#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 -0.16 0.08 6.12 2.15 -1.26 -0.85 116.67 122.75 1zgg s ASP 2 Ca 0.00 0.57 0.09 0.00 0.43 0.00 0.00 52.55 53.63 1zgg s ASP 2 Cb 0.00 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1zgg s ASP 2 CO 0.00 -0.18 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.96 1zgg s ILE 3 N 1.51 1.87 -0.18 4.11 1.01 -0.41 -0.55 121.20 128.56 1zgg s ILE 3 Ca -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.15 1zgg s ILE 3 Cb -0.11 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1zgg s ILE 3 CO -0.09 0.14 -0.08 -0.63 0.00 0.00 0.00 174.94 174.28 1zgg s ILE 4 N -0.95 1.41 0.07 2.92 1.01 -0.27 -0.70 121.20 124.69 1zgg s ILE 4 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1zgg s ILE 4 Cb -0.10 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1zgg s ILE 4 CO 0.03 0.17 0.91 -0.36 0.00 0.00 0.00 174.94 175.69 1zgg s PHE 5 N 1.50 3.76 -0.08 3.97 0.08 -0.56 -0.54 117.98 126.11 1zgg s PHE 5 Ca -0.00 1.69 -0.04 0.00 0.12 0.00 0.00 56.93 58.69 1zgg s PHE 5 Cb -0.16 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1zgg s PHE 5 CO -0.08 0.17 0.18 0.54 -0.10 0.00 0.00 175.22 175.94 1zgg s VAL 6 N 0.22 -0.03 -0.04 -0.44 0.11 -0.48 -1.20 120.40 118.53 1zgg s VAL 6 Ca 0.46 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.52 1zgg s VAL 6 Cb -0.22 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1zgg s VAL 6 CO 0.27 0.05 0.25 0.00 -3.33 0.00 0.00 175.10 172.35 1zgg h THR 8 N 4.25 1.01 -0.00 0.00 1.35 -1.93 -0.90 112.91 116.69 1zgg h THR 8 Ca -0.29 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1zgg h THR 8 Cb 1.19 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1zgg h THR 8 CO 0.38 0.06 -0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1zgg n GLY 9 N -1.51 -1.05 4.06 5.82 0.00 -1.26 -4.67 105.19 106.57 1zgg n GLY 9 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1zgg n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1zgg n ASN 10 N -1.05 0.00 0.07 1.61 6.94 -0.34 -1.13 115.26 121.36 1zgg n ASN 10 Ca 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.83 1zgg n ASN 10 Cb 0.14 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 37.83 1zgg n ASN 10 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1zgg n THR 11 N 0.00 1.53 -0.31 5.53 -2.24 -1.26 -1.80 114.28 115.73 1zgg n THR 11 Ca 0.00 0.58 0.10 0.00 -2.27 0.00 0.00 64.05 62.45 1zgg n THR 11 Cb 0.00 -1.56 0.26 0.00 -2.10 0.00 0.00 70.33 66.93 1zgg n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zgg n ARG 13 N -4.89 0.00 -0.23 0.00 0.63 -1.07 -4.41 116.66 106.69 1zgg n ARG 13 Ca 0.19 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.16 1zgg n ARG 13 Cb 0.51 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.58 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 0.07 1.27 6.15 0.02 -1.62 -0.18 113.55 119.25 1zgg h SER 14 Ca 0.00 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1zgg h SER 14 Cb 0.00 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1zgg h SER 14 CO 0.00 0.01 -0.22 1.55 -1.14 0.00 0.00 176.83 177.04 1zgg h PRO 15 N 0.31 0.00 -0.35 3.45 0.13 -1.87 -1.04 132.00 132.62 1zgg h PRO 15 Ca 0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.48 1zgg h PRO 15 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1zgg h PRO 15 CO -0.45 0.22 0.11 0.52 -0.23 0.00 0.00 178.00 178.17 1zgg h MET 16 N 0.00 0.53 -0.70 0.86 2.86 -1.43 -1.14 114.93 115.92 1zgg h MET 16 Ca -0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1zgg h MET 16 Cb 0.91 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1zgg h MET 16 CO 0.03 0.55 0.18 0.00 1.06 0.00 0.00 176.91 178.73 1zgg h ALA 17 N 0.96 0.99 -0.04 6.32 0.00 -0.88 -0.06 119.26 126.54 1zgg h ALA 17 Ca 0.11 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1zgg h ALA 17 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zgg h ALA 17 CO -0.00 0.66 -0.00 1.49 0.00 0.00 0.00 179.25 181.39 1zgg h GLU 18 N 1.06 0.01 -0.43 0.00 4.81 -1.08 0.26 114.58 119.20 1zgg h GLU 18 Ca 0.22 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1zgg h GLU 18 Cb 0.36 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1zgg h GLU 18 CO 0.00 0.01 -0.30 0.00 -0.73 0.00 0.00 179.01 177.99 1zgg h ALA 19 N 1.04 0.64 -0.34 2.92 0.00 -0.87 0.11 119.26 122.75 1zgg h ALA 19 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1zgg h ALA 19 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1zgg h ALA 19 CO -0.04 0.68 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 1zgg h LEU 20 N 0.81 0.51 -0.66 0.00 3.38 -0.95 -1.66 115.31 116.74 1zgg h LEU 20 Ca 0.09 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1zgg h LEU 20 Cb 0.89 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1zgg h LEU 20 CO 0.08 0.59 -0.58 0.15 0.09 0.00 0.00 178.44 178.77 1zgg h PHE 21 N 0.40 0.36 -0.35 1.13 3.57 -0.65 0.28 116.94 121.68 1zgg h PHE 21 Ca 0.11 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1zgg h PHE 21 Cb 0.27 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1zgg h PHE 21 CO 0.01 0.80 0.17 0.87 -2.23 0.00 0.00 178.31 177.93 1zgg h LYS 22 N 0.22 0.34 -0.69 1.11 1.57 -0.90 0.23 116.57 118.45 1zgg h LYS 22 Ca -0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1zgg h LYS 22 Cb 1.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1zgg h LYS 22 CO 0.09 0.23 0.16 0.77 -0.57 0.00 0.00 179.45 180.13 1zgg h SER 23 N 0.35 1.07 -0.40 0.86 0.02 -0.76 -1.15 113.55 113.54 1zgg h SER 23 Ca 0.15 -0.24 -0.15 0.00 -0.84 0.00 0.00 61.79 60.71 1zgg h SER 23 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1zgg h SER 23 CO -0.11 1.03 -0.33 0.40 -1.14 0.00 0.00 176.83 176.69 1zgg h ILE 24 N 1.05 1.27 -0.74 3.27 2.04 -0.70 -1.19 117.51 122.51 1zgg h ILE 24 Ca 0.22 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 1zgg h ILE 24 Cb 0.39 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1zgg h ILE 24 CO 0.00 0.50 0.33 0.00 0.00 0.00 0.00 178.15 178.99 1zgg h ALA 25 N 0.79 1.19 -0.52 1.87 0.00 -0.28 0.51 119.26 122.82 1zgg h ALA 25 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 25 Cb 0.92 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1zgg h ALA 25 CO 0.09 0.60 0.04 1.49 0.00 0.00 0.00 179.25 181.47 1zgg h GLU 26 N 1.05 0.89 -0.54 0.00 4.81 -0.99 0.16 114.58 119.95 1zgg h GLU 26 Ca 0.25 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1zgg h GLU 26 Cb 0.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1zgg h GLU 26 CO -0.03 0.89 -0.05 0.07 -0.73 0.00 0.00 179.01 179.16 1zgg h ARG 27 N 0.76 0.97 0.00 1.92 0.11 -0.45 -3.08 114.38 114.61 1zgg h ARG 27 Ca 0.15 -0.32 -0.03 0.00 0.10 0.00 0.00 59.98 59.88 1zgg h ARG 27 Cb 0.47 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 1zgg h ARG 27 CO 0.02 0.99 -0.41 0.93 0.10 0.00 0.00 179.97 181.59 1zgg h GLU 28 N 0.88 0.00 -1.53 0.08 4.39 -0.83 -3.48 114.58 114.09 1zgg h GLU 28 Ca 0.15 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1zgg h GLU 28 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1zgg h GLU 28 CO 0.04 0.11 -0.23 0.41 -1.16 0.00 0.00 179.01 178.17 1zgg n GLY 29 N 1.16 0.07 3.65 -3.84 0.00 0.37 -5.01 105.19 101.58 1zgg n GLY 29 Ca 0.02 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.68 4.10 -0.41 0.99 0.20 -0.12 -5.01 118.68 115.76 1zgg s LEU 30 Ca 0.04 1.06 -0.28 0.00 0.69 0.00 0.00 54.13 55.64 1zgg s LEU 30 Cb -0.02 -3.19 -0.00 0.00 -0.43 0.00 0.00 46.19 42.55 1zgg s LEU 30 CO 0.05 -0.48 1.56 0.21 -0.29 0.00 0.00 176.35 177.40 1zgg s ASN 31 N 1.29 6.12 0.26 3.68 3.84 -1.26 -4.73 114.94 124.14 1zgg s ASN 31 Ca 0.35 0.92 -0.06 0.00 0.21 0.00 0.00 52.86 54.29 1zgg s ASN 31 Cb -0.16 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.99 1zgg s ASN 31 CO 0.09 -1.59 0.36 0.68 -2.79 0.00 0.00 177.10 173.84 1zgg s VAL 32 N 6.15 0.00 0.10 -5.21 -7.23 -1.26 -4.43 120.40 108.52 1zgg s VAL 32 Ca 0.67 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1zgg s VAL 32 Cb -0.16 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1zgg s VAL 32 CO 0.32 0.00 -0.18 0.21 -0.31 0.00 0.00 175.10 175.14 1zgg s ASN 33 N -3.14 2.23 0.01 4.85 2.47 -0.03 -4.95 114.94 116.38 1zgg s ASN 33 Ca 0.31 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1zgg s ASN 33 Cb 0.02 -0.11 -0.01 0.00 -1.45 0.00 0.00 41.25 39.70 1zgg s ASN 33 CO 0.14 -0.02 -0.02 0.68 -3.72 0.00 0.00 177.10 174.16 1zgg s VAL 34 N -1.41 0.12 0.40 -5.21 -7.23 -1.26 -1.29 120.40 104.52 1zgg s VAL 34 Ca 0.05 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1zgg s VAL 34 Cb -0.09 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1zgg s VAL 34 CO 0.04 -0.24 0.07 -0.13 -0.31 0.00 0.00 175.10 174.53 1zgg s ARG 35 N -0.76 1.88 0.02 4.82 3.00 0.12 -4.94 118.95 123.10 1zgg s ARG 35 Ca -0.08 -2.12 0.01 0.00 0.00 0.00 0.00 55.73 53.55 1zgg s ARG 35 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 34.95 33.93 1zgg s ARG 35 CO -0.00 -0.32 -0.05 -1.54 0.00 0.00 0.00 175.30 173.38 1zgg s SER 36 N -3.62 0.59 0.17 0.23 1.04 -1.26 -1.49 113.70 109.36 1zgg s SER 36 Ca 0.26 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1zgg s SER 36 Cb 0.05 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1zgg s SER 36 CO 0.13 -0.14 0.32 0.00 0.98 0.00 0.00 173.24 174.52 1zgg n ALA 37 N 1.99 -0.59 -2.97 5.32 0.00 -0.34 -4.73 120.51 119.19 1zgg n ALA 37 Ca -0.20 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.50 1zgg n ALA 37 Cb 0.56 0.51 -0.08 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.96 -0.05 0.56 0.00 0.00 -1.24 -2.45 107.32 102.19 1zgg s GLY 38 Ca 0.09 -0.09 0.31 0.00 0.00 0.00 0.00 44.72 45.03 1zgg s GLY 38 CO 0.07 -0.29 2.15 -0.39 0.00 0.00 0.00 173.10 174.64 1zgg h VAL 39 N 3.44 0.42 -0.10 1.40 -1.51 -1.88 -0.04 116.25 117.98 1zgg h VAL 39 Ca -0.32 -0.34 -0.19 0.00 -1.23 0.00 0.00 66.70 64.63 1zgg h VAL 39 Cb 1.19 1.23 -0.37 0.00 -2.13 0.00 0.00 31.29 31.22 1zgg h VAL 39 CO 0.46 0.06 -0.99 2.22 -1.23 0.00 0.00 177.57 178.09 1zgg n PHE 40 N -3.54 0.24 -1.96 5.19 1.16 -1.26 -4.53 117.46 112.75 1zgg n PHE 40 Ca -0.02 -0.89 -0.39 0.00 -1.87 0.00 0.00 57.45 54.28 1zgg n PHE 40 Cb 0.18 -0.09 0.01 0.00 -1.61 0.00 0.00 39.48 37.98 1zgg n PHE 40 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1zgg s ALA 41 N -0.84 3.09 0.08 1.98 0.00 -1.15 -4.96 121.76 119.96 1zgg s ALA 41 Ca 0.30 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 1zgg s ALA 41 Cb 0.35 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1zgg s ALA 41 CO -0.13 -1.03 0.88 -1.12 0.00 0.00 0.00 175.76 174.36 1zgg s SER 42 N -0.85 7.38 0.00 0.00 0.01 -1.26 -2.92 113.70 116.06 1zgg s SER 42 Ca 0.63 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1zgg s SER 42 Cb -0.38 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1zgg s SER 42 CO 0.48 -0.04 0.38 -2.65 0.41 0.00 0.00 173.24 171.83 1zgg n PRO 43 N 2.82 0.00 -0.08 12.44 -0.02 -1.25 -1.75 135.00 147.16 1zgg n PRO 43 Ca 0.00 0.01 0.01 0.00 -2.02 0.00 0.00 63.50 61.50 1zgg n PRO 43 Cb 0.50 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.88 0.51 -4.80 2.55 6.94 -1.26 -4.71 115.26 113.61 1zgg n ASN 44 Ca 0.00 -1.46 -0.33 0.00 -0.02 0.00 0.00 54.58 52.78 1zgg n ASN 44 Cb 0.00 -0.05 0.02 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.50 2.07 0.14 4.83 0.00 -0.71 -4.90 107.32 108.24 1zgg s GLY 45 Ca 0.02 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.95 1zgg s GLY 45 CO 0.00 0.71 0.44 -1.59 0.00 0.00 0.00 173.10 172.66 1zgg s LYS 46 N -4.21 1.12 0.17 2.90 -2.85 -1.26 -0.35 119.74 115.26 1zgg s LYS 46 Ca 0.64 -0.68 -0.32 0.00 -1.00 0.00 0.00 55.97 54.60 1zgg s LYS 46 Cb -0.17 0.49 -0.16 0.00 -2.06 0.00 0.00 37.83 35.93 1zgg s LYS 46 CO 0.40 -0.45 1.03 0.00 0.10 0.00 0.00 175.35 176.44 1zgg n ALA 47 N -0.26 -1.38 -1.44 0.59 0.00 -0.90 -4.92 120.51 112.21 1zgg n ALA 47 Ca -0.16 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1zgg n ALA 47 Cb 0.64 -1.93 0.06 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.40 3.66 0.02 0.00 -4.23 -1.26 -4.79 115.64 108.64 1zgg s THR 48 Ca 0.72 0.57 0.14 0.00 -1.18 0.00 0.00 61.69 61.95 1zgg s THR 48 Cb -0.89 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 69.92 1zgg s THR 48 CO 0.54 -0.67 1.35 -0.65 -0.54 0.00 0.00 174.62 174.65 1zgg h PRO 49 N -0.74 0.00 0.00 3.99 0.11 -2.00 -2.10 132.00 131.26 1zgg h PRO 49 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 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 -1.25 0.72 -0.21 0.00 0.00 178.00 177.80 1zgg n HIS 50 N -2.10 0.00 0.01 0.65 8.25 -1.26 -3.90 115.22 116.88 1zgg n HIS 50 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1zgg n HIS 50 Cb 0.30 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 0.14 0.05 -0.76 -1.41 0.00 -1.89 0.37 119.26 115.75 1zgg h ALA 51 Ca -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1zgg h ALA 51 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1zgg h ALA 51 CO 0.00 -0.40 0.35 -0.24 0.00 0.00 0.00 179.25 178.97 1zgg h VAL 52 N -0.06 1.24 -0.29 0.00 3.04 -1.63 -1.52 116.25 117.02 1zgg h VAL 52 Ca 0.01 -0.70 -0.14 0.00 -1.01 0.00 0.00 66.70 64.86 1zgg h VAL 52 Cb 0.12 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1zgg h VAL 52 CO -0.00 0.29 -0.40 -0.08 -1.01 0.00 0.00 177.57 176.37 1zgg h GLU 53 N 1.07 0.70 -0.58 4.17 4.81 -1.65 0.86 114.58 123.96 1zgg h GLU 53 Ca 0.26 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1zgg h GLU 53 Cb 0.13 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1zgg h GLU 53 CO -0.03 0.98 0.27 0.00 -0.73 0.00 0.00 179.01 179.50 1zgg h ALA 54 N 0.98 0.75 0.00 2.92 0.00 -0.46 0.57 119.26 124.02 1zgg h ALA 54 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1zgg h ALA 54 Cb 0.94 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1zgg h ALA 54 CO 0.09 0.32 -0.29 -0.07 0.00 0.00 0.00 179.25 179.29 1zgg h LEU 55 N 0.79 0.00 -0.63 0.00 -0.00 -1.10 -1.51 115.31 112.86 1zgg h LEU 55 Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.93 1zgg h LEU 55 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1zgg h LEU 55 CO -0.02 0.29 -0.56 -0.26 -0.00 0.00 0.00 178.44 177.89 1zgg h PHE 56 N 0.00 0.47 -0.53 1.13 0.04 -0.46 0.10 116.94 117.70 1zgg h PHE 56 Ca -0.00 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.48 1zgg h PHE 56 Cb 1.22 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 1zgg h PHE 56 CO 0.00 0.85 -0.12 1.49 -0.60 0.00 0.00 178.31 179.93 1zgg h GLU 57 N 0.29 1.00 0.00 1.51 4.81 -0.77 -0.86 114.58 120.57 1zgg h GLU 57 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1zgg h GLU 57 Cb 1.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1zgg h GLU 57 CO 0.09 1.05 0.00 1.17 -0.73 0.00 0.00 179.01 180.60 1zgg n LYS 58 N -4.14 0.47 -3.98 1.92 4.81 -0.58 -4.88 118.16 111.77 1zgg n LYS 58 Ca 0.01 0.02 -0.31 0.00 -0.87 0.00 0.00 58.31 57.17 1zgg n LYS 58 Cb 0.40 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.96 1zgg n LYS 58 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1zgg n HIS 59 N -1.05 -2.09 0.03 5.64 1.44 -0.23 -4.88 115.22 114.08 1zgg n HIS 59 Ca 0.12 0.86 0.10 0.00 -2.01 0.00 0.00 57.72 56.80 1zgg n HIS 59 Cb 0.07 -3.73 -0.11 0.00 0.12 0.00 0.00 29.99 26.35 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1zgg n ILE 60 N -4.56 0.29 -3.32 0.61 5.41 0.18 -5.00 119.36 112.96 1zgg n ILE 60 Ca 0.00 -0.53 -0.14 0.00 1.00 0.00 0.00 62.75 63.08 1zgg n ILE 60 Cb 0.54 -0.15 0.03 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 -2.25 -2.54 -1.72 -1.39 0.00 -1.20 -4.93 120.51 106.48 1zgg n ALA 61 Ca -0.04 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1zgg n ALA 61 Cb 0.59 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 16.49 1zgg n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1zgg n LEU 62 N -2.88 4.00 -3.66 0.00 0.00 -1.26 -5.01 117.00 108.19 1zgg n LEU 62 Ca -0.07 1.15 -0.08 0.00 0.00 0.00 0.00 56.01 57.01 1zgg n LEU 62 Cb 0.58 -1.54 -0.09 0.00 0.00 0.00 0.00 43.42 42.37 1zgg n LEU 62 CO 0.59 -0.05 0.09 0.21 0.00 0.00 0.00 177.39 178.23 1zgg s ASN 63 N 0.37 -0.51 -0.17 1.96 3.84 -1.26 -4.91 114.94 114.26 1zgg s ASN 63 Ca 0.64 1.10 -0.19 0.00 0.21 0.00 0.00 52.86 54.63 1zgg s ASN 63 Cb -0.54 1.35 0.05 0.00 -0.55 0.00 0.00 41.25 41.56 1zgg s ASN 63 CO 0.50 -0.22 0.51 -2.28 -2.79 0.00 0.00 177.10 172.82 1zgg s HIS 64 N 2.27 -0.54 -0.12 0.43 5.65 -1.26 -5.05 115.29 116.67 1zgg s HIS 64 Ca -0.05 1.28 -0.00 0.00 0.25 0.00 0.00 55.06 56.54 1zgg s HIS 64 Cb -0.10 0.20 0.03 0.00 -1.18 0.00 0.00 32.58 31.52 1zgg s HIS 64 CO -0.14 -0.30 -0.08 0.08 -0.65 0.00 0.00 174.74 173.64 1zgg s VAL 65 N 0.05 1.11 1.09 0.89 1.01 -1.26 -2.12 120.40 121.16 1zgg s VAL 65 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1zgg s VAL 65 Cb -0.03 -1.12 0.24 0.00 0.00 0.00 0.00 36.38 35.47 1zgg s VAL 65 CO 0.02 0.36 1.06 -0.44 0.00 0.00 0.00 175.10 176.10 1zgg s SER 66 N 1.67 1.72 -0.03 3.32 0.01 0.53 -4.97 113.70 115.94 1zgg s SER 66 Ca 0.05 1.30 -0.29 0.00 1.31 0.00 0.00 55.95 58.32 1zgg s SER 66 Cb -0.13 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.17 1zgg s SER 66 CO -0.09 -3.71 0.88 -0.44 0.41 0.00 0.00 173.24 170.29 1zgg s SER 67 N -3.02 -0.40 0.55 2.44 0.01 -1.24 -3.95 113.70 108.09 1zgg s SER 67 Ca 0.67 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.90 1zgg s SER 67 Cb -0.22 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 1zgg s SER 67 CO 0.61 -0.58 1.08 -2.16 0.41 0.00 0.00 173.24 172.60 1zgg s PRO 68 N -2.54 3.42 -0.25 12.44 0.04 -1.15 -3.67 135.00 143.29 1zgg s PRO 68 Ca 0.02 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 1zgg s PRO 68 Cb -0.01 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1zgg s PRO 68 CO -0.05 -0.76 1.23 -1.17 0.04 0.00 0.00 177.00 176.29 1zgg s LEU 69 N -4.00 4.01 0.25 -3.56 2.96 -0.04 -4.84 118.68 113.45 1zgg s LEU 69 Ca 0.68 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 1zgg s LEU 69 Cb -0.19 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1zgg s LEU 69 CO 0.29 -0.91 0.00 0.42 -1.32 0.00 0.00 176.35 174.84 1zgg s THR 70 N 3.87 1.11 0.28 3.68 -4.23 -1.26 -4.82 115.64 114.28 1zgg s THR 70 Ca 0.53 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1zgg s THR 70 Cb -0.18 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1zgg s THR 70 CO 0.17 -0.26 1.70 -0.08 -0.54 0.00 0.00 174.62 175.61 1zgg h GLU 71 N 2.39 0.36 -0.42 3.99 4.81 -1.97 -0.74 114.58 122.99 1zgg h GLU 71 Ca -0.39 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 1zgg h GLU 71 Cb 1.23 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1zgg h GLU 71 CO 0.65 0.67 -0.13 1.05 -0.73 0.00 0.00 179.01 180.52 1zgg h GLU 72 N 0.30 0.78 -0.29 1.92 4.11 -1.98 0.10 114.58 119.53 1zgg h GLU 72 Ca 0.03 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.11 1zgg h GLU 72 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1zgg h GLU 72 CO 0.06 0.88 -0.16 1.25 0.07 0.00 0.00 179.01 181.11 1zgg h LEU 73 N 0.70 0.64 -0.61 3.06 5.85 -1.73 0.43 115.31 123.64 1zgg h LEU 73 Ca 0.11 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.51 1zgg h LEU 73 Cb 0.62 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1zgg h LEU 73 CO 0.04 0.91 0.25 -0.03 -0.34 0.00 0.00 178.44 179.28 1zgg h MET 74 N 0.37 0.44 0.00 1.25 4.05 -0.88 -1.08 114.93 119.07 1zgg h MET 74 Ca 0.06 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1zgg h MET 74 Cb 0.68 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1zgg h MET 74 CO 0.05 0.29 -0.28 0.93 0.23 0.00 0.00 176.91 178.13 1zgg h GLU 75 N 0.45 0.00 -0.65 0.39 4.39 -0.86 -2.95 114.58 115.35 1zgg h GLU 75 Ca 0.30 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.91 1zgg h GLU 75 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1zgg h GLU 75 CO -0.28 0.02 0.06 0.77 -1.16 0.00 0.00 179.01 178.42 1zgg h SER 76 N 0.00 1.07 -4.41 1.42 0.02 -0.31 -3.45 113.55 107.89 1zgg h SER 76 Ca -0.00 -0.28 -0.48 0.00 -0.84 0.00 0.00 61.79 60.19 1zgg h SER 76 Cb 1.02 -0.29 0.09 0.00 0.14 0.00 0.00 62.40 63.36 1zgg h SER 76 CO 0.00 1.09 0.38 0.00 -1.14 0.00 0.00 176.83 177.16 1zgg s ALA 77 N -5.12 2.85 0.00 3.77 0.00 -0.46 -4.90 121.76 117.89 1zgg s ALA 77 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1zgg s ALA 77 Cb 0.14 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1zgg s ALA 77 CO 0.86 -1.36 0.00 -3.47 0.00 0.00 0.00 175.76 171.79 1zgg n ASP 78 N -3.10 1.45 -3.85 0.00 2.03 0.29 -4.94 116.55 108.43 1zgg n ASP 78 Ca 0.07 -0.28 -0.12 0.00 0.52 0.00 0.00 54.79 54.98 1zgg n ASP 78 Cb 0.59 0.86 -0.12 0.00 -0.72 0.00 0.00 41.12 41.73 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1zgg s LEU 79 N -2.01 1.59 -0.02 -2.67 2.96 -0.21 -4.94 118.68 113.38 1zgg s LEU 79 Ca 0.00 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1zgg s LEU 79 Cb 0.00 0.47 -0.01 0.00 0.50 0.00 0.00 46.19 47.15 1zgg s LEU 79 CO 0.00 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.07 1zgg s VAL 80 N -0.42 1.00 -0.35 1.68 1.01 -0.23 -1.12 120.40 121.98 1zgg s VAL 80 Ca -0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1zgg s VAL 80 Cb -0.03 -0.85 0.12 0.00 0.00 0.00 0.00 36.38 35.61 1zgg s VAL 80 CO 0.00 0.29 0.16 -0.22 0.00 0.00 0.00 175.10 175.33 1zgg s LEU 81 N -0.15 1.82 -0.07 3.92 0.20 0.29 -1.18 118.68 123.51 1zgg s LEU 81 Ca 0.02 -1.93 -0.16 0.00 0.69 0.00 0.00 54.13 52.76 1zgg s LEU 81 Cb -0.06 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.92 1zgg s LEU 81 CO 0.00 -0.36 0.41 0.00 -0.29 0.00 0.00 176.35 176.11 1zgg s ALA 82 N 1.28 3.60 0.36 5.97 0.00 -0.04 -1.39 121.76 131.54 1zgg s ALA 82 Ca 0.13 -0.25 0.30 0.00 0.00 0.00 0.00 51.96 52.14 1zgg s ALA 82 Cb -0.20 -2.48 1.47 0.00 0.00 0.00 0.00 23.12 21.92 1zgg s ALA 82 CO -0.16 0.24 2.06 0.52 0.00 0.00 0.00 175.76 178.42 1zgg h MET 83 N 5.77 0.00 -3.92 0.00 0.00 -1.48 0.59 114.93 115.90 1zgg h MET 83 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 59.70 59.14 1zgg h MET 83 Cb 1.20 0.00 -0.14 0.00 0.00 0.00 0.00 31.60 32.66 1zgg h MET 83 CO 0.69 0.10 -0.42 0.95 0.00 0.00 0.00 176.91 178.24 1zgg s THR 84 N -4.03 0.13 0.42 2.22 -4.23 -1.26 -4.35 115.64 104.54 1zgg s THR 84 Ca -0.02 -1.35 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1zgg s THR 84 Cb 0.12 -1.51 0.27 0.00 1.34 0.00 0.00 72.50 72.72 1zgg s THR 84 CO 0.57 -0.61 2.06 1.12 -0.54 0.00 0.00 174.62 177.22 1zgg h HIS 85 N 2.76 0.48 -0.35 3.99 2.07 -1.91 -1.55 115.15 120.64 1zgg h HIS 85 Ca -0.34 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 1zgg h HIS 85 Cb 1.20 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 31.00 1zgg h HIS 85 CO 0.43 0.30 0.23 0.37 -3.07 0.00 0.00 177.93 176.19 1zgg h GLN 86 N 0.52 0.47 -0.59 5.12 4.15 -1.99 0.86 115.11 123.65 1zgg h GLN 86 Ca 0.15 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.43 1zgg h GLN 86 Cb -0.04 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1zgg h GLN 86 CO -0.03 0.32 -0.04 0.45 -1.93 0.00 0.00 178.83 177.60 1zgg h HIS 87 N 0.47 1.17 -0.55 3.99 3.86 -1.85 -1.29 115.15 120.94 1zgg h HIS 87 Ca 0.13 -0.22 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1zgg h HIS 87 Cb -0.04 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.09 1zgg h HIS 87 CO -0.05 1.05 0.33 -0.22 0.86 0.00 0.00 177.93 179.89 1zgg h LYS 88 N 0.96 0.62 0.00 2.45 3.64 -0.65 0.39 116.57 123.98 1zgg h LYS 88 Ca 0.16 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1zgg h LYS 88 Cb 0.61 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1zgg h LYS 88 CO 0.04 0.41 -0.63 -0.56 -2.27 0.00 0.00 179.45 176.44 1zgg h GLN 89 N 0.64 0.00 -0.02 1.90 3.07 -0.64 0.09 115.11 120.15 1zgg h GLN 89 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.97 1zgg h GLN 89 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.61 1zgg h GLN 89 CO -0.11 0.63 0.01 0.82 0.09 0.00 0.00 178.83 180.27 1zgg h ILE 90 N 0.00 1.16 -0.41 1.86 2.04 -0.73 -2.19 117.51 119.23 1zgg h ILE 90 Ca -0.01 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.47 1zgg h ILE 90 Cb 1.17 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 1zgg h ILE 90 CO 0.08 0.12 -0.09 0.40 0.00 0.00 0.00 178.15 178.66 1zgg h ILE 91 N -0.16 0.60 0.00 -0.67 2.04 -0.67 0.11 117.51 118.76 1zgg h ILE 91 Ca 0.01 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1zgg h ILE 91 Cb 0.20 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zgg h ILE 91 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1zgg n ALA 92 N -2.71 1.99 0.00 1.87 0.00 -0.00 -1.66 120.51 120.00 1zgg n ALA 92 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1zgg n ALA 92 Cb 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1zgg n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zgg n SER 93 N -1.08 4.89 0.09 0.00 7.64 -0.36 -2.64 113.62 122.16 1zgg n SER 93 Ca 0.10 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 1zgg n SER 93 Cb 0.07 0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.18 -0.01 1.43 3.07 -0.52 -3.29 115.11 115.97 1zgg h GLN 94 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1zgg h GLN 94 Cb 0.58 0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.24 1zgg h GLN 94 CO 0.00 1.13 -0.74 1.19 0.09 0.00 0.00 178.83 180.50 1zgg n PHE 95 N -3.48 0.00 -1.30 0.06 3.72 -0.66 -5.06 117.46 110.73 1zgg n PHE 95 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1zgg n PHE 95 Cb 0.98 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.51 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 -2.16 2.05 1.37 0.00 -1.24 -4.68 105.19 101.99 1zgg n GLY 96 Ca 0.07 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.04 0.47 0.00 1.61 0.63 -1.08 -3.95 116.66 113.30 1zgg n ARG 97 Ca 0.00 -0.14 0.03 0.00 -0.92 0.00 0.00 57.85 56.82 1zgg n ARG 97 Cb 0.05 -1.48 0.20 0.00 0.45 0.00 0.00 32.46 31.69 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 2.27 0.00 0.12 -0.14 4.02 -1.26 -3.95 117.16 118.21 1zgg n TYR 98 Ca 0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.01 1zgg n TYR 98 Cb 0.22 -0.00 0.34 0.00 -0.02 0.00 0.00 39.34 39.88 1zgg n TYR 98 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1zgg n ARG 99 N -1.00 0.08 -0.21 -0.72 1.85 -1.26 -1.70 116.66 113.70 1zgg n ARG 99 Ca 0.05 0.54 0.21 0.00 -1.00 0.00 0.00 57.85 57.66 1zgg n ARG 99 Cb 0.02 -1.93 0.57 0.00 -1.05 0.00 0.00 32.46 30.07 1zgg n ARG 99 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1zgg h ASP 100 N 0.00 0.29 0.03 2.89 3.58 -1.99 -0.99 116.42 120.23 1zgg h ASP 100 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1zgg h ASP 100 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1zgg h ASP 100 CO 0.00 0.11 -0.12 0.29 -2.88 0.00 0.00 179.24 176.64 1zgg n LYS 101 N -4.45 1.60 -4.09 0.28 5.02 -0.69 -4.94 118.16 110.90 1zgg n LYS 101 Ca 0.18 -1.13 -0.34 0.00 -2.02 0.00 0.00 58.31 55.00 1zgg n LYS 101 Cb 0.75 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zgg s VAL 102 N -2.17 4.89 0.04 -0.18 1.01 -0.38 -1.07 120.40 122.54 1zgg s VAL 102 Ca 0.30 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1zgg s VAL 102 Cb 0.20 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1zgg s VAL 102 CO 0.40 0.47 -0.07 -0.36 0.00 0.00 0.00 175.10 175.53 1zgg s PHE 103 N -1.10 0.62 0.51 5.22 0.40 -0.33 -4.96 117.98 118.35 1zgg s PHE 103 Ca 0.19 -0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 1zgg s PHE 103 Cb -0.12 -0.38 -0.08 0.00 0.51 0.00 0.00 43.02 42.96 1zgg s PHE 103 CO 0.10 -0.09 1.00 0.99 0.70 0.00 0.00 175.22 177.91 1zgg s THR 104 N -1.37 4.23 0.18 0.64 2.01 -1.26 -0.86 115.64 119.21 1zgg s THR 104 Ca -0.10 1.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.94 1zgg s THR 104 Cb -0.10 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 68.90 1zgg s THR 104 CO 0.00 -0.51 1.78 0.25 -0.69 0.00 0.00 174.62 175.45 1zgg h LEU 105 N 1.08 0.34 -0.04 4.42 5.85 -1.02 0.07 115.31 126.03 1zgg h LEU 105 Ca -0.48 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1zgg h LEU 105 Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1zgg h LEU 105 CO 0.60 0.24 -0.25 0.11 -0.34 0.00 0.00 178.44 178.80 1zgg h LYS 106 N 0.48 0.23 -0.79 1.25 1.79 -1.76 -3.37 116.57 114.41 1zgg h LYS 106 Ca 0.22 -0.20 0.15 0.00 -2.18 0.00 0.00 60.65 58.64 1zgg h LYS 106 Cb 0.14 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 1zgg h LYS 106 CO -0.16 0.87 0.33 1.49 -1.08 0.00 0.00 179.45 180.90 1zgg h GLU 107 N -0.33 0.45 -0.41 3.15 4.57 -0.56 0.17 114.58 121.63 1zgg h GLU 107 Ca -0.02 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.25 1zgg h GLU 107 Cb 0.93 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1zgg h GLU 107 CO 0.05 0.30 0.31 -0.92 -1.18 0.00 0.00 179.01 177.57 1zgg h TYR 108 N 0.46 0.00 0.00 0.92 3.20 -1.17 -2.27 116.97 118.12 1zgg h TYR 108 Ca 0.44 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.18 1zgg h TYR 108 Cb 0.68 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1zgg h TYR 108 CO -0.15 0.00 -1.29 0.28 -1.64 0.00 0.00 178.16 175.36 1zgg n VAL 109 N -4.26 0.72 0.30 1.81 0.31 0.33 -4.73 118.33 112.80 1zgg n VAL 109 Ca 0.07 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1zgg n VAL 109 Cb 0.50 -1.68 0.13 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.36 0.00 -0.27 2.52 1.35 -0.90 -3.47 112.91 111.78 1zgg h THR 110 Ca -0.20 -0.83 -0.11 0.00 -0.55 0.00 0.00 66.41 64.72 1zgg h THR 110 Cb 1.03 1.55 -0.05 0.00 -1.73 0.00 0.00 68.15 68.96 1zgg h THR 110 CO -0.12 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 175.66 1zgg n GLY 111 N 1.21 0.81 2.89 5.82 0.00 -0.85 -5.02 105.19 110.04 1zgg n GLY 111 Ca 0.03 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.87 0.24 0.46 1.61 0.01 -1.26 -4.97 113.70 106.93 1zgg s SER 112 Ca 0.00 -0.03 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1zgg s SER 112 Cb 0.00 -0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 1zgg s SER 112 CO 0.00 0.00 1.35 -1.00 0.41 0.00 0.00 173.24 174.01 1zgg s HIS 113 N 0.12 2.56 -4.17 2.43 0.09 -1.26 -1.72 115.29 113.34 1zgg s HIS 113 Ca -0.01 1.35 0.00 0.00 -0.00 0.00 0.00 55.06 56.40 1zgg s HIS 113 Cb -0.03 -3.78 0.00 0.00 -0.00 0.00 0.00 32.58 28.77 1zgg s HIS 113 CO -0.00 -2.56 0.00 0.41 -0.00 0.00 0.00 174.74 172.58 1zgg n GLY 114 N 0.63 -2.46 3.20 -2.22 0.00 -1.26 -4.84 105.19 98.23 1zgg n GLY 114 Ca 0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.58 0.27 0.79 1.61 2.15 -1.26 -2.70 116.67 116.95 1zgg s ASP 115 Ca 0.00 -1.36 -0.07 0.00 0.43 0.00 0.00 52.55 51.55 1zgg s ASP 115 Cb 0.00 0.35 0.13 0.00 -0.30 0.00 0.00 42.92 43.10 1zgg s ASP 115 CO 0.00 -0.81 1.10 -0.69 -0.17 0.00 0.00 175.17 174.60 1zgg s VAL 116 N -4.11 2.14 0.05 1.11 1.01 -1.26 -4.86 120.40 114.48 1zgg s VAL 116 Ca 0.37 -0.32 -0.36 0.00 0.00 0.00 0.00 61.98 61.66 1zgg s VAL 116 Cb 0.07 -2.81 -0.16 0.00 0.00 0.00 0.00 36.38 33.48 1zgg s VAL 116 CO 0.11 0.00 1.48 -0.11 0.00 0.00 0.00 175.10 176.58 1zgg n LEU 117 N -3.15 2.20 -4.42 3.92 0.00 -1.26 -4.97 117.00 109.32 1zgg n LEU 117 Ca 0.13 1.10 -0.44 0.00 0.00 0.00 0.00 56.01 56.80 1zgg n LEU 117 Cb 0.60 -1.25 -0.06 0.00 0.00 0.00 0.00 43.42 42.71 1zgg n LEU 117 CO 0.46 -0.73 0.32 -0.62 0.00 0.00 0.00 177.39 176.82 1zgg s ASP 118 N 1.17 6.21 0.00 1.96 2.15 -1.26 -4.90 116.67 122.00 1zgg s ASP 118 Ca 0.85 -1.07 0.30 0.00 0.43 0.00 0.00 52.55 53.07 1zgg s ASP 118 Cb -0.88 -2.28 1.51 0.00 -0.30 0.00 0.00 42.92 40.96 1zgg s ASP 118 CO 0.47 -0.91 2.01 -0.81 -0.17 0.00 0.00 175.17 175.76 1zgg n PRO 119 N 6.10 1.08 -1.54 4.34 -0.04 -1.26 -4.95 135.00 138.72 1zgg n PRO 119 Ca -0.08 -0.31 -0.52 0.00 -0.04 0.00 0.00 63.50 62.55 1zgg n PRO 119 Cb 0.45 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1zgg n PRO 119 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zgg n PHE 120 N -0.69 1.82 -0.66 0.54 7.35 -1.26 -0.45 117.46 124.10 1zgg n PHE 120 Ca 0.20 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1zgg n PHE 120 Cb 0.22 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.52 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 5.66 0.79 3.78 7.13 0.00 -1.26 -5.06 105.19 116.23 1zgg n GLY 121 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.75 1.67 0.94 -0.02 0.00 0.41 -5.08 107.32 103.49 1zgg s GLY 122 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.61 1zgg s GLY 122 CO 0.00 -0.21 1.11 -1.35 0.00 0.00 0.00 173.10 172.65 1zgg s SER 123 N -4.37 3.24 0.41 1.64 1.04 -1.26 -4.90 113.70 109.50 1zgg s SER 123 Ca 0.71 1.10 0.18 0.00 0.48 0.00 0.00 55.95 58.42 1zgg s SER 123 Cb -0.08 -1.73 1.08 0.00 0.10 0.00 0.00 66.02 65.39 1zgg s SER 123 CO 0.54 -2.74 1.83 -0.29 0.98 0.00 0.00 173.24 173.56 1zgg h ILE 124 N -1.62 0.63 -0.42 -1.02 6.09 -1.96 -0.39 117.51 118.82 1zgg h ILE 124 Ca -0.52 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 62.81 1zgg h ILE 124 Cb 1.32 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.77 1zgg h ILE 124 CO 0.60 0.08 0.18 -0.78 -3.07 0.00 0.00 178.15 175.15 1zgg h ASP 125 N 0.41 0.53 -0.28 2.19 3.58 -1.97 0.12 116.42 121.00 1zgg h ASP 125 Ca 0.51 -0.05 -0.19 0.00 0.42 0.00 0.00 57.03 57.73 1zgg h ASP 125 Cb 1.28 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1zgg h ASP 125 CO -0.21 0.47 -0.55 0.40 -2.88 0.00 0.00 179.24 176.46 1zgg h ILE 126 N 0.59 1.27 -0.34 2.25 1.08 -1.41 0.99 117.51 121.93 1zgg h ILE 126 Ca 0.15 -1.73 -0.10 0.00 -0.39 0.00 0.00 64.86 62.78 1zgg h ILE 126 Cb 0.10 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1zgg h ILE 126 CO -0.02 0.57 -0.19 1.88 -0.69 0.00 0.00 178.15 179.70 1zgg h TYR 127 N 0.67 0.70 -0.64 1.37 -1.99 -1.29 -1.00 116.97 114.79 1zgg h TYR 127 Ca 0.01 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 1zgg h TYR 127 Cb 1.16 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.69 1zgg h TYR 127 CO 0.07 0.78 0.11 -0.22 -0.00 0.00 0.00 178.16 178.90 1zgg h LYS 128 N 0.57 1.06 -0.57 4.88 3.11 -0.50 0.11 116.57 125.23 1zgg h LYS 128 Ca 0.09 -0.28 -0.03 0.00 -2.81 0.00 0.00 60.65 57.62 1zgg h LYS 128 Cb 0.64 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.72 1zgg h LYS 128 CO 0.05 0.98 0.25 1.96 -2.81 0.00 0.00 179.45 179.87 1zgg h GLN 129 N 0.97 0.84 -0.20 1.90 4.20 -0.53 -2.73 115.11 119.57 1zgg h GLN 129 Ca 0.19 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1zgg h GLN 129 Cb 0.43 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1zgg h GLN 129 CO 0.01 0.71 0.08 1.15 -0.67 0.00 0.00 178.83 180.11 1zgg h THR 130 N 0.78 1.15 -0.29 -0.54 2.02 -0.85 -2.91 112.91 112.27 1zgg h THR 130 Ca 0.19 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1zgg h THR 130 Cb 0.17 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1zgg h THR 130 CO -0.02 0.15 0.01 0.08 0.37 0.00 0.00 175.52 176.10 1zgg h ARG 131 N 0.17 0.43 -0.35 6.66 0.11 -0.63 0.11 114.38 120.88 1zgg h ARG 131 Ca 0.07 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 1zgg h ARG 131 Cb 0.15 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1zgg h ARG 131 CO -0.01 0.46 -0.20 0.22 0.10 0.00 0.00 179.97 180.54 1zgg h ASP 132 N 0.42 0.78 -0.30 0.08 3.58 -1.37 0.46 116.42 120.07 1zgg h ASP 132 Ca 0.09 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 57.02 1zgg h ASP 132 Cb 0.27 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1zgg h ASP 132 CO 0.01 1.03 -0.23 -0.08 -2.88 0.00 0.00 179.24 177.09 1zgg h GLU 133 N 0.53 0.69 -0.74 0.28 4.57 -1.22 -2.89 114.58 115.79 1zgg h GLU 133 Ca 0.07 -0.33 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 1zgg h GLU 133 Cb 0.75 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1zgg h GLU 133 CO 0.06 0.94 0.29 1.25 -1.18 0.00 0.00 179.01 180.37 1zgg h LEU 134 N 0.44 1.01 -0.49 1.64 5.85 -0.72 -1.35 115.31 121.69 1zgg h LEU 134 Ca 0.06 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1zgg h LEU 134 Cb 0.78 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1zgg h LEU 134 CO 0.06 0.90 0.01 -0.08 -0.34 0.00 0.00 178.44 178.99 1zgg h GLU 135 N 1.07 0.85 -0.63 1.25 4.81 -0.87 0.21 114.58 121.28 1zgg h GLU 135 Ca 0.25 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1zgg h GLU 135 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1zgg h GLU 135 CO -0.02 0.88 0.10 1.49 -0.73 0.00 0.00 179.01 180.74 1zgg h GLU 136 N 0.71 1.04 -0.34 1.92 4.81 -1.23 0.09 114.58 121.57 1zgg h GLU 136 Ca 0.14 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1zgg h GLU 136 Cb 0.49 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1zgg h GLU 136 CO 0.02 0.97 0.18 1.25 -0.73 0.00 0.00 179.01 180.70 1zgg h LEU 137 N 0.95 0.44 -1.14 1.64 5.85 -1.12 -2.81 115.31 119.12 1zgg h LEU 137 Ca 0.19 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1zgg h LEU 137 Cb 0.43 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1zgg h LEU 137 CO 0.01 0.41 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.23 1zgg h LEU 138 N 0.43 0.00 -0.68 2.25 4.07 -0.49 -0.88 115.31 120.00 1zgg h LEU 138 Ca 0.12 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 1zgg h LEU 138 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1zgg h LEU 138 CO -0.02 0.23 0.01 0.03 -1.08 0.00 0.00 178.44 177.61 1zgg h ARG 139 N 0.00 1.03 -0.70 1.13 3.08 -0.81 -1.59 114.38 116.52 1zgg h ARG 139 Ca -0.00 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 1zgg h ARG 139 Cb 0.73 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1zgg h ARG 139 CO 0.03 1.00 0.21 1.96 -1.07 0.00 0.00 179.97 182.10 1zgg h GLN 140 N 0.95 1.08 -0.62 0.04 1.08 -0.96 -1.43 115.11 115.25 1zgg h GLN 140 Ca 0.17 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1zgg h GLN 140 Cb 0.53 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.74 1zgg h GLN 140 CO 0.03 0.93 0.28 -0.07 -0.95 0.00 0.00 178.83 179.04 1zgg h LEU 141 N 1.04 0.34 -0.84 1.46 4.07 -0.90 -1.27 115.31 119.21 1zgg h LEU 141 Ca 0.23 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 58.18 1zgg h LEU 141 Cb 0.30 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1zgg h LEU 141 CO -0.01 0.21 0.10 0.00 -1.08 0.00 0.00 178.44 177.66 1zgg h ALA 142 N 1.39 1.05 -0.15 1.53 0.00 -0.73 -0.70 119.26 121.64 1zgg h ALA 142 Ca 0.30 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1zgg h ALA 142 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1zgg h ALA 142 CO -0.26 0.61 0.00 0.87 0.00 0.00 0.00 179.25 180.48 1zgg h LYS 143 N 0.91 0.05 -0.30 0.00 1.57 -0.49 -0.77 116.57 117.54 1zgg h LYS 143 Ca 0.19 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1zgg h LYS 143 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1zgg h LYS 143 CO 0.01 0.03 0.13 1.96 -0.57 0.00 0.00 179.45 181.01 1zgg h GLN 144 N 0.05 0.44 -0.36 3.15 4.20 -0.77 -1.14 115.11 120.69 1zgg h GLN 144 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1zgg h GLN 144 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1zgg h GLN 144 CO -0.12 0.44 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.12 1zgg h LEU 145 N 0.34 0.79 -0.75 1.46 3.38 -1.04 -1.30 115.31 118.19 1zgg h LEU 145 Ca 0.10 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1zgg h LEU 145 Cb 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1zgg h LEU 145 CO -0.01 1.04 0.47 0.11 0.09 0.00 0.00 178.44 180.13 1zgg h LYS 146 N 0.65 1.01 -0.28 1.13 1.57 -0.98 -0.67 116.57 119.01 1zgg h LYS 146 Ca 0.08 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1zgg h LYS 146 Cb 0.82 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1zgg h LYS 146 CO 0.07 0.71 -0.25 0.87 -0.57 0.00 0.00 179.45 180.27 1zgg h LYS 147 N 1.03 0.66 0.00 3.15 1.57 -0.56 -3.40 116.57 119.02 1zgg h LYS 147 Ca 0.27 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1zgg h LYS 147 Cb -0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1zgg h LYS 147 CO -0.05 0.94 -0.07 -3.47 -0.57 0.00 0.00 179.45 176.23 1zgg n ASP 148 N -4.31 0.00 0.00 0.86 2.03 -0.55 -5.01 116.55 109.57 1zgg n ASP 148 Ca -0.04 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1zgg n ASP 148 Cb 0.45 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1zgg n ASP 148 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1zgg n ARG 149 N 0.00 -0.45 0.00 -0.67 0.00 -0.26 -5.01 116.66 110.27 1zgg n ARG 149 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1zgg n ARG 149 Cb 0.53 -4.35 0.00 0.00 0.00 0.00 0.00 32.46 28.64 1zgg n ARG 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50