 0.68 0.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1zgg s LEU 69 Cb -0.21 -3.41 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1zgg s LEU 69 CO 0.40 -1.15 -0.03 0.42 -1.32 0.00 0.00 176.35 174.67 1zgg s THR 70 N 4.13 1.42 0.31 3.68 -4.23 -1.26 -4.83 115.64 114.86 1zgg s THR 70 Ca 0.43 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1zgg s THR 70 Cb -0.09 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1zgg s THR 70 CO 0.29 -0.30 1.74 -0.08 -0.54 0.00 0.00 174.62 175.73 1zgg h GLU 71 N 2.33 0.24 -0.75 3.99 4.81 -1.98 -1.78 114.58 121.44 1zgg h GLU 71 Ca -0.39 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1zgg h GLU 71 Cb 1.23 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1zgg h GLU 71 CO 0.67 0.58 0.29 1.05 -0.73 0.00 0.00 179.01 180.86 1zgg h GLU 72 N 0.21 1.12 -0.39 1.92 4.11 -1.98 0.16 114.58 119.73 1zgg h GLU 72 Ca 0.02 -0.21 -0.11 0.00 0.07 0.00 0.00 59.36 59.14 1zgg h GLU 72 Cb 0.74 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1zgg h GLU 72 CO 0.06 0.92 -0.17 1.25 0.07 0.00 0.00 179.01 181.13 1zgg h LEU 73 N 1.09 0.83 -0.74 3.06 5.85 -1.76 -0.97 115.31 122.68 1zgg h LEU 73 Ca 0.25 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1zgg h LEU 73 Cb 0.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1zgg h LEU 73 CO -0.02 1.04 0.49 -0.03 -0.34 0.00 0.00 178.44 179.58 1zgg h MET 74 N 0.61 0.96 -0.32 1.25 1.85 -0.74 -0.89 114.93 117.65 1zgg h MET 74 Ca 0.09 -0.06 -0.13 0.00 -0.61 0.00 0.00 59.70 58.99 1zgg h MET 74 Cb 0.72 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 1zgg h MET 74 CO 0.05 0.63 -0.32 0.93 -0.40 0.00 0.00 176.91 177.80 1zgg h GLU 75 N 0.99 0.70 -0.57 0.39 5.08 -0.60 -3.11 114.58 117.46 1zgg h GLU 75 Ca 0.28 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1zgg h GLU 75 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1zgg h GLU 75 CO -0.07 0.93 -0.01 0.77 -1.00 0.00 0.00 179.01 179.63 1zgg h SER 76 N 0.59 0.99 -3.74 1.42 0.02 -0.58 -3.45 113.55 108.80 1zgg h SER 76 Ca 0.07 -0.28 -0.46 0.00 -0.84 0.00 0.00 61.79 60.28 1zgg h SER 76 Cb 0.84 -0.26 0.09 0.00 0.14 0.00 0.00 62.40 63.21 1zgg h SER 76 CO 0.07 1.05 0.27 0.00 -1.14 0.00 0.00 176.83 177.08 1zgg s ALA 77 N -4.99 3.01 0.00 3.77 0.00 -0.39 -4.97 121.76 118.18 1zgg s ALA 77 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1zgg s ALA 77 Cb 0.14 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1zgg s ALA 77 CO 0.85 -1.54 0.00 -3.47 0.00 0.00 0.00 175.76 171.60 1zgg n ASP 78 N -3.09 1.56 -3.96 0.00 2.03 -0.21 -4.95 116.55 107.92 1zgg n ASP 78 Ca 0.10 -0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.11 1zgg n ASP 78 Cb 0.60 0.62 -0.14 0.00 -0.72 0.00 0.00 41.12 41.48 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1zgg s LEU 79 N -1.54 2.07 -0.04 -2.67 2.96 -0.09 -4.93 118.68 114.43 1zgg s LEU 79 Ca 0.00 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1zgg s LEU 79 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 46.19 46.50 1zgg s LEU 79 CO 0.00 -0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.16 1zgg s VAL 80 N -0.40 1.38 -0.35 1.68 1.01 -0.33 -1.12 120.40 122.27 1zgg s VAL 80 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1zgg s VAL 80 Cb -0.04 -1.18 0.11 0.00 0.00 0.00 0.00 36.38 35.28 1zgg s VAL 80 CO -0.00 0.40 0.14 -0.22 0.00 0.00 0.00 175.10 175.42 1zgg s LEU 81 N 0.02 2.29 -0.02 3.92 0.20 0.56 -1.11 118.68 124.53 1zgg s LEU 81 Ca -0.03 -1.95 -0.22 0.00 0.69 0.00 0.00 54.13 52.63 1zgg s LEU 81 Cb -0.11 -0.88 -0.05 0.00 -0.43 0.00 0.00 46.19 44.72 1zgg s LEU 81 CO 0.02 -0.37 0.65 0.00 -0.29 0.00 0.00 176.35 176.36 1zgg s ALA 82 N 1.24 3.42 0.46 5.97 0.00 0.09 -1.31 121.76 131.63 1zgg s ALA 82 Ca 0.12 0.09 0.26 0.00 0.00 0.00 0.00 51.96 52.43 1zgg s ALA 82 Cb -0.20 -2.84 1.45 0.00 0.00 0.00 0.00 23.12 21.53 1zgg s ALA 82 CO -0.16 0.06 2.10 0.52 0.00 0.00 0.00 175.76 178.27 1zgg h MET 83 N 6.05 0.00 -4.15 0.00 2.86 -1.32 0.50 114.93 118.87 1zgg h MET 83 Ca -0.43 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.06 1zgg h MET 83 Cb 1.20 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.72 1zgg h MET 83 CO 0.72 0.10 -0.46 0.95 1.06 0.00 0.00 176.91 179.28 1zgg s THR 84 N -4.37 0.06 0.41 2.22 -4.23 -1.26 -4.48 115.64 103.99 1zgg s THR 84 Ca -0.03 -1.65 0.10 0.00 -1.18 0.00 0.00 61.69 58.92 1zgg s THR 84 Cb 0.14 -2.03 0.20 0.00 1.34 0.00 0.00 72.50 72.15 1zgg s THR 84 CO 0.60 -0.29 1.98 1.12 -0.54 0.00 0.00 174.62 177.49 1zgg h HIS 85 N 2.64 0.28 -0.50 3.99 2.07 -1.88 -1.26 115.15 120.50 1zgg h HIS 85 Ca -0.33 -0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 1zgg h HIS 85 Cb 1.22 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 31.09 1zgg h HIS 85 CO 0.40 0.31 0.25 0.37 -3.07 0.00 0.00 177.93 176.20 1zgg h GLN 86 N 0.28 0.72 -0.72 5.12 5.75 -1.98 -0.43 115.11 123.85 1zgg h GLN 86 Ca 0.06 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1zgg h GLN 86 Cb 0.21 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1zgg h GLN 86 CO 0.01 0.58 0.32 0.45 -2.65 0.00 0.00 178.83 177.54 1zgg h HIS 87 N 0.67 1.06 -0.67 3.99 3.86 -1.75 -0.43 115.15 121.88 1zgg h HIS 87 Ca 0.17 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.38 1zgg h HIS 87 Cb 0.09 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.18 1zgg h HIS 87 CO -0.01 0.80 0.38 -0.22 0.86 0.00 0.00 177.93 179.74 1zgg h LYS 88 N 1.02 0.68 -0.14 2.45 3.64 -0.79 -0.91 116.57 122.52 1zgg h LYS 88 Ca 0.24 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1zgg h LYS 88 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1zgg h LYS 88 CO -0.03 0.45 -0.47 1.96 -2.27 0.00 0.00 179.45 179.10 1zgg h GLN 89 N 0.70 0.36 -0.12 1.90 1.08 -0.65 -0.98 115.11 117.41 1zgg h GLN 89 Ca 0.30 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1zgg h GLN 89 Cb 0.17 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1zgg h GLN 89 CO -0.17 0.75 0.06 0.82 -0.95 0.00 0.00 178.83 179.34 1zgg h ILE 90 N 0.29 1.10 -0.28 2.54 2.04 -0.43 -1.61 117.51 121.17 1zgg h ILE 90 Ca 0.02 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1zgg h ILE 90 Cb 0.93 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1zgg h ILE 90 CO 0.08 0.09 -0.01 0.40 0.00 0.00 0.00 178.15 178.71 1zgg h ILE 91 N 0.08 0.78 0.00 -0.67 2.04 -0.93 0.17 117.51 118.98 1zgg h ILE 91 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1zgg h ILE 91 Cb 0.09 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1zgg h ILE 91 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1zgg n ALA 92 N -2.44 2.16 0.00 1.87 0.00 -0.40 -1.70 120.51 120.00 1zgg n ALA 92 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1zgg n ALA 92 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1zgg n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zgg n SER 93 N -0.88 4.75 0.09 0.00 7.64 -0.38 -2.81 113.62 122.02 1zgg n SER 93 Ca 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.82 1zgg n SER 93 Cb 0.05 0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 1zgg n SER 93 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1zgg h GLN 94 N 0.00 0.41 -0.00 1.43 3.07 -0.41 -3.24 115.11 116.36 1zgg h GLN 94 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 58.65 58.17 1zgg h GLN 94 Cb 0.68 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.43 1zgg h GLN 94 CO 0.00 1.23 -0.54 1.19 0.09 0.00 0.00 178.83 180.80 1zgg n PHE 95 N -3.67 0.00 -0.22 0.06 3.72 -0.69 -5.08 117.46 111.58 1zgg n PHE 95 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1zgg n PHE 95 Cb 0.96 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1zgg n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zgg n GLY 96 N 1.46 -2.59 1.99 1.37 0.00 -1.23 -4.69 105.19 101.50 1zgg n GLY 96 Ca 0.07 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.78 1.37 0.00 1.61 3.00 -1.12 -3.88 116.66 116.85 1zgg n ARG 97 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.85 57.26 1zgg n ARG 97 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1zgg n TYR 98 N 2.37 0.00 0.34 -0.14 4.02 -1.26 -4.23 117.16 118.26 1zgg n TYR 98 Ca 0.25 -0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.36 1zgg n TYR 98 Cb 0.64 -0.03 1.13 0.00 -0.02 0.00 0.00 39.34 41.06 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 0.72 0.00 -0.54 -0.72 2.43 -1.89 -3.17 114.38 111.20 1zgg h ARG 99 Ca 0.00 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1zgg h ARG 99 Cb 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1zgg h ARG 99 CO 0.00 0.00 0.48 0.22 -1.51 0.00 0.00 179.97 179.16 1zgg h ASP 100 N 0.00 0.00 -0.05 -3.80 3.58 -1.99 -0.96 116.42 113.20 1zgg h ASP 100 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zgg h ASP 100 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1zgg h ASP 100 CO 0.00 0.00 0.00 2.29 -2.88 0.00 0.00 179.24 178.65 1zgg n LYS 101 N -3.94 2.86 -3.50 0.28 2.85 -1.20 -4.98 118.16 110.54 1zgg n LYS 101 Ca 0.10 -1.55 -0.38 0.00 -1.05 0.00 0.00 58.31 55.44 1zgg n LYS 101 Cb 0.70 -1.04 -0.06 0.00 -0.65 0.00 0.00 35.03 33.98 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 -0.97 5.02 0.05 0.58 1.01 -0.37 -1.19 120.40 124.53 1zgg s VAL 102 Ca 0.03 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1zgg s VAL 102 Cb 0.02 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1zgg s VAL 102 CO 0.02 0.53 -0.08 -0.36 0.00 0.00 0.00 175.10 175.22 1zgg s PHE 103 N -1.13 0.70 0.61 5.22 0.40 -0.27 -4.96 117.98 118.55 1zgg s PHE 103 Ca 0.25 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 1zgg s PHE 103 Cb -0.16 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.91 1zgg s PHE 103 CO 0.14 -0.10 1.02 0.99 0.70 0.00 0.00 175.22 177.98 1zgg s THR 104 N -1.74 4.59 0.11 0.64 2.01 -1.26 -0.73 115.64 119.26 1zgg s THR 104 Ca -0.07 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 62.65 1zgg s THR 104 Cb -0.08 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 1zgg s THR 104 CO -0.00 -1.02 1.75 0.25 -0.69 0.00 0.00 174.62 174.91 1zgg h LEU 105 N -0.10 0.06 -0.19 4.42 5.85 -0.99 -0.87 115.31 123.50 1zgg h LEU 105 Ca -0.45 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 1zgg h LEU 105 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1zgg h LEU 105 CO 0.61 0.05 -0.20 0.11 -0.34 0.00 0.00 178.44 178.68 1zgg h LYS 106 N 0.11 0.48 -0.81 1.25 1.79 -1.69 -3.36 116.57 114.34 1zgg h LYS 106 Ca 0.05 -0.25 0.16 0.00 -2.18 0.00 0.00 60.65 58.43 1zgg h LYS 106 Cb 0.02 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.58 1zgg h LYS 106 CO -0.05 0.83 0.35 1.49 -1.08 0.00 0.00 179.45 180.99 1zgg h GLU 107 N 0.14 0.45 0.00 3.15 4.81 -0.70 0.22 114.58 122.65 1zgg h GLU 107 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zgg h GLU 107 Cb 0.75 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1zgg h GLU 107 CO 0.05 0.30 0.00 -0.92 -0.73 0.00 0.00 179.01 177.71 1zgg h TYR 108 N 0.46 0.00 0.00 0.92 3.20 -1.34 -1.48 116.97 118.74 1zgg h TYR 108 Ca 0.46 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.29 1zgg h TYR 108 Cb 0.75 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1zgg h TYR 108 CO -0.15 0.00 -1.11 0.28 -1.64 0.00 0.00 178.16 175.54 1zgg n VAL 109 N -2.58 0.16 0.12 1.81 0.31 0.47 -4.74 118.33 113.88 1zgg n VAL 109 Ca -0.01 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1zgg n VAL 109 Cb 0.11 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.09 1.09 0.00 2.52 1.35 -0.82 -3.48 112.91 113.49 1zgg h THR 110 Ca -0.06 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1zgg h THR 110 Cb 1.03 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1zgg h THR 110 CO -0.04 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1zgg n GLY 111 N 1.23 0.73 2.92 5.82 0.00 -0.56 -5.02 105.19 110.32 1zgg n GLY 111 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.34 0.15 0.31 1.61 0.01 -1.25 -4.95 113.70 107.25 1zgg s SER 112 Ca 0.00 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 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 -0.12 1.29 1.41 0.41 0.00 0.00 173.24 176.23 1zgg n HIS 113 N 2.45 2.16 0.00 2.43 -0.00 -1.26 -2.02 115.22 118.97 1zgg n HIS 113 Ca -0.17 0.54 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1zgg n HIS 113 Cb 0.58 -2.41 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 1.14 0.19 3.20 -1.41 0.00 -1.26 -4.84 105.19 102.21 1zgg n GLY 114 Ca 0.07 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 1zgg n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zgg n ASP 115 N 0.00 -0.78 -4.66 1.61 5.75 -1.26 -2.13 116.55 115.07 1zgg n ASP 115 Ca 0.00 -3.14 -0.24 0.00 -0.01 0.00 0.00 54.79 51.41 1zgg n ASP 115 Cb 0.00 1.77 -0.08 0.00 -1.03 0.00 0.00 41.12 41.78 1zgg n ASP 115 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1zgg s VAL 116 N -3.28 2.89 0.26 2.12 1.01 -1.26 -4.79 120.40 117.36 1zgg s VAL 116 Ca 0.38 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1zgg s VAL 116 Cb 0.02 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.40 1zgg s VAL 116 CO 0.27 -0.23 1.16 -0.11 0.00 0.00 0.00 175.10 176.20 1zgg n LEU 117 N -1.00 2.25 -4.38 3.92 0.00 -1.26 -4.96 117.00 111.56 1zgg n LEU 117 Ca -0.04 1.17 -0.43 0.00 0.00 0.00 0.00 56.01 56.71 1zgg n LEU 117 Cb 0.61 -1.33 -0.09 0.00 0.00 0.00 0.00 43.42 42.61 1zgg n LEU 117 CO 0.42 -1.06 -0.04 -0.62 0.00 0.00 0.00 177.39 176.09 1zgg s ASP 118 N -0.23 6.00 0.00 1.96 2.15 -1.26 -4.85 116.67 120.44 1zgg s ASP 118 Ca 0.63 -1.21 0.28 0.00 0.43 0.00 0.00 52.55 52.68 1zgg s ASP 118 Cb -0.70 -2.12 1.01 0.00 -0.30 0.00 0.00 42.92 40.80 1zgg s ASP 118 CO 0.57 -0.54 1.72 -0.81 -0.17 0.00 0.00 175.17 175.93 1zgg n PRO 119 N 5.12 0.93 -1.72 4.34 -0.04 -1.26 -4.90 135.00 137.46 1zgg n PRO 119 Ca -0.12 -0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 62.46 1zgg n PRO 119 Cb 0.45 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1zgg n PRO 119 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1zgg s PHE 120 N -2.39 1.37 0.00 0.54 5.36 -1.26 -0.47 117.98 121.13 1zgg s PHE 120 Ca 0.29 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1zgg s PHE 120 Cb 0.20 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1zgg s PHE 120 CO 0.47 -4.90 0.00 0.41 -1.46 0.00 0.00 175.22 169.74 1zgg n GLY 121 N 4.80 0.76 3.94 13.12 0.00 -1.26 -5.08 105.19 121.48 1zgg n GLY 121 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.53 1.72 0.93 -0.02 0.00 0.38 -5.10 107.32 103.71 1zgg s GLY 122 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1zgg s GLY 122 CO 0.00 -0.65 1.13 -1.35 0.00 0.00 0.00 173.10 172.23 1zgg s SER 123 N -4.63 3.29 0.48 1.64 1.04 -1.26 -4.89 113.70 109.37 1zgg s SER 123 Ca 0.64 1.02 0.22 0.00 0.48 0.00 0.00 55.95 58.32 1zgg s SER 123 Cb -0.08 -1.63 1.25 0.00 0.10 0.00 0.00 66.02 65.66 1zgg s SER 123 CO 0.46 -2.70 1.91 -0.29 0.98 0.00 0.00 173.24 173.61 1zgg h ILE 124 N -1.60 0.69 -0.76 -1.02 6.09 -1.97 -0.17 117.51 118.77 1zgg h ILE 124 Ca -0.52 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 62.89 1zgg h ILE 124 Cb 1.33 0.46 -0.04 0.00 0.47 0.00 0.00 36.82 39.05 1zgg h ILE 124 CO 0.61 0.04 0.44 -0.78 -3.07 0.00 0.00 178.15 175.39 1zgg h ASP 125 N 0.21 0.93 -0.31 2.19 3.58 -1.97 0.50 116.42 121.54 1zgg h ASP 125 Ca 0.38 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.61 1zgg h ASP 125 Cb 1.18 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1zgg h ASP 125 CO -0.08 0.72 -0.39 0.40 -2.88 0.00 0.00 179.24 177.02 1zgg h ILE 126 N 1.06 1.28 -0.69 2.25 1.08 -1.37 0.11 117.51 121.23 1zgg h ILE 126 Ca 0.27 -1.57 -0.05 0.00 -0.39 0.00 0.00 64.86 63.12 1zgg h ILE 126 Cb -0.02 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 1zgg h ILE 126 CO -0.05 0.52 0.22 1.88 -0.69 0.00 0.00 178.15 180.03 1zgg h TYR 127 N 0.71 1.08 -0.14 1.37 0.05 -1.31 -0.64 116.97 118.09 1zgg h TYR 127 Ca 0.06 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 1zgg h TYR 127 Cb 0.97 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1zgg h TYR 127 CO 0.06 0.86 -0.29 -0.22 -1.05 0.00 0.00 178.16 177.51 1zgg h LYS 128 N 1.01 0.27 -0.34 4.88 3.11 -0.38 0.69 116.57 125.81 1zgg h LYS 128 Ca 0.22 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 1zgg h LYS 128 Cb 0.28 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1zgg h LYS 128 CO -0.01 0.54 -0.13 1.96 -2.81 0.00 0.00 179.45 179.00 1zgg h GLN 129 N 0.24 0.69 -0.23 1.90 4.20 -0.40 -3.12 115.11 118.39 1zgg h GLN 129 Ca 0.03 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1zgg h GLN 129 Cb 0.64 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1zgg h GLN 129 CO 0.05 0.88 0.12 1.15 -0.67 0.00 0.00 178.83 180.35 1zgg h THR 130 N 0.47 1.14 0.00 -0.54 2.02 -0.65 -2.91 112.91 112.44 1zgg h THR 130 Ca 0.08 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1zgg h THR 130 Cb 0.65 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1zgg h THR 130 CO 0.04 0.13 -0.21 0.08 0.37 0.00 0.00 175.52 175.93 1zgg h ARG 131 N 0.25 0.00 -0.29 6.66 0.11 -0.91 0.96 114.38 121.16 1zgg h ARG 131 Ca 0.08 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.07 1zgg h ARG 131 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1zgg h ARG 131 CO -0.01 0.21 -0.18 0.22 0.10 0.00 0.00 179.97 180.31 1zgg h ASP 132 N 0.00 0.66 -0.35 0.08 3.58 -1.45 0.42 116.42 119.36 1zgg h ASP 132 Ca -0.00 -0.43 -0.09 0.00 0.42 0.00 0.00 57.03 56.93 1zgg h ASP 132 Cb 0.38 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1zgg h ASP 132 CO 0.03 0.95 -0.14 -0.08 -2.88 0.00 0.00 179.24 177.12 1zgg h GLU 133 N 0.38 0.72 -0.64 0.28 4.81 -1.26 -2.94 114.58 115.93 1zgg h GLU 133 Ca 0.06 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1zgg h GLU 133 Cb 0.72 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1zgg h GLU 133 CO 0.05 0.90 0.19 1.25 -0.73 0.00 0.00 179.01 180.67 1zgg h LEU 134 N 0.50 0.91 -0.39 1.64 5.85 -0.76 -1.19 115.31 121.87 1zgg h LEU 134 Ca 0.08 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1zgg h LEU 134 Cb 0.67 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1zgg h LEU 134 CO 0.05 0.85 0.11 -0.08 -0.34 0.00 0.00 178.44 179.02 1zgg h GLU 135 N 0.94 0.61 -0.65 1.25 4.81 -0.88 0.17 114.58 120.83 1zgg h GLU 135 Ca 0.21 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1zgg h GLU 135 Cb 0.28 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1zgg h GLU 135 CO -0.01 0.63 0.15 1.49 -0.73 0.00 0.00 179.01 180.54 1zgg h GLU 136 N 0.48 1.04 -0.23 1.92 4.81 -1.25 0.54 114.58 121.89 1zgg h GLU 136 Ca 0.12 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1zgg h GLU 136 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1zgg h GLU 136 CO -0.00 0.94 0.10 1.25 -0.73 0.00 0.00 179.01 180.57 1zgg h LEU 137 N 0.96 0.32 -0.51 1.64 5.85 -1.10 -2.58 115.31 119.89 1zgg h LEU 137 Ca 0.20 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1zgg h LEU 137 Cb 0.37 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1zgg h LEU 137 CO 0.00 0.38 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.06 1zgg h LEU 138 N 0.23 0.00 -0.41 2.25 4.07 -0.53 0.18 115.31 121.10 1zgg h LEU 138 Ca 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1zgg h LEU 138 Cb 0.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1zgg h LEU 138 CO -0.01 0.36 0.08 -0.09 -1.08 0.00 0.00 178.44 177.70 1zgg h ARG 139 N 0.00 0.66 -0.14 1.13 2.43 -0.86 -0.17 114.38 117.44 1zgg h ARG 139 Ca -0.00 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1zgg h ARG 139 Cb 1.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1zgg h ARG 139 CO 0.05 0.70 -0.24 1.96 -1.51 0.00 0.00 179.97 180.92 1zgg h GLN 140 N 0.52 0.24 -0.34 0.20 1.08 -0.97 -1.84 115.11 114.01 1zgg h GLN 140 Ca 0.13 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 1zgg h GLN 140 Cb 0.35 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1zgg h GLN 140 CO 0.01 0.48 -0.24 1.25 -0.95 0.00 0.00 178.83 179.37 1zgg h LEU 141 N 0.22 0.68 -0.39 1.46 6.46 -0.27 0.12 115.31 123.60 1zgg h LEU 141 Ca 0.04 -0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 1zgg h LEU 141 Cb 0.55 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1zgg h LEU 141 CO 0.04 0.90 -0.11 0.00 -0.62 0.00 0.00 178.44 178.64 1zgg h ALA 142 N 1.15 0.53 -0.50 1.25 0.00 -0.76 0.01 119.26 120.95 1zgg h ALA 142 Ca 0.08 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 142 Cb 0.72 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1zgg h ALA 142 CO 0.06 0.41 0.18 -0.22 0.00 0.00 0.00 179.25 179.68 1zgg h LYS 143 N 0.56 0.35 0.23 0.00 3.64 -1.09 -1.29 116.57 118.97 1zgg h LYS 143 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1zgg h LYS 143 Cb 0.64 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1zgg h LYS 143 CO 0.04 0.23 -0.21 1.96 -2.27 0.00 0.00 179.45 179.20 1zgg h GLN 144 N 0.36 -0.46 -0.59 1.90 1.08 -0.40 -0.03 115.11 116.97 1zgg h GLN 144 Ca 0.24 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.51 1zgg h GLN 144 Cb 0.25 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 1zgg h GLN 144 CO -0.24 -0.30 0.33 -0.07 -0.95 0.00 0.00 178.83 177.60 1zgg h LEU 145 N -0.47 0.50 -0.32 1.46 3.38 -0.57 0.96 115.31 120.25 1zgg h LEU 145 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1zgg h LEU 145 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1zgg h LEU 145 CO -0.04 0.34 0.07 0.11 0.09 0.00 0.00 178.44 179.02 1zgg h LYS 146 N 0.63 0.51 -0.43 1.13 1.57 -1.14 -3.26 116.57 115.58 1zgg h LYS 146 Ca 0.25 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1zgg h LYS 146 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1zgg h LYS 146 CO -0.15 0.58 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.87 1zgg h LYS 147 N 0.35 0.92 -2.64 3.15 3.64 -0.25 -3.44 116.57 118.30 1zgg h LYS 147 Ca 0.10 -0.41 -0.13 0.00 -1.27 0.00 0.00 60.65 58.94 1zgg h LYS 147 Cb 0.30 -0.02 -0.28 0.00 -0.41 0.00 0.00 32.23 31.82 1zgg h LYS 147 CO 0.00 1.07 -0.38 0.34 -2.27 0.00 0.00 179.45 178.21 1zgg s ASP 148 N -6.66 -0.24 -1.43 4.20 2.15 0.26 -5.05 116.67 109.91 1zgg s ASP 148 Ca -0.12 0.87 -0.10 0.00 0.43 0.00 0.00 52.55 53.63 1zgg s ASP 148 Cb 0.11 1.02 -0.07 0.00 -0.30 0.00 0.00 42.92 43.68 1zgg s ASP 148 CO 0.86 -0.22 2.65 -1.14 -0.17 0.00 0.00 175.17 177.15 1zgg n ARG 149 N 4.98 3.17 0.00 4.34 3.00 -1.25 -4.07 116.66 126.83 1zgg n ARG 149 Ca -0.14 -2.10 0.00 0.00 -0.00 0.00 0.00 57.85 55.61 1zgg n ARG 149 Cb 0.51 -2.81 0.00 0.00 0.00 0.00 0.00 32.46 30.16 1zgg n ARG 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50