#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 0.68 -0.06 6.12 2.15 -1.26 -1.17 116.67 123.14 1zgg s ASP 2 Ca 0.00 -0.09 0.06 0.00 0.43 0.00 0.00 52.55 52.95 1zgg s ASP 2 Cb 0.00 -0.27 -0.01 0.00 -0.30 0.00 0.00 42.92 42.34 1zgg s ASP 2 CO 0.00 -0.03 -0.24 -0.63 -0.17 0.00 0.00 175.17 174.10 1zgg s ILE 3 N 0.64 2.17 -0.31 4.11 1.01 -0.53 -0.76 121.20 127.53 1zgg s ILE 3 Ca -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1zgg s ILE 3 Cb -0.11 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1zgg s ILE 3 CO -0.00 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 174.92 1zgg s ILE 4 N -0.22 3.40 0.13 2.92 1.01 -0.32 -0.36 121.20 127.76 1zgg s ILE 4 Ca -0.02 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.19 1zgg s ILE 4 Cb -0.13 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1zgg s ILE 4 CO 0.03 -0.06 1.06 -0.36 0.00 0.00 0.00 174.94 175.62 1zgg s PHE 5 N 1.35 3.65 -0.08 3.97 0.08 -0.40 -0.57 117.98 125.98 1zgg s PHE 5 Ca -0.02 1.63 -0.04 0.00 0.12 0.00 0.00 56.93 58.62 1zgg s PHE 5 Cb -0.19 -3.22 0.04 0.00 -0.57 0.00 0.00 43.02 39.08 1zgg s PHE 5 CO 0.00 -0.41 0.17 0.54 -0.10 0.00 0.00 175.22 175.43 1zgg s VAL 6 N 0.05 -0.05 -0.01 -0.44 0.11 -0.39 -1.25 120.40 118.42 1zgg s VAL 6 Ca 0.50 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 1zgg s VAL 6 Cb -0.27 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1zgg s VAL 6 CO 0.32 0.07 0.29 0.00 -3.33 0.00 0.00 175.10 172.45 1zgg n THR 8 N 1.28 2.02 0.00 0.00 -2.24 -1.26 -1.23 114.28 112.85 1zgg n THR 8 Ca -0.22 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1zgg n THR 8 Cb 0.56 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1zgg n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zgg n GLY 9 N 0.85 1.95 5.00 3.38 0.00 -0.16 -4.42 105.19 111.79 1zgg n GLY 9 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.31 1.61 5.15 -0.37 -4.58 115.26 117.39 1zgg n ASN 10 Ca 0.00 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.16 1zgg n ASN 10 Cb 0.00 0.00 1.02 0.00 -0.53 0.00 0.00 39.78 40.27 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 0.27 -0.69 -0.44 1.35 -1.86 -2.72 112.91 108.82 1zgg h THR 11 Ca 0.00 -0.10 0.09 0.00 -0.55 0.00 0.00 66.41 65.86 1zgg h THR 11 Cb 0.00 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 1zgg h THR 11 CO 0.00 0.02 0.46 0.00 -0.25 0.00 0.00 175.52 175.74 1zgg n ARG 13 N -4.48 0.00 -0.21 0.00 0.63 -1.20 -4.36 116.66 107.03 1zgg n ARG 13 Ca 0.11 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.06 1zgg n ARG 13 Cb 0.34 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.36 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 -0.28 0.61 6.15 0.02 -1.72 -0.28 113.55 118.04 1zgg h SER 14 Ca 0.00 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1zgg h SER 14 Cb 0.00 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1zgg h SER 14 CO 0.00 -0.12 -0.28 1.55 -1.14 0.00 0.00 176.83 176.84 1zgg h PRO 15 N 0.12 0.00 -0.12 3.45 0.13 -1.85 -0.61 132.00 133.11 1zgg h PRO 15 Ca 0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1zgg h PRO 15 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1zgg h PRO 15 CO -0.55 0.28 0.06 0.52 -0.23 0.00 0.00 178.00 178.09 1zgg h MET 16 N 0.00 0.17 -0.62 0.86 2.86 -1.40 -1.27 114.93 115.53 1zgg h MET 16 Ca -0.00 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1zgg h MET 16 Cb 0.66 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1zgg h MET 16 CO 0.04 0.21 0.11 0.00 1.06 0.00 0.00 176.91 178.33 1zgg h ALA 17 N 0.95 1.02 0.04 6.32 0.00 -0.60 -0.27 119.26 126.72 1zgg h ALA 17 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1zgg h ALA 17 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1zgg h ALA 17 CO -0.01 0.63 -0.07 1.49 0.00 0.00 0.00 179.25 181.29 1zgg h GLU 18 N 0.95 -0.13 -0.50 0.00 4.81 -1.08 0.77 114.58 119.39 1zgg h GLU 18 Ca 0.19 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1zgg h GLU 18 Cb 0.39 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1zgg h GLU 18 CO 0.01 -0.09 -0.18 0.00 -0.73 0.00 0.00 179.01 178.02 1zgg h ALA 19 N 0.82 0.70 -0.31 2.92 0.00 -0.72 0.12 119.26 122.79 1zgg h ALA 19 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1zgg h ALA 19 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zgg h ALA 19 CO -0.04 0.67 -0.16 1.25 0.00 0.00 0.00 179.25 180.96 1zgg h LEU 20 N 0.87 0.68 -0.58 0.00 6.46 -1.02 -1.59 115.31 120.13 1zgg h LEU 20 Ca 0.12 -0.41 -0.15 0.00 -0.12 0.00 0.00 57.88 57.32 1zgg h LEU 20 Cb 0.76 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1zgg h LEU 20 CO 0.06 0.94 -0.55 0.15 -0.62 0.00 0.00 178.44 178.42 1zgg h PHE 21 N 0.42 0.57 -0.53 1.25 3.57 -0.62 -1.02 116.94 120.58 1zgg h PHE 21 Ca 0.07 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.39 1zgg h PHE 21 Cb 0.69 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1zgg h PHE 21 CO 0.06 0.90 0.31 0.87 -2.23 0.00 0.00 178.31 178.23 1zgg h LYS 22 N 0.35 0.60 -0.55 1.11 1.57 -0.69 0.24 116.57 119.20 1zgg h LYS 22 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1zgg h LYS 22 Cb 1.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1zgg h LYS 22 CO 0.10 0.40 0.22 0.77 -0.57 0.00 0.00 179.45 180.37 1zgg h SER 23 N 0.62 0.75 -0.48 0.86 0.02 -0.89 -0.13 113.55 114.30 1zgg h SER 23 Ca 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1zgg h SER 23 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1zgg h SER 23 CO -0.10 0.71 0.07 0.40 -1.14 0.00 0.00 176.83 176.77 1zgg h ILE 24 N 0.74 1.25 -0.68 3.27 2.04 -0.84 -1.47 117.51 121.82 1zgg h ILE 24 Ca 0.18 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1zgg h ILE 24 Cb 0.19 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1zgg h ILE 24 CO -0.02 0.33 0.18 0.00 0.00 0.00 0.00 178.15 178.65 1zgg h ALA 25 N 0.96 1.05 -0.43 1.87 0.00 -0.23 0.66 119.26 123.14 1zgg h ALA 25 Ca 0.14 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1zgg h ALA 25 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1zgg h ALA 25 CO 0.01 0.63 0.06 1.49 0.00 0.00 0.00 179.25 181.44 1zgg h GLU 26 N 1.01 0.71 -0.08 0.00 4.57 -0.83 0.17 114.58 120.14 1zgg h GLU 26 Ca 0.22 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 1zgg h GLU 26 Cb 0.32 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1zgg h GLU 26 CO -0.00 0.75 -0.65 0.07 -1.18 0.00 0.00 179.01 178.00 1zgg h ARG 27 N 0.57 0.31 0.00 1.92 -0.00 -0.80 -2.96 114.38 113.42 1zgg h ARG 27 Ca 0.13 -0.23 -0.08 0.00 -0.00 0.00 0.00 59.98 59.80 1zgg h ARG 27 Cb 0.39 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.39 1zgg h ARG 27 CO 0.01 0.85 -0.40 0.93 -0.00 0.00 0.00 179.97 181.36 1zgg h GLU 28 N 0.22 0.00 -2.17 0.08 4.39 -0.81 -3.48 114.58 112.82 1zgg h GLU 28 Ca -0.01 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1zgg h GLU 28 Cb 1.18 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1zgg h GLU 28 CO 0.10 0.40 -0.29 0.41 -1.16 0.00 0.00 179.01 178.48 1zgg n GLY 29 N 1.00 0.06 3.66 -3.84 0.00 0.38 -5.01 105.19 101.45 1zgg n GLY 29 Ca 0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.34 4.13 -0.52 0.99 0.20 -0.01 -5.01 118.68 115.12 1zgg s LEU 30 Ca 0.11 1.06 -0.28 0.00 0.69 0.00 0.00 54.13 55.72 1zgg s LEU 30 Cb -0.05 -3.17 -0.00 0.00 -0.43 0.00 0.00 46.19 42.55 1zgg s LEU 30 CO 0.13 -0.43 1.58 0.21 -0.29 0.00 0.00 176.35 177.55 1zgg s ASN 31 N 1.25 5.92 0.26 3.68 2.47 -1.26 -4.75 114.94 122.51 1zgg s ASN 31 Ca 0.35 0.53 -0.03 0.00 0.42 0.00 0.00 52.86 54.14 1zgg s ASN 31 Cb -0.16 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.08 1zgg s ASN 31 CO 0.10 -1.83 0.31 0.68 -3.72 0.00 0.00 177.10 172.64 1zgg s VAL 32 N 6.81 0.00 0.13 -5.21 -7.23 -1.26 -4.75 120.40 108.89 1zgg s VAL 32 Ca 0.61 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1zgg s VAL 32 Cb -0.14 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1zgg s VAL 32 CO 0.26 0.00 -0.16 0.21 -0.31 0.00 0.00 175.10 175.10 1zgg s ASN 33 N -3.18 2.22 0.05 4.85 2.47 -0.31 -5.00 114.94 116.04 1zgg s ASN 33 Ca 0.34 -0.80 0.00 0.00 0.42 0.00 0.00 52.86 52.82 1zgg s ASN 33 Cb 0.03 -0.10 -0.03 0.00 -1.45 0.00 0.00 41.25 39.70 1zgg s ASN 33 CO 0.15 -0.09 -0.04 0.68 -3.72 0.00 0.00 177.10 174.08 1zgg s VAL 34 N -1.94 0.33 0.24 -5.21 -7.23 -1.26 -1.45 120.40 103.88 1zgg s VAL 34 Ca 0.10 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1zgg s VAL 34 Cb -0.06 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1zgg s VAL 34 CO 0.04 -0.81 0.12 -0.13 -0.31 0.00 0.00 175.10 174.01 1zgg s ARG 35 N -3.19 1.34 0.04 4.82 3.00 0.51 -4.90 118.95 120.57 1zgg s ARG 35 Ca 0.02 -1.72 0.04 0.00 0.00 0.00 0.00 55.73 54.07 1zgg s ARG 35 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 34.95 34.96 1zgg s ARG 35 CO -0.06 -0.36 -0.12 -1.12 0.00 0.00 0.00 175.30 173.64 1zgg s SER 36 N -3.25 1.43 0.34 0.23 0.01 -1.26 -1.28 113.70 109.93 1zgg s SER 36 Ca 0.38 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 1zgg s SER 36 Cb 0.07 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.24 1zgg s SER 36 CO 0.14 -0.00 0.52 0.00 0.41 0.00 0.00 173.24 174.31 1zgg n ALA 37 N 1.93 -0.59 -3.02 1.44 0.00 -0.38 -4.60 120.51 115.29 1zgg n ALA 37 Ca -0.18 -1.48 -0.10 0.00 0.00 0.00 0.00 53.44 51.68 1zgg n ALA 37 Cb 0.55 1.19 -0.10 0.00 0.00 0.00 0.00 19.45 21.09 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 -3.05 0.16 0.48 0.00 0.00 -1.14 -2.79 107.32 100.99 1zgg s GLY 38 Ca 0.25 -0.41 0.26 0.00 0.00 0.00 0.00 44.72 44.82 1zgg s GLY 38 CO 0.18 -0.51 1.94 -0.39 0.00 0.00 0.00 173.10 174.32 1zgg h VAL 39 N 4.46 0.51 -2.46 1.40 -1.51 -1.89 0.63 116.25 117.39 1zgg h VAL 39 Ca -0.32 -0.84 -0.59 0.00 -1.23 0.00 0.00 66.70 63.72 1zgg h VAL 39 Cb 1.20 1.57 -0.38 0.00 -2.13 0.00 0.00 31.29 31.55 1zgg h VAL 39 CO 0.41 0.16 -0.93 -0.36 -1.23 0.00 0.00 177.57 175.63 1zgg s PHE 40 N -3.86 1.22 0.24 5.19 0.08 -1.26 -4.80 117.98 114.79 1zgg s PHE 40 Ca -0.01 -2.30 0.00 0.00 0.12 0.00 0.00 56.93 54.74 1zgg s PHE 40 Cb 0.11 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1zgg s PHE 40 CO 0.60 -0.81 0.20 0.00 -0.10 0.00 0.00 175.22 175.12 1zgg s ALA 41 N 0.10 1.24 0.05 5.36 0.00 -1.25 -0.99 121.76 126.28 1zgg s ALA 41 Ca 0.30 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1zgg s ALA 41 Cb -0.01 1.39 -0.03 0.00 0.00 0.00 0.00 23.12 24.47 1zgg s ALA 41 CO -0.16 -0.63 -0.06 -1.54 0.00 0.00 0.00 175.76 173.36 1zgg s SER 42 N -3.21 0.80 0.00 0.00 1.04 -1.26 -3.85 113.70 107.22 1zgg s SER 42 Ca 0.38 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1zgg s SER 42 Cb 0.05 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1zgg s SER 42 CO 0.16 -0.33 0.29 -2.65 0.98 0.00 0.00 173.24 171.69 1zgg n PRO 43 N 0.96 0.07 -0.61 4.02 -0.02 -1.26 -2.32 135.00 135.85 1zgg n PRO 43 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1zgg n PRO 43 Cb 0.57 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1zgg n PRO 43 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zgg n ASN 44 N -0.70 0.08 -4.80 2.55 5.15 -1.26 -4.69 115.26 111.59 1zgg n ASN 44 Ca 0.01 -1.86 -0.31 0.00 -0.60 0.00 0.00 54.58 51.82 1zgg n ASN 44 Cb 0.00 -0.17 0.06 0.00 -0.53 0.00 0.00 39.78 39.14 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 -0.95 1.67 0.17 8.20 0.00 -0.98 -4.91 107.32 110.52 1zgg s GLY 45 Ca 0.03 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.71 1zgg s GLY 45 CO -0.02 0.46 0.52 -1.59 0.00 0.00 0.00 173.10 172.47 1zgg s LYS 46 N -4.99 1.29 0.13 2.90 -2.85 -1.26 -0.37 119.74 114.59 1zgg s LYS 46 Ca 0.59 -0.74 -0.34 0.00 -1.00 0.00 0.00 55.97 54.49 1zgg s LYS 46 Cb -0.15 0.53 -0.17 0.00 -2.06 0.00 0.00 37.83 35.98 1zgg s LYS 46 CO 0.55 -0.54 0.99 0.00 0.10 0.00 0.00 175.35 176.45 1zgg n ALA 47 N -0.32 -2.04 -1.31 0.59 0.00 -0.93 -4.89 120.51 111.60 1zgg n ALA 47 Ca -0.13 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1zgg n ALA 47 Cb 0.63 -1.86 0.08 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.34 3.06 0.03 0.00 -4.23 -1.26 -4.81 115.64 108.09 1zgg s THR 48 Ca 0.76 0.42 0.15 0.00 -1.18 0.00 0.00 61.69 61.83 1zgg s THR 48 Cb -0.98 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 70.13 1zgg s THR 48 CO 0.54 -0.38 1.38 -0.65 -0.54 0.00 0.00 174.62 174.97 1zgg h PRO 49 N -0.67 0.00 0.00 3.99 0.11 -2.00 -2.57 132.00 130.86 1zgg h PRO 49 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1zgg h PRO 49 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1zgg h PRO 49 CO 0.51 0.00 -0.80 0.72 -0.21 0.00 0.00 178.00 178.23 1zgg n HIS 50 N -2.12 0.00 -0.03 0.65 8.25 -1.26 -4.09 115.22 116.62 1zgg n HIS 50 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1zgg n HIS 50 Cb 0.29 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 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 0.00 0.17 -0.76 -1.41 0.00 -1.90 -0.16 119.26 115.21 1zgg h ALA 51 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1zgg h ALA 51 Cb 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1zgg h ALA 51 CO 0.00 -0.20 0.48 -0.24 0.00 0.00 0.00 179.25 179.30 1zgg h VAL 52 N 0.02 1.12 -0.66 0.00 3.04 -1.73 -1.49 116.25 116.56 1zgg h VAL 52 Ca 0.04 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 65.34 1zgg h VAL 52 Cb 0.25 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.59 1zgg h VAL 52 CO -0.00 0.17 0.14 -0.08 -1.01 0.00 0.00 177.57 176.80 1zgg h GLU 53 N 0.95 1.07 -0.69 4.17 4.57 -1.67 0.90 114.58 123.89 1zgg h GLU 53 Ca 0.30 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1zgg h GLU 53 Cb -0.01 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1zgg h GLU 53 CO -0.10 0.97 0.14 0.00 -1.18 0.00 0.00 179.01 178.84 1zgg h ALA 54 N 1.06 0.94 0.00 2.92 0.00 -0.48 0.76 119.26 124.46 1zgg h ALA 54 Ca 0.20 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1zgg h ALA 54 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1zgg h ALA 54 CO 0.01 0.67 -0.47 -0.07 0.00 0.00 0.00 179.25 179.38 1zgg h LEU 55 N 1.06 0.00 -0.78 0.00 -0.00 -0.98 -1.18 115.31 113.43 1zgg h LEU 55 Ca 0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.99 1zgg h LEU 55 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 1zgg h LEU 55 CO 0.01 0.47 -0.23 -0.26 -0.00 0.00 0.00 178.44 178.42 1zgg h PHE 56 N 0.00 0.75 -0.61 1.13 0.04 -0.38 0.94 116.94 118.81 1zgg h PHE 56 Ca -0.00 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 1zgg h PHE 56 Cb 1.30 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1zgg h PHE 56 CO 0.00 0.84 0.02 1.49 -0.60 0.00 0.00 178.31 180.06 1zgg h GLU 57 N 0.58 1.06 0.00 1.51 4.57 -0.65 -1.01 114.58 120.65 1zgg h GLU 57 Ca 0.08 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1zgg h GLU 57 Cb 0.71 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1zgg h GLU 57 CO 0.05 1.02 0.00 1.17 -1.18 0.00 0.00 179.01 180.08 1zgg n LYS 58 N -4.18 0.00 -2.97 1.92 4.81 -0.47 -4.91 118.16 112.37 1zgg n LYS 58 Ca 0.03 0.29 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1zgg n LYS 58 Cb 0.34 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.50 -1.70 -0.00 5.64 -0.00 -0.38 -4.97 115.22 112.31 1zgg n HIS 59 Ca 0.03 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.43 1zgg n HIS 59 Cb 0.15 -4.09 -0.01 0.00 -0.00 0.00 0.00 29.99 26.04 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1zgg n ILE 60 N -3.13 0.01 -3.48 3.57 5.41 0.20 -5.01 119.36 116.92 1zgg n ILE 60 Ca -0.16 -0.03 -0.21 0.00 1.00 0.00 0.00 62.75 63.35 1zgg n ILE 60 Cb 0.61 0.35 0.04 0.00 -0.71 0.00 0.00 39.64 39.93 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 -1.58 -2.56 -1.68 -1.39 0.00 -1.21 -4.92 120.51 107.16 1zgg n ALA 61 Ca -0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 1zgg n ALA 61 Cb 0.07 -3.55 -0.02 0.00 0.00 0.00 0.00 19.45 15.96 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 -3.33 3.32 -3.64 0.00 0.00 -1.26 -5.00 117.00 107.09 1zgg n LEU 62 Ca -0.10 1.17 -0.06 0.00 0.00 0.00 0.00 56.01 57.03 1zgg n LEU 62 Cb 0.59 -1.46 -0.07 0.00 0.00 0.00 0.00 43.42 42.48 1zgg n LEU 62 CO 0.62 -0.47 0.11 0.21 0.00 0.00 0.00 177.39 177.86 1zgg s ASN 63 N 0.06 -0.59 -0.11 1.96 3.84 -1.26 -4.91 114.94 113.92 1zgg s ASN 63 Ca 0.63 1.19 -0.19 0.00 0.21 0.00 0.00 52.86 54.70 1zgg s ASN 63 Cb -0.61 1.71 0.04 0.00 -0.55 0.00 0.00 41.25 41.84 1zgg s ASN 63 CO 0.55 -0.23 0.47 -2.28 -2.79 0.00 0.00 177.10 172.82 1zgg s HIS 64 N 2.72 -0.45 -0.11 0.43 2.46 -1.26 -5.05 115.29 114.02 1zgg s HIS 64 Ca -0.02 0.97 0.01 0.00 0.47 0.00 0.00 55.06 56.49 1zgg s HIS 64 Cb -0.12 0.20 0.02 0.00 -0.13 0.00 0.00 32.58 32.54 1zgg s HIS 64 CO -0.15 -0.36 -0.15 0.08 -2.47 0.00 0.00 174.74 171.70 1zgg s VAL 65 N -0.45 1.46 1.26 0.89 1.01 -1.26 -2.20 120.40 121.11 1zgg s VAL 65 Ca -0.06 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1zgg s VAL 65 Cb -0.03 -1.35 0.32 0.00 0.00 0.00 0.00 36.38 35.32 1zgg s VAL 65 CO 0.03 0.43 0.96 -1.20 0.00 0.00 0.00 175.10 175.33 1zgg n SER 66 N 4.29 -2.39 -3.49 3.32 7.64 0.50 -4.95 113.62 118.54 1zgg n SER 66 Ca -0.19 -0.35 -0.14 0.00 1.01 0.00 0.00 58.87 59.21 1zgg n SER 66 Cb 0.51 -1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.50 -0.56 0.62 6.43 0.01 -1.21 -3.97 113.70 112.52 1zgg s SER 67 Ca 0.68 0.34 -0.17 0.00 1.31 0.00 0.00 55.95 58.12 1zgg s SER 67 Cb -0.23 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 1zgg s SER 67 CO 0.64 -0.71 1.13 -2.16 0.41 0.00 0.00 173.24 172.55 1zgg s PRO 68 N -2.32 2.98 -0.40 12.44 0.04 -1.25 -2.89 135.00 143.60 1zgg s PRO 68 Ca -0.04 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1zgg s PRO 68 Cb -0.01 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1zgg s PRO 68 CO -0.01 -1.13 1.11 -1.17 0.04 0.00 0.00 177.00 175.83 1zgg s LEU 69 N -4.45 3.78 0.26 -3.56 2.96 0.21 -4.73 118.68 113.16 1zgg s LEU 69 Ca 0.70 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 1zgg s LEU 69 Cb -0.23 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1zgg s LEU 69 CO 0.36 -1.07 -0.02 0.42 -1.32 0.00 0.00 176.35 174.71 1zgg s THR 70 N 4.07 1.31 0.29 3.68 -4.23 -1.26 -4.85 115.64 114.65 1zgg s THR 70 Ca 0.47 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1zgg s THR 70 Cb -0.10 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1zgg s THR 70 CO 0.24 -0.30 1.71 -0.08 -0.54 0.00 0.00 174.62 175.65 1zgg h GLU 71 N 2.37 0.32 -0.56 3.99 4.81 -1.98 -1.61 114.58 121.92 1zgg h GLU 71 Ca -0.39 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1zgg h GLU 71 Cb 1.23 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1zgg h GLU 71 CO 0.66 0.64 0.09 1.05 -0.73 0.00 0.00 179.01 180.72 1zgg h GLU 72 N 0.27 0.89 -0.34 1.92 4.11 -1.98 0.98 114.58 120.43 1zgg h GLU 72 Ca 0.03 -0.21 -0.13 0.00 0.07 0.00 0.00 59.36 59.13 1zgg h GLU 72 Cb 0.76 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1zgg h GLU 72 CO 0.06 0.83 -0.28 1.25 0.07 0.00 0.00 179.01 180.93 1zgg h LEU 73 N 0.84 0.83 -0.61 3.06 5.85 -1.73 -0.59 115.31 122.95 1zgg h LEU 73 Ca 0.18 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1zgg h LEU 73 Cb 0.37 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1zgg h LEU 73 CO 0.01 1.11 0.34 -0.03 -0.34 0.00 0.00 178.44 179.52 1zgg h MET 74 N 0.56 0.63 -0.22 1.25 4.05 -0.88 -0.85 114.93 119.47 1zgg h MET 74 Ca 0.06 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 1zgg h MET 74 Cb 0.85 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1zgg h MET 74 CO 0.07 0.41 -0.42 0.93 0.23 0.00 0.00 176.91 178.14 1zgg h GLU 75 N 0.64 0.52 -0.45 0.39 5.08 -0.69 -3.12 114.58 116.96 1zgg h GLU 75 Ca 0.27 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1zgg h GLU 75 Cb 0.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1zgg h GLU 75 CO -0.16 0.85 -0.17 0.77 -1.00 0.00 0.00 179.01 179.30 1zgg h SER 76 N 0.43 0.87 -3.70 1.42 0.02 -0.50 -3.45 113.55 108.63 1zgg h SER 76 Ca 0.03 -0.30 -0.46 0.00 -0.84 0.00 0.00 61.79 60.23 1zgg h SER 76 Cb 0.91 -0.24 0.12 0.00 0.14 0.00 0.00 62.40 63.34 1zgg h SER 76 CO 0.08 1.03 0.32 0.00 -1.14 0.00 0.00 176.83 177.13 1zgg s ALA 77 N -4.71 2.76 0.00 3.77 0.00 -0.38 -4.91 121.76 118.29 1zgg s ALA 77 Ca -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1zgg s ALA 77 Cb 0.13 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1zgg s ALA 77 CO 0.84 -1.92 0.00 -3.47 0.00 0.00 0.00 175.76 171.21 1zgg n ASP 78 N -3.36 1.03 -3.93 0.00 2.03 0.06 -4.93 116.55 107.45 1zgg n ASP 78 Ca 0.13 -0.13 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 1zgg n ASP 78 Cb 0.60 0.47 -0.12 0.00 -0.72 0.00 0.00 41.12 41.35 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 -1.15 2.09 -0.02 -2.67 2.96 -0.16 -4.91 118.68 114.82 1zgg s LEU 79 Ca 0.00 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1zgg s LEU 79 Cb 0.00 0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.80 1zgg s LEU 79 CO 0.00 -0.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.05 1zgg s VAL 80 N -0.90 0.84 -0.33 1.68 1.01 -0.29 -1.17 120.40 121.23 1zgg s VAL 80 Ca -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1zgg s VAL 80 Cb -0.06 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.70 1zgg s VAL 80 CO -0.00 0.25 0.13 -0.22 0.00 0.00 0.00 175.10 175.26 1zgg s LEU 81 N 0.04 2.11 0.03 3.92 0.20 0.26 -1.23 118.68 124.00 1zgg s LEU 81 Ca -0.01 -1.83 -0.00 0.00 0.69 0.00 0.00 54.13 52.98 1zgg s LEU 81 Cb -0.07 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 1zgg s LEU 81 CO 0.00 -0.38 0.14 0.00 -0.29 0.00 0.00 176.35 175.82 1zgg s ALA 82 N 1.39 3.79 0.13 5.97 0.00 -0.24 -1.26 121.76 131.54 1zgg s ALA 82 Ca 0.12 -0.87 0.24 0.00 0.00 0.00 0.00 51.96 51.45 1zgg s ALA 82 Cb -0.19 -1.69 0.91 0.00 0.00 0.00 0.00 23.12 22.15 1zgg s ALA 82 CO -0.20 0.76 1.82 0.52 0.00 0.00 0.00 175.76 178.66 1zgg h MET 83 N 3.57 0.00 -3.98 0.00 0.00 -1.68 0.15 114.93 112.99 1zgg h MET 83 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 59.70 59.09 1zgg h MET 83 Cb 1.17 0.00 -0.11 0.00 0.00 0.00 0.00 31.60 32.67 1zgg h MET 83 CO 0.69 0.22 -0.27 0.95 0.00 0.00 0.00 176.91 178.50 1zgg s THR 84 N -3.64 0.00 0.37 2.22 -4.23 -1.26 -4.40 115.64 104.70 1zgg s THR 84 Ca 0.01 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1zgg s THR 84 Cb 0.10 -2.35 0.27 0.00 1.34 0.00 0.00 72.50 71.86 1zgg s THR 84 CO 0.64 0.00 2.02 1.12 -0.54 0.00 0.00 174.62 177.85 1zgg h HIS 85 N 2.33 0.70 -0.74 3.99 2.07 -1.90 -1.44 115.15 120.16 1zgg h HIS 85 Ca -0.29 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.19 1zgg h HIS 85 Cb 1.25 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 30.96 1zgg h HIS 85 CO 0.55 0.43 0.24 0.37 -3.07 0.00 0.00 177.93 176.45 1zgg h GLN 86 N 0.74 1.15 -0.28 5.12 5.75 -1.98 0.12 115.11 125.73 1zgg h GLN 86 Ca 0.22 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1zgg h GLN 86 Cb -0.01 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1zgg h GLN 86 CO -0.05 0.97 0.16 0.45 -2.65 0.00 0.00 178.83 177.71 1zgg h HIS 87 N 1.10 0.36 -0.93 3.99 3.86 -1.79 -0.56 115.15 121.18 1zgg h HIS 87 Ca 0.24 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.51 1zgg h HIS 87 Cb 0.30 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1zgg h HIS 87 CO 0.02 0.27 0.59 -0.22 0.86 0.00 0.00 177.93 179.46 1zgg h LYS 88 N 0.35 1.04 -0.14 2.45 3.64 -0.55 -0.71 116.57 122.64 1zgg h LYS 88 Ca 0.10 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1zgg h LYS 88 Cb 0.02 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1zgg h LYS 88 CO -0.02 0.69 -0.53 1.96 -2.27 0.00 0.00 179.45 179.28 1zgg h GLN 89 N 1.07 0.40 -0.34 1.90 4.20 -0.52 -1.24 115.11 120.58 1zgg h GLN 89 Ca 0.40 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1zgg h GLN 89 Cb 0.17 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1zgg h GLN 89 CO -0.17 0.83 0.09 0.82 -0.67 0.00 0.00 178.83 179.73 1zgg h ILE 90 N 0.31 1.22 -0.47 2.54 2.04 -0.25 0.04 117.51 122.93 1zgg h ILE 90 Ca 0.01 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.21 1zgg h ILE 90 Cb 1.03 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1zgg h ILE 90 CO 0.09 0.24 0.20 0.40 0.00 0.00 0.00 178.15 179.08 1zgg h ILE 91 N 0.39 0.89 -0.64 -0.67 2.04 -0.96 -0.22 117.51 118.33 1zgg h ILE 91 Ca 0.11 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1zgg h ILE 91 Cb 0.28 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1zgg h ILE 91 CO -0.00 0.07 0.40 0.00 0.00 0.00 0.00 178.15 178.62 1zgg h ALA 92 N 1.29 0.84 -0.24 1.87 0.00 -1.00 -1.59 119.26 120.43 1zgg h ALA 92 Ca 0.22 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1zgg h ALA 92 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1zgg h ALA 92 CO -0.20 0.15 -0.34 0.77 0.00 0.00 0.00 179.25 179.63 1zgg h SER 93 N 0.78 0.53 0.71 0.00 0.02 0.23 0.79 113.55 116.62 1zgg h SER 93 Ca 0.26 -0.21 -0.26 0.00 -0.84 0.00 0.00 61.79 60.73 1zgg h SER 93 Cb 0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1zgg h SER 93 CO -0.10 0.84 -1.22 0.06 -1.14 0.00 0.00 176.83 175.26 1zgg h GLN 94 N 0.44 0.18 0.00 3.45 3.07 -0.85 -3.37 115.11 118.03 1zgg h GLN 94 Ca 0.05 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 58.48 1zgg h GLN 94 Cb 0.81 0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.48 1zgg h GLN 94 CO 0.07 1.12 -1.42 1.19 0.09 0.00 0.00 178.83 179.88 1zgg n PHE 95 N -3.46 0.04 -1.14 0.06 3.72 -0.62 -5.00 117.46 111.06 1zgg n PHE 95 Ca -0.07 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1zgg n PHE 95 Cb 1.00 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1zgg n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zgg n GLY 96 N 1.38 0.72 3.78 1.37 0.00 -0.13 -4.53 105.19 107.79 1zgg n GLY 96 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.86 -4.02 0.00 1.61 0.63 0.08 -4.89 116.66 109.22 1zgg n ARG 97 Ca 0.00 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1zgg n ARG 97 Cb 0.33 -4.88 0.01 0.00 0.45 0.00 0.00 32.46 28.38 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1zgg n TYR 98 N -4.29 0.00 0.34 -0.14 4.02 -1.26 -4.49 117.16 111.34 1zgg n TYR 98 Ca -0.29 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.64 1zgg n TYR 98 Cb 0.67 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.18 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 -0.51 0.08 -0.25 -0.72 1.85 -1.26 -3.48 116.66 112.38 1zgg n ARG 99 Ca 0.00 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.21 1zgg n ARG 99 Cb 0.00 -1.50 0.38 0.00 -1.05 0.00 0.00 32.46 30.29 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 0.64 -0.05 2.89 3.58 -2.00 -0.57 116.42 120.91 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 0.08 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1zgg h ASP 100 CO 0.00 0.34 0.00 2.29 -2.88 0.00 0.00 179.24 178.99 1zgg n LYS 101 N -4.54 1.67 -3.62 0.28 2.85 -1.23 -4.89 118.16 108.69 1zgg n LYS 101 Ca 0.16 -0.98 -0.38 0.00 -1.05 0.00 0.00 58.31 56.06 1zgg n LYS 101 Cb 0.43 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.95 5.17 0.04 0.58 1.01 -0.22 -1.13 120.40 123.89 1zgg s VAL 102 Ca 0.37 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1zgg s VAL 102 Cb 0.20 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1zgg s VAL 102 CO 0.32 0.58 -0.05 -0.36 0.00 0.00 0.00 175.10 175.59 1zgg s PHE 103 N -1.08 0.51 0.67 5.22 0.40 -0.37 -4.96 117.98 118.37 1zgg s PHE 103 Ca 0.22 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1zgg s PHE 103 Cb -0.15 -0.33 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 1zgg s PHE 103 CO 0.11 -0.17 1.06 0.95 0.70 0.00 0.00 175.22 177.87 1zgg s THR 104 N -1.98 4.14 0.21 0.64 -4.23 -1.26 -1.08 115.64 112.08 1zgg s THR 104 Ca -0.08 0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1zgg s THR 104 Cb -0.06 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.31 1zgg s THR 104 CO -0.02 -0.91 1.88 0.25 -0.54 0.00 0.00 174.62 175.28 1zgg h LEU 105 N -0.54 0.88 0.14 4.79 5.85 -0.90 -0.31 115.31 125.22 1zgg h LEU 105 Ca -0.44 -0.03 -0.26 0.00 0.84 0.00 0.00 57.88 57.99 1zgg h LEU 105 Cb 1.22 -0.22 0.03 0.00 0.37 0.00 0.00 40.66 42.05 1zgg h LEU 105 CO 0.61 0.64 -1.08 0.11 -0.34 0.00 0.00 178.44 178.39 1zgg h LYS 106 N 1.03 0.49 -0.94 1.25 6.56 -1.82 -3.38 116.57 119.77 1zgg h LYS 106 Ca 0.28 -0.71 0.12 0.00 -1.06 0.00 0.00 60.65 59.27 1zgg h LYS 106 Cb -0.11 0.25 -0.08 0.00 -0.57 0.00 0.00 32.23 31.71 1zgg h LYS 106 CO -0.06 1.32 0.57 1.49 -2.06 0.00 0.00 179.45 180.71 1zgg h GLU 107 N 0.02 0.88 0.00 3.15 4.81 -0.83 0.18 114.58 122.78 1zgg h GLU 107 Ca -0.17 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1zgg h GLU 107 Cb 1.81 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.99 1zgg h GLU 107 CO 0.21 0.58 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.14 1zgg h TYR 108 N 0.90 0.00 0.00 0.92 3.20 -1.25 -2.35 116.97 118.39 1zgg h TYR 108 Ca 0.47 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.31 1zgg h TYR 108 Cb 0.47 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1zgg h TYR 108 CO -0.03 0.00 -0.85 0.28 -1.64 0.00 0.00 178.16 175.92 1zgg n VAL 109 N -3.16 0.44 0.16 1.81 0.31 0.29 -4.76 118.33 113.42 1zgg n VAL 109 Ca -0.03 0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.50 1zgg n VAL 109 Cb 0.09 -1.57 0.08 0.00 -0.91 0.00 0.00 33.84 31.53 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 0.00 -0.01 2.52 1.35 -0.92 -3.48 112.91 112.29 1zgg h THR 110 Ca -0.05 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 1zgg h THR 110 Cb 0.79 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1zgg h THR 110 CO -0.03 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.85 1zgg n GLY 111 N 1.14 0.47 3.01 5.82 0.00 -0.88 -5.03 105.19 109.72 1zgg n GLY 111 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.21 0.35 0.60 1.61 0.01 -1.26 -4.96 113.70 107.85 1zgg s SER 112 Ca 0.00 -0.58 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 1zgg s SER 112 Cb 0.00 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 1zgg s SER 112 CO 0.00 -0.33 1.27 -2.28 0.41 0.00 0.00 173.24 172.31 1zgg s HIS 113 N -1.79 2.26 -2.71 2.43 2.46 -1.26 -2.13 115.29 114.55 1zgg s HIS 113 Ca -0.12 1.48 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1zgg s HIS 113 Cb -0.08 -3.62 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 1zgg s HIS 113 CO -0.02 -2.60 0.00 0.41 -2.47 0.00 0.00 174.74 170.06 1zgg n GLY 114 N 0.71 -2.07 3.16 1.59 0.00 -1.26 -4.86 105.19 102.45 1zgg n GLY 114 Ca 0.14 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.13 0.30 0.91 1.61 2.15 -1.26 -3.58 116.67 116.66 1zgg s ASP 115 Ca 0.00 -0.93 -0.12 0.00 0.43 0.00 0.00 52.55 51.93 1zgg s ASP 115 Cb 0.00 0.29 0.14 0.00 -0.30 0.00 0.00 42.92 43.04 1zgg s ASP 115 CO 0.00 -0.70 1.11 -0.69 -0.17 0.00 0.00 175.17 174.72 1zgg s VAL 116 N -3.94 2.31 0.07 1.11 1.01 -1.26 -4.93 120.40 114.77 1zgg s VAL 116 Ca 0.11 0.10 -0.36 0.00 0.00 0.00 0.00 61.98 61.83 1zgg s VAL 116 Cb 0.06 -2.74 -0.16 0.00 0.00 0.00 0.00 36.38 33.55 1zgg s VAL 116 CO -0.07 -0.13 1.46 -0.11 0.00 0.00 0.00 175.10 176.25 1zgg n LEU 117 N -3.84 2.15 -4.45 3.92 0.00 -1.26 -4.96 117.00 108.56 1zgg n LEU 117 Ca 0.06 1.10 -0.44 0.00 0.00 0.00 0.00 56.01 56.74 1zgg n LEU 117 Cb 0.58 -1.25 -0.05 0.00 0.00 0.00 0.00 43.42 42.69 1zgg n LEU 117 CO 0.57 -0.76 0.47 -0.62 0.00 0.00 0.00 177.39 177.04 1zgg s ASP 118 N 0.98 6.24 0.00 1.96 2.15 -1.26 -4.86 116.67 121.88 1zgg s ASP 118 Ca 0.84 -0.89 0.30 0.00 0.43 0.00 0.00 52.55 53.23 1zgg s ASP 118 Cb -0.88 -2.33 1.40 0.00 -0.30 0.00 0.00 42.92 40.80 1zgg s ASP 118 CO 0.46 -1.04 1.96 -0.81 -0.17 0.00 0.00 175.17 175.57 1zgg n PRO 119 N 6.60 0.70 -1.65 4.34 -0.04 -1.26 -4.92 135.00 138.77 1zgg n PRO 119 Ca -0.05 -0.17 -0.44 0.00 -0.04 0.00 0.00 63.50 62.80 1zgg n PRO 119 Cb 0.45 -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 -1.00 2.36 -0.27 0.54 7.35 -1.26 -0.51 117.46 124.67 1zgg n PHE 120 Ca 0.16 -0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1zgg n PHE 120 Cb 0.25 -2.75 0.00 0.00 0.35 0.00 0.00 39.48 37.33 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 4.73 0.82 3.95 7.13 0.00 -1.26 -5.07 105.19 115.49 1zgg n GLY 121 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1zgg n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zgg s GLY 122 N -1.56 1.77 0.89 -0.02 0.00 0.33 -5.10 107.32 103.64 1zgg s GLY 122 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 1zgg s GLY 122 CO 0.00 -0.62 1.12 -0.56 0.00 0.00 0.00 173.10 173.04 1zgg s SER 123 N -4.83 3.63 0.44 1.64 0.01 -1.26 -4.90 113.70 108.42 1zgg s SER 123 Ca 0.71 1.09 0.17 0.00 1.31 0.00 0.00 55.95 59.23 1zgg s SER 123 Cb -0.05 -1.72 1.09 0.00 0.21 0.00 0.00 66.02 65.55 1zgg s SER 123 CO 0.50 -2.49 1.92 -0.29 0.41 0.00 0.00 173.24 173.29 1zgg h ILE 124 N -1.45 0.78 -0.74 1.44 6.09 -1.97 -0.11 117.51 121.56 1zgg h ILE 124 Ca -0.50 -0.13 0.04 0.00 -1.37 0.00 0.00 64.86 62.90 1zgg h ILE 124 Cb 1.32 0.37 -0.04 0.00 0.47 0.00 0.00 36.82 38.93 1zgg h ILE 124 CO 0.60 0.07 0.48 -0.78 -3.07 0.00 0.00 178.15 175.46 1zgg h ASP 125 N 0.38 0.75 -0.22 2.19 3.58 -1.97 0.67 116.42 121.78 1zgg h ASP 125 Ca 0.37 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.63 1zgg h ASP 125 Cb 0.89 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1zgg h ASP 125 CO -0.11 0.50 -0.53 0.40 -2.88 0.00 0.00 179.24 176.63 1zgg h ILE 126 N 0.86 1.28 -0.27 2.25 1.08 -1.36 0.98 117.51 122.33 1zgg h ILE 126 Ca 0.30 -1.72 -0.09 0.00 -0.39 0.00 0.00 64.86 62.96 1zgg h ILE 126 Cb 0.11 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1zgg h ILE 126 CO -0.09 0.56 -0.22 1.88 -0.69 0.00 0.00 178.15 179.59 1zgg h TYR 127 N 0.63 0.55 -0.49 1.37 -1.99 -1.27 -0.87 116.97 114.90 1zgg h TYR 127 Ca 0.02 -0.11 -0.10 0.00 2.00 0.00 0.00 58.73 60.54 1zgg h TYR 127 Cb 1.12 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 1zgg h TYR 127 CO 0.06 0.68 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.60 1zgg h LYS 128 N 0.45 0.88 -0.45 4.88 3.11 -0.31 0.54 116.57 125.65 1zgg h LYS 128 Ca 0.07 -0.29 -0.07 0.00 -2.81 0.00 0.00 60.65 57.55 1zgg h LYS 128 Cb 0.63 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 1zgg h LYS 128 CO 0.04 0.93 0.00 1.96 -2.81 0.00 0.00 179.45 179.57 1zgg h GLN 129 N 0.79 0.80 -0.10 1.90 4.20 -0.60 -2.91 115.11 119.20 1zgg h GLN 129 Ca 0.13 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1zgg h GLN 129 Cb 0.59 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1zgg h GLN 129 CO 0.04 0.86 0.07 1.15 -0.67 0.00 0.00 178.83 180.27 1zgg h THR 130 N 0.64 1.03 0.00 -0.54 2.02 -0.82 -2.68 112.91 112.56 1zgg h THR 130 Ca 0.13 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 1zgg h THR 130 Cb 0.50 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1zgg h THR 130 CO 0.02 0.03 -0.28 0.08 0.37 0.00 0.00 175.52 175.74 1zgg h ARG 131 N 0.14 0.00 -0.24 6.66 0.11 -0.85 0.13 114.38 120.33 1zgg h ARG 131 Ca 0.04 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.05 1zgg h ARG 131 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 1zgg h ARG 131 CO -0.01 0.28 -0.12 0.22 0.10 0.00 0.00 179.97 180.45 1zgg h ASP 132 N 0.00 0.52 -0.37 0.08 3.58 -1.30 -0.33 116.42 118.59 1zgg h ASP 132 Ca -0.00 -0.41 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 1zgg h ASP 132 Cb 0.53 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1zgg h ASP 132 CO 0.04 0.81 0.01 -0.08 -2.88 0.00 0.00 179.24 177.14 1zgg h GLU 133 N 0.22 0.64 -0.89 0.28 4.81 -1.07 -2.77 114.58 115.80 1zgg h GLU 133 Ca 0.05 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1zgg h GLU 133 Cb 0.62 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1zgg h GLU 133 CO 0.04 0.74 0.48 1.25 -0.73 0.00 0.00 179.01 180.79 1zgg h LEU 134 N 0.46 1.13 -0.38 1.64 5.85 -0.74 -1.32 115.31 121.97 1zgg h LEU 134 Ca 0.11 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1zgg h LEU 134 Cb 0.45 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1zgg h LEU 134 CO 0.02 0.92 0.13 -0.08 -0.34 0.00 0.00 178.44 179.09 1zgg h GLU 135 N 1.26 0.57 -0.78 1.25 4.81 -0.97 0.12 114.58 120.85 1zgg h GLU 135 Ca 0.31 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1zgg h GLU 135 Cb 0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1zgg h GLU 135 CO -0.05 0.57 0.32 1.49 -0.73 0.00 0.00 179.01 180.61 1zgg h GLU 136 N 0.46 1.15 -0.31 1.92 4.81 -1.11 0.10 114.58 121.61 1zgg h GLU 136 Ca 0.12 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1zgg h GLU 136 Cb 0.22 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1zgg h GLU 136 CO -0.01 0.93 0.00 1.25 -0.73 0.00 0.00 179.01 180.46 1zgg h LEU 137 N 1.12 0.53 -1.06 1.64 5.85 -1.13 -2.97 115.31 119.29 1zgg h LEU 137 Ca 0.26 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1zgg h LEU 137 Cb 0.20 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1zgg h LEU 137 CO -0.02 0.70 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.41 1zgg h LEU 138 N 0.33 0.00 -0.75 2.25 3.38 -0.41 -0.82 115.31 119.30 1zgg h LEU 138 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1zgg h LEU 138 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1zgg h LEU 138 CO 0.02 0.30 0.24 0.03 0.09 0.00 0.00 178.44 179.12 1zgg h ARG 139 N 0.00 1.16 -0.14 1.13 3.08 -0.76 -1.28 114.38 117.57 1zgg h ARG 139 Ca -0.00 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1zgg h ARG 139 Cb 0.80 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1zgg h ARG 139 CO 0.04 0.98 -0.36 1.96 -1.07 0.00 0.00 179.97 181.52 1zgg h GLN 140 N 1.11 0.29 -0.31 0.04 4.20 -1.06 -0.14 115.11 119.24 1zgg h GLN 140 Ca 0.24 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1zgg h GLN 140 Cb 0.30 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1zgg h GLN 140 CO -0.01 0.61 0.11 -0.07 -0.67 0.00 0.00 178.83 178.80 1zgg h LEU 141 N 0.25 0.13 -0.70 1.46 4.07 -0.76 -0.63 115.31 119.13 1zgg h LEU 141 Ca 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1zgg h LEU 141 Cb 0.75 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 1zgg h LEU 141 CO 0.06 0.11 0.33 0.00 -1.08 0.00 0.00 178.44 177.86 1zgg h ALA 142 N 1.19 0.90 -0.48 1.53 0.00 -0.82 -0.30 119.26 121.28 1zgg h ALA 142 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1zgg h ALA 142 Cb 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1zgg h ALA 142 CO -0.14 0.46 0.21 -0.22 0.00 0.00 0.00 179.25 179.57 1zgg h LYS 143 N 0.97 0.40 0.27 0.00 3.64 -0.70 0.02 116.57 121.17 1zgg h LYS 143 Ca 0.24 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1zgg h LYS 143 Cb 0.12 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1zgg h LYS 143 CO -0.03 0.27 -0.13 1.96 -2.27 0.00 0.00 179.45 179.24 1zgg h GLN 144 N 0.41 -0.35 -0.06 1.90 4.20 -0.67 -3.20 115.11 117.34 1zgg h GLN 144 Ca 0.22 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 1zgg h GLN 144 Cb 0.18 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1zgg h GLN 144 CO -0.19 -0.06 -0.35 -0.07 -0.67 0.00 0.00 178.83 177.49 1zgg h LEU 145 N -0.65 0.13 -1.38 1.46 3.38 -0.84 -1.48 115.31 115.94 1zgg h LEU 145 Ca -0.04 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1zgg h LEU 145 Cb 0.46 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1zgg h LEU 145 CO 0.06 0.47 0.43 0.11 0.09 0.00 0.00 178.44 179.61 1zgg h LYS 146 N 0.11 0.82 0.38 1.13 1.79 -1.06 -2.93 116.57 116.80 1zgg h LYS 146 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1zgg h LYS 146 Cb 0.68 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1zgg h LYS 146 CO 0.05 0.54 -0.18 -0.22 -1.08 0.00 0.00 179.45 178.56 1zgg h LYS 147 N 0.84 -0.49 -1.67 3.15 3.64 -1.28 -3.48 116.57 117.28 1zgg h LYS 147 Ca 0.25 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.74 1zgg h LYS 147 Cb -0.04 0.11 -0.22 0.00 -0.41 0.00 0.00 32.23 31.68 1zgg h LYS 147 CO -0.06 -0.18 0.53 0.34 -2.27 0.00 0.00 179.45 177.81 1zgg s ASP 148 N -5.01 -0.38 0.32 4.20 2.15 -0.94 -5.14 116.67 111.87 1zgg s ASP 148 Ca -0.12 0.36 -0.29 0.00 0.43 0.00 0.00 52.55 52.92 1zgg s ASP 148 Cb 0.01 0.32 -0.11 0.00 -0.30 0.00 0.00 42.92 42.84 1zgg s ASP 148 CO 0.44 -0.39 1.52 0.00 -0.17 0.00 0.00 175.17 176.56 1zgg s ARG 149 N -1.39 4.16 0.00 4.34 1.04 -1.25 -4.02 118.95 121.82 1zgg s ARG 149 Ca -0.01 2.51 0.31 0.00 -1.04 0.00 0.00 55.73 57.50 1zgg s ARG 149 Cb -0.01 -3.02 1.88 0.00 -2.04 0.00 0.00 34.95 31.76 1zgg s ARG 149 CO 0.01 -0.54 2.20 0.54 -0.04 0.00 0.00 175.30 177.47