#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 0.82 0.08 6.12 -1.08 -1.26 -1.35 116.67 120.00 1zgg s ASP 2 Ca 0.00 0.05 0.09 0.00 -0.52 0.00 0.00 52.55 52.17 1zgg s ASP 2 Cb 0.00 -0.15 -0.03 0.00 -1.46 0.00 0.00 42.92 41.28 1zgg s ASP 2 CO 0.00 -0.20 -0.24 -0.63 0.52 0.00 0.00 175.17 174.62 1zgg s ILE 3 N 1.77 1.96 -0.20 4.11 1.01 -0.34 -0.80 121.20 128.71 1zgg s ILE 3 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.19 1zgg s ILE 3 Cb -0.12 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.67 1zgg s ILE 3 CO -0.03 0.17 -0.09 -0.63 0.00 0.00 0.00 174.94 174.35 1zgg s ILE 4 N -0.94 1.60 0.13 2.92 1.01 -0.22 -0.62 121.20 125.07 1zgg s ILE 4 Ca 0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 1zgg s ILE 4 Cb -0.10 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 1zgg s ILE 4 CO 0.03 0.12 1.03 -0.36 0.00 0.00 0.00 174.94 175.77 1zgg s PHE 5 N 1.40 3.69 -0.07 3.97 0.08 -0.57 -0.61 117.98 125.88 1zgg s PHE 5 Ca -0.02 1.68 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 1zgg s PHE 5 Cb -0.17 -3.17 0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1zgg s PHE 5 CO -0.08 -0.23 0.17 0.54 -0.10 0.00 0.00 175.22 175.52 1zgg s VAL 6 N 0.05 -0.06 0.04 -0.44 0.11 -0.40 -1.40 120.40 118.29 1zgg s VAL 6 Ca 0.49 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1zgg s VAL 6 Cb -0.26 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1zgg s VAL 6 CO 0.32 0.08 -0.03 0.00 -3.33 0.00 0.00 175.10 172.13 1zgg h THR 8 N 3.84 0.73 -0.23 0.00 2.02 -1.94 0.66 112.91 117.99 1zgg h THR 8 Ca -0.33 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1zgg h THR 8 Cb 1.17 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1zgg h THR 8 CO 0.54 0.12 0.00 0.61 0.37 0.00 0.00 175.52 177.16 1zgg n GLY 9 N -1.33 3.69 5.00 2.16 0.00 -1.26 -1.01 105.19 112.44 1zgg n GLY 9 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.32 0.00 0.28 1.61 5.15 0.22 -4.51 115.26 117.70 1zgg n ASN 10 Ca 0.16 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.33 1zgg n ASN 10 Cb 0.68 0.00 0.97 0.00 -0.53 0.00 0.00 39.78 40.89 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 0.25 -0.90 -0.44 1.35 -1.88 -2.39 112.91 108.90 1zgg h THR 11 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 1zgg h THR 11 Cb 0.00 0.88 -0.07 0.00 -1.73 0.00 0.00 68.15 67.23 1zgg h THR 11 CO 0.00 0.00 0.58 0.00 -0.25 0.00 0.00 175.52 175.85 1zgg n ARG 13 N -4.57 0.00 -0.31 0.00 0.63 -1.14 -4.29 116.66 106.98 1zgg n ARG 13 Ca 0.18 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.18 1zgg n ARG 13 Cb 0.50 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.64 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 0.66 1.10 6.15 0.02 -1.68 0.16 113.55 119.97 1zgg h SER 14 Ca 0.00 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1zgg h SER 14 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1zgg h SER 14 CO 0.00 0.31 -0.24 1.55 -1.14 0.00 0.00 176.83 177.31 1zgg h PRO 15 N 0.74 0.00 -0.33 3.45 0.13 -1.85 0.45 132.00 134.59 1zgg h PRO 15 Ca 0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.58 1zgg h PRO 15 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1zgg h PRO 15 CO -0.33 0.24 0.10 0.52 -0.23 0.00 0.00 178.00 178.30 1zgg h MET 16 N 0.00 0.51 -0.68 0.86 2.86 -1.34 -1.13 114.93 116.01 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 0.85 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1zgg h MET 16 CO 0.03 0.55 0.17 0.00 1.06 0.00 0.00 176.91 178.72 1zgg h ALA 17 N 0.94 0.90 -0.09 6.32 0.00 -0.79 0.12 119.26 126.65 1zgg h ALA 17 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zgg h ALA 17 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1zgg h ALA 17 CO -0.00 0.61 0.05 1.49 0.00 0.00 0.00 179.25 181.40 1zgg h GLU 18 N 1.02 0.10 -0.38 0.00 4.81 -0.85 0.71 114.58 119.99 1zgg h GLU 18 Ca 0.21 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 1zgg h GLU 18 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1zgg h GLU 18 CO 0.00 0.07 -0.39 0.00 -0.73 0.00 0.00 179.01 177.96 1zgg h ALA 19 N 1.05 0.58 -0.23 2.92 0.00 -0.91 -0.10 119.26 122.56 1zgg h ALA 19 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1zgg h ALA 19 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1zgg h ALA 19 CO -0.02 0.68 0.09 -0.07 0.00 0.00 0.00 179.25 179.93 1zgg h LEU 20 N 0.76 0.31 -0.67 0.00 3.38 -0.90 -1.71 115.31 116.48 1zgg h LEU 20 Ca 0.06 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1zgg h LEU 20 Cb 0.98 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1zgg h LEU 20 CO 0.10 0.39 -0.56 0.15 0.09 0.00 0.00 178.44 178.61 1zgg h PHE 21 N 0.22 0.39 -0.12 1.13 3.57 -0.54 0.13 116.94 121.72 1zgg h PHE 21 Ca 0.08 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1zgg h PHE 21 Cb 0.17 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1zgg h PHE 21 CO -0.01 0.80 0.01 0.87 -2.23 0.00 0.00 178.31 177.75 1zgg h LYS 22 N 0.24 0.05 -0.69 1.11 1.57 -0.98 0.18 116.57 118.06 1zgg h LYS 22 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1zgg h LYS 22 Cb 1.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1zgg h LYS 22 CO 0.09 0.04 0.35 0.77 -0.57 0.00 0.00 179.45 180.12 1zgg h SER 23 N 0.06 0.89 0.08 0.86 0.02 -0.62 -1.44 113.55 113.39 1zgg h SER 23 Ca 0.05 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1zgg h SER 23 Cb 0.06 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1zgg h SER 23 CO -0.08 0.76 -0.58 0.40 -1.14 0.00 0.00 176.83 176.19 1zgg h ILE 24 N 0.96 1.33 -0.80 3.27 2.04 -0.56 -0.83 117.51 122.92 1zgg h ILE 24 Ca 0.24 -1.85 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1zgg h ILE 24 Cb 0.09 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1zgg h ILE 24 CO -0.03 0.57 0.35 0.00 0.00 0.00 0.00 178.15 179.04 1zgg h ALA 25 N 0.98 1.04 -0.43 1.87 0.00 -0.32 0.38 119.26 122.77 1zgg h ALA 25 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1zgg h ALA 25 Cb 1.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zgg h ALA 25 CO 0.11 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 180.84 1zgg h GLU 26 N 1.15 0.75 -0.39 0.00 5.08 -0.93 0.13 114.58 120.37 1zgg h GLU 26 Ca 0.27 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1zgg h GLU 26 Cb 0.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1zgg h GLU 26 CO -0.03 0.81 0.23 0.00 -1.00 0.00 0.00 179.01 179.02 1zgg h ARG 27 N 0.69 0.54 0.00 2.33 2.47 -0.42 -3.20 114.38 116.79 1zgg h ARG 27 Ca 0.12 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1zgg h ARG 27 Cb 0.54 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1zgg h ARG 27 CO 0.03 0.42 -0.22 0.93 0.56 0.00 0.00 179.97 181.69 1zgg h GLU 28 N 0.51 0.00 -1.31 0.04 4.39 -0.64 -3.47 114.58 114.10 1zgg h GLU 28 Ca 0.14 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 1zgg h GLU 28 Cb 0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1zgg h GLU 28 CO -0.03 0.00 -0.26 0.41 -1.16 0.00 0.00 179.01 177.97 1zgg n GLY 29 N 1.23 0.23 3.80 -3.84 0.00 0.33 -5.04 105.19 101.89 1zgg n GLY 29 Ca 0.04 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.99 2.90 -0.33 0.99 1.43 -0.45 -5.03 118.68 115.20 1zgg s LEU 30 Ca 0.00 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1zgg s LEU 30 Cb 0.00 -4.30 0.10 0.00 0.03 0.00 0.00 46.19 42.02 1zgg s LEU 30 CO 0.00 -1.81 0.07 0.21 0.23 0.00 0.00 176.35 175.05 1zgg s ASN 31 N -3.71 4.45 0.24 2.29 2.47 -1.26 -4.74 114.94 114.68 1zgg s ASN 31 Ca 0.60 -1.93 -0.02 0.00 0.42 0.00 0.00 52.86 51.93 1zgg s ASN 31 Cb -0.15 -1.31 -0.03 0.00 -1.45 0.00 0.00 41.25 38.31 1zgg s ASN 31 CO 0.55 -0.39 0.23 0.68 -3.72 0.00 0.00 177.10 174.45 1zgg s VAL 32 N 1.20 0.00 0.04 -5.21 -7.23 -1.26 -4.51 120.40 103.43 1zgg s VAL 32 Ca 0.10 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 1zgg s VAL 32 Cb -0.18 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1zgg s VAL 32 CO -0.15 0.00 -0.17 0.21 -0.31 0.00 0.00 175.10 174.68 1zgg s ASN 33 N -3.17 1.99 0.01 4.85 2.47 -0.46 -5.00 114.94 115.63 1zgg s ASN 33 Ca 0.36 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1zgg s ASN 33 Cb 0.05 -0.14 -0.01 0.00 -1.45 0.00 0.00 41.25 39.69 1zgg s ASN 33 CO 0.14 0.08 -0.02 0.68 -3.72 0.00 0.00 177.10 174.27 1zgg s VAL 34 N -0.84 0.07 0.46 -5.21 -7.23 -1.26 -1.19 120.40 105.20 1zgg s VAL 34 Ca 0.04 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1zgg s VAL 34 Cb -0.08 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.71 1zgg s VAL 34 CO 0.02 -0.19 0.08 -0.13 -0.31 0.00 0.00 175.10 174.56 1zgg s ARG 35 N -0.60 2.06 0.01 4.82 3.00 0.21 -4.95 118.95 123.51 1zgg s ARG 35 Ca -0.06 -2.29 -0.04 0.00 0.00 0.00 0.00 55.73 53.33 1zgg s ARG 35 Cb -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 34.95 33.93 1zgg s ARG 35 CO -0.00 -0.46 0.06 -1.54 0.00 0.00 0.00 175.30 173.37 1zgg s SER 36 N -3.73 0.13 0.19 0.23 1.04 -1.26 -1.51 113.70 108.79 1zgg s SER 36 Ca 0.15 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 1zgg s SER 36 Cb 0.02 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1zgg s SER 36 CO 0.10 -0.35 0.31 0.00 0.98 0.00 0.00 173.24 174.28 1zgg n ALA 37 N 1.48 -0.45 -3.24 5.32 0.00 -0.50 -4.60 120.51 118.51 1zgg n ALA 37 Ca -0.23 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 1zgg n ALA 37 Cb 0.55 0.61 -0.07 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.08 -0.31 0.55 0.00 0.00 -1.20 -2.48 107.32 101.79 1zgg s GLY 38 Ca 0.12 0.49 0.29 0.00 0.00 0.00 0.00 44.72 45.61 1zgg s GLY 38 CO 0.09 0.22 2.13 -0.39 0.00 0.00 0.00 173.10 175.15 1zgg h VAL 39 N 3.18 0.52 0.00 1.40 -1.51 -1.68 0.03 116.25 118.18 1zgg h VAL 39 Ca -0.30 -0.37 -0.08 0.00 -1.23 0.00 0.00 66.70 64.71 1zgg h VAL 39 Cb 1.19 1.24 -0.17 0.00 -2.13 0.00 0.00 31.29 31.42 1zgg h VAL 39 CO 0.42 0.08 -0.69 0.49 -1.23 0.00 0.00 177.57 176.64 1zgg n PHE 40 N -3.66 0.00 -1.20 5.19 3.72 -0.18 -4.77 117.46 116.56 1zgg n PHE 40 Ca -0.02 -0.57 -0.29 0.00 -0.05 0.00 0.00 57.45 56.53 1zgg n PHE 40 Cb 0.19 -0.14 0.18 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.82 0.96 0.02 4.37 0.00 -1.11 -4.69 121.76 120.50 1zgg s ALA 41 Ca 0.25 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1zgg s ALA 41 Cb 0.26 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1zgg s ALA 41 CO -0.08 -2.85 -0.09 -1.12 0.00 0.00 0.00 175.76 171.62 1zgg s SER 42 N -3.51 1.00 0.00 0.00 0.01 -1.26 -4.02 113.70 105.91 1zgg s SER 42 Ca 0.65 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1zgg s SER 42 Cb -0.18 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1zgg s SER 42 CO 0.57 0.00 0.34 -2.65 0.41 0.00 0.00 173.24 171.91 1zgg n PRO 43 N 2.33 0.00 0.00 12.44 -0.02 -1.26 -2.01 135.00 146.49 1zgg n PRO 43 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1zgg n PRO 43 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.82 0.10 -4.73 2.55 2.85 -1.26 -4.64 115.26 109.31 1zgg n ASN 44 Ca 0.00 -1.04 -0.42 0.00 -0.11 0.00 0.00 54.58 53.01 1zgg n ASN 44 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1zgg s GLY 45 N -0.04 2.55 -0.09 8.20 0.00 -0.85 -4.87 107.32 112.22 1zgg s GLY 45 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 45.58 1zgg s GLY 45 CO 0.00 1.93 0.16 -1.59 0.00 0.00 0.00 173.10 173.60 1zgg s LYS 46 N 0.38 0.04 0.29 2.90 -2.85 -1.26 -0.40 119.74 118.83 1zgg s LYS 46 Ca 0.55 0.52 0.00 0.00 -1.00 0.00 0.00 55.97 56.04 1zgg s LYS 46 Cb -0.31 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.08 1zgg s LYS 46 CO 0.33 -0.34 0.00 0.00 0.10 0.00 0.00 175.35 175.44 1zgg n ALA 47 N 5.32 0.00 -2.24 0.59 0.00 -1.08 -4.89 120.51 118.22 1zgg n ALA 47 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1zgg n ALA 47 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1zgg n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zgg s THR 48 N 0.00 0.15 0.49 0.00 -4.23 -1.26 -4.85 115.64 105.94 1zgg s THR 48 Ca 0.00 -1.72 0.27 0.00 -1.18 0.00 0.00 61.69 59.06 1zgg s THR 48 Cb 0.00 -1.72 0.27 0.00 1.34 0.00 0.00 72.50 72.39 1zgg s THR 48 CO 0.00 -0.69 1.80 -0.65 -0.54 0.00 0.00 174.62 174.54 1zgg h PRO 49 N 2.93 0.00 0.00 3.99 0.11 -2.00 -2.93 132.00 134.10 1zgg h PRO 49 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1zgg h PRO 49 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1zgg h PRO 49 CO 0.60 0.00 -0.79 0.72 -0.21 0.00 0.00 178.00 178.32 1zgg n HIS 50 N -2.69 0.00 -0.07 0.65 8.25 -1.26 -4.25 115.22 115.85 1zgg n HIS 50 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1zgg n HIS 50 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 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 0.33 -0.59 -1.41 0.00 -1.95 0.46 119.26 116.11 1zgg h ALA 51 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1zgg h ALA 51 Cb 0.79 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1zgg h ALA 51 CO 0.00 -0.19 0.11 -0.24 0.00 0.00 0.00 179.25 178.93 1zgg h VAL 52 N 0.35 1.25 -0.38 0.00 3.04 -1.78 -1.44 116.25 117.28 1zgg h VAL 52 Ca 0.10 -0.94 -0.16 0.00 -1.01 0.00 0.00 66.70 64.69 1zgg h VAL 52 Cb -0.03 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1zgg h VAL 52 CO -0.02 0.35 -0.39 -0.08 -1.01 0.00 0.00 177.57 176.42 1zgg h GLU 53 N 0.89 0.94 -0.70 4.17 4.57 -1.68 0.96 114.58 123.73 1zgg h GLU 53 Ca 0.18 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.82 1zgg h GLU 53 Cb 0.37 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1zgg h GLU 53 CO 0.01 1.15 0.25 0.00 -1.18 0.00 0.00 179.01 179.24 1zgg h ALA 54 N 0.78 0.91 0.00 2.92 0.00 -0.52 0.09 119.26 123.44 1zgg h ALA 54 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1zgg h ALA 54 Cb 0.99 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1zgg h ALA 54 CO 0.10 0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 179.61 1zgg h LEU 55 N 1.01 0.00 -0.37 0.00 -0.00 -1.18 -1.27 115.31 113.50 1zgg h LEU 55 Ca 0.23 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.94 1zgg h LEU 55 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1zgg h LEU 55 CO -0.01 0.00 -0.43 0.15 -0.00 0.00 0.00 178.44 178.14 1zgg h PHE 56 N 0.00 1.12 -0.28 1.13 3.57 -0.28 0.12 116.94 122.31 1zgg h PHE 56 Ca 0.00 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 1zgg h PHE 56 Cb 0.99 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1zgg h PHE 56 CO 0.00 1.18 -0.21 1.49 -2.23 0.00 0.00 178.31 178.55 1zgg h GLU 57 N 0.74 0.52 0.00 1.11 4.81 -0.92 -0.20 114.58 120.64 1zgg h GLU 57 Ca 0.05 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1zgg h GLU 57 Cb 1.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1zgg h GLU 57 CO 0.10 0.70 0.00 1.17 -0.73 0.00 0.00 179.01 180.25 1zgg n LYS 58 N -4.14 0.12 -2.90 1.92 3.00 -0.49 -4.90 118.16 110.77 1zgg n LYS 58 Ca 0.00 0.48 -0.11 0.00 -0.00 0.00 0.00 58.31 58.68 1zgg n LYS 58 Cb 0.38 -1.79 0.05 0.00 0.00 0.00 0.00 35.03 33.68 1zgg n LYS 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1zgg n HIS 59 N -2.03 -1.37 0.00 5.64 8.25 -0.09 -4.96 115.22 120.67 1zgg n HIS 59 Ca 0.01 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1zgg n HIS 59 Cb 0.12 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.37 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1zgg n ILE 60 N -3.00 0.00 -3.46 1.59 5.41 0.33 -5.02 119.36 115.22 1zgg n ILE 60 Ca -0.17 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.36 1zgg n ILE 60 Cb 0.60 -0.35 0.05 0.00 -0.71 0.00 0.00 39.64 39.23 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 -1.34 -2.53 -0.16 -1.39 0.00 -0.90 -4.87 120.51 109.32 1zgg n ALA 61 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1zgg n ALA 61 Cb 0.23 -4.52 -0.01 0.00 0.00 0.00 0.00 19.45 15.14 1zgg n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1zgg n LEU 62 N -3.55 -0.34 -1.54 0.00 0.00 -1.26 -4.87 117.00 105.43 1zgg n LEU 62 Ca -0.08 0.69 -0.07 0.00 0.00 0.00 0.00 56.01 56.55 1zgg n LEU 62 Cb 0.60 -0.12 0.01 0.00 0.00 0.00 0.00 43.42 43.90 1zgg n LEU 62 CO 0.63 -0.59 -0.11 0.59 0.00 0.00 0.00 177.39 177.90 1zgg n ASN 63 N -4.53 -1.76 -4.15 1.96 3.02 -1.26 -4.97 115.26 103.58 1zgg n ASN 63 Ca 0.02 0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.42 1zgg n ASN 63 Cb 0.13 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.71 1zgg n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1zgg s HIS 64 N -0.37 1.14 -0.11 3.10 5.65 -1.26 -5.06 115.29 118.38 1zgg s HIS 64 Ca 0.06 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.97 1zgg s HIS 64 Cb -0.01 -0.65 0.01 0.00 -1.18 0.00 0.00 32.58 30.75 1zgg s HIS 64 CO 0.14 0.03 -0.18 0.08 -0.65 0.00 0.00 174.74 174.17 1zgg s VAL 65 N -1.13 1.65 1.08 0.89 1.01 -1.26 -2.62 120.40 120.02 1zgg s VAL 65 Ca -0.02 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1zgg s VAL 65 Cb -0.09 -1.48 0.23 0.00 0.00 0.00 0.00 36.38 35.04 1zgg s VAL 65 CO 0.02 0.47 1.13 -0.44 0.00 0.00 0.00 175.10 176.28 1zgg s SER 66 N 0.81 2.00 0.03 3.32 0.01 0.46 -4.97 113.70 115.37 1zgg s SER 66 Ca -0.10 0.78 -0.28 0.00 1.31 0.00 0.00 55.95 57.66 1zgg s SER 66 Cb -0.16 -1.16 0.07 0.00 0.21 0.00 0.00 66.02 64.99 1zgg s SER 66 CO 0.01 -3.47 0.66 -0.44 0.41 0.00 0.00 173.24 170.41 1zgg s SER 67 N -3.92 -0.61 0.31 2.44 0.01 -1.25 -4.02 113.70 106.66 1zgg s SER 67 Ca 0.69 0.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.06 1zgg s SER 67 Cb -0.12 0.56 -0.10 0.00 0.21 0.00 0.00 66.02 66.56 1zgg s SER 67 CO 0.56 -0.75 1.26 -2.16 0.41 0.00 0.00 173.24 172.56 1zgg s PRO 68 N -2.27 4.42 -0.20 12.44 0.04 -1.26 -3.26 135.00 144.91 1zgg s PRO 68 Ca -0.06 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1zgg s PRO 68 Cb -0.00 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1zgg s PRO 68 CO 0.00 -0.11 1.91 -1.17 0.04 0.00 0.00 177.00 177.67 1zgg s LEU 69 N -1.60 3.76 0.16 -3.56 2.96 -0.01 -4.81 118.68 115.58 1zgg s LEU 69 Ca 0.49 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 1zgg s LEU 69 Cb -0.38 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.74 1zgg s LEU 69 CO 0.49 -1.54 -0.04 0.42 -1.32 0.00 0.00 176.35 174.36 1zgg s THR 70 N 6.42 0.89 0.30 3.68 -4.23 -1.26 -4.81 115.64 116.63 1zgg s THR 70 Ca 0.85 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1zgg s THR 70 Cb -0.30 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.59 1zgg s THR 70 CO 0.34 -0.59 1.73 -0.08 -0.54 0.00 0.00 174.62 175.49 1zgg h GLU 71 N 2.72 0.30 -0.33 3.99 4.81 -1.99 -0.76 114.58 123.33 1zgg h GLU 71 Ca -0.37 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1zgg h GLU 71 Cb 1.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1zgg h GLU 71 CO 0.64 0.60 -0.19 1.05 -0.73 0.00 0.00 179.01 180.38 1zgg h GLU 72 N 0.26 0.60 -0.26 1.92 4.11 -1.98 0.17 114.58 119.41 1zgg h GLU 72 Ca 0.03 -0.21 -0.11 0.00 0.07 0.00 0.00 59.36 59.14 1zgg h GLU 72 Cb 0.72 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1zgg h GLU 72 CO 0.05 0.76 -0.25 1.25 0.07 0.00 0.00 179.01 180.90 1zgg h LEU 73 N 0.54 0.67 -0.97 3.06 5.85 -1.62 0.59 115.31 123.44 1zgg h LEU 73 Ca 0.09 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.44 1zgg h LEU 73 Cb 0.63 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1zgg h LEU 73 CO 0.04 1.00 0.60 -0.03 -0.34 0.00 0.00 178.44 179.72 1zgg h MET 74 N 0.35 0.95 0.00 1.25 4.05 -0.89 -0.60 114.93 120.04 1zgg h MET 74 Ca 0.04 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1zgg h MET 74 Cb 0.81 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1zgg h MET 74 CO 0.06 0.63 -0.57 0.93 0.23 0.00 0.00 176.91 178.19 1zgg h GLU 75 N 0.98 0.00 -0.14 0.39 4.39 -0.81 -3.09 114.58 116.29 1zgg h GLU 75 Ca 0.47 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.08 1zgg h GLU 75 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1zgg h GLU 75 CO -0.25 0.38 -0.31 0.77 -1.16 0.00 0.00 179.01 178.44 1zgg h SER 76 N 0.00 0.27 -1.83 1.42 0.02 -0.02 -3.45 113.55 109.96 1zgg h SER 76 Ca -0.02 -0.09 -0.46 0.00 -0.84 0.00 0.00 61.79 60.37 1zgg h SER 76 Cb 1.34 -0.07 0.05 0.00 0.14 0.00 0.00 62.40 63.86 1zgg h SER 76 CO 0.05 0.58 -0.01 0.00 -1.14 0.00 0.00 176.83 176.31 1zgg s ALA 77 N -4.35 4.08 0.00 3.77 0.00 -0.31 -4.94 121.76 120.01 1zgg s ALA 77 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1zgg s ALA 77 Cb 0.14 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1zgg s ALA 77 CO 0.76 -1.03 0.00 -3.47 0.00 0.00 0.00 175.76 172.03 1zgg n ASP 78 N -2.47 1.28 -4.00 0.00 2.03 -0.03 -4.92 116.55 108.43 1zgg n ASP 78 Ca 0.13 -0.02 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 1zgg n ASP 78 Cb 0.60 0.29 -0.14 0.00 -0.72 0.00 0.00 41.12 41.16 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 -0.84 2.08 -0.02 -2.67 2.96 0.02 -4.86 118.68 115.36 1zgg s LEU 79 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1zgg s LEU 79 Cb 0.00 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 1zgg s LEU 79 CO 0.00 0.00 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.21 1zgg s VAL 80 N -0.49 1.06 -0.38 1.68 1.01 -0.19 -1.06 120.40 122.02 1zgg s VAL 80 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1zgg s VAL 80 Cb -0.05 -0.89 0.13 0.00 0.00 0.00 0.00 36.38 35.58 1zgg s VAL 80 CO 0.00 0.30 0.21 -0.22 0.00 0.00 0.00 175.10 175.39 1zgg s LEU 81 N -0.22 1.76 0.11 3.92 0.20 0.22 -1.14 118.68 123.52 1zgg s LEU 81 Ca 0.03 -2.29 -0.13 0.00 0.69 0.00 0.00 54.13 52.43 1zgg s LEU 81 Cb -0.06 -0.69 -0.06 0.00 -0.43 0.00 0.00 46.19 44.94 1zgg s LEU 81 CO -0.00 -0.30 0.49 0.00 -0.29 0.00 0.00 176.35 176.25 1zgg s ALA 82 N 0.86 3.63 0.26 5.97 0.00 0.28 -1.28 121.76 131.47 1zgg s ALA 82 Ca 0.17 -0.20 0.19 0.00 0.00 0.00 0.00 51.96 52.12 1zgg s ALA 82 Cb -0.23 -2.44 0.82 0.00 0.00 0.00 0.00 23.12 21.26 1zgg s ALA 82 CO -0.02 0.49 1.81 0.52 0.00 0.00 0.00 175.76 178.55 1zgg h MET 83 N 3.77 0.00 -4.13 0.00 0.00 -1.46 0.12 114.93 113.24 1zgg h MET 83 Ca -0.49 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.10 1zgg h MET 83 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.65 1zgg h MET 83 CO 0.65 0.33 -0.60 0.95 0.00 0.00 0.00 176.91 178.24 1zgg s THR 84 N -3.83 0.20 0.27 2.22 -4.23 -1.26 -4.26 115.64 104.75 1zgg s THR 84 Ca -0.01 -1.64 0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1zgg s THR 84 Cb 0.12 -1.45 0.15 0.00 1.34 0.00 0.00 72.50 72.66 1zgg s THR 84 CO 0.68 -0.90 1.82 -0.74 -0.54 0.00 0.00 174.62 174.93 1zgg h HIS 85 N 3.09 0.00 -0.36 3.99 2.76 -1.90 -0.63 115.15 122.09 1zgg h HIS 85 Ca -0.34 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.82 1zgg h HIS 85 Cb 1.16 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.10 1zgg h HIS 85 CO 0.51 0.33 0.18 0.37 -1.30 0.00 0.00 177.93 178.02 1zgg h GLN 86 N 0.00 0.51 -0.73 5.26 5.75 -1.99 -1.14 115.11 122.77 1zgg h GLN 86 Ca -0.00 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1zgg h GLN 86 Cb 0.73 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1zgg h GLN 86 CO 0.04 0.44 0.33 1.25 -2.65 0.00 0.00 178.83 178.25 1zgg h HIS 87 N 0.45 1.06 -0.53 3.99 2.76 -1.83 -0.28 115.15 120.77 1zgg h HIS 87 Ca 0.13 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1zgg h HIS 87 Cb 0.09 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 1zgg h HIS 87 CO -0.02 0.78 0.26 -0.22 -1.30 0.00 0.00 177.93 177.43 1zgg h LYS 88 N 1.05 0.49 -0.18 5.26 3.64 -0.85 -1.33 116.57 124.64 1zgg h LYS 88 Ca 0.25 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1zgg h LYS 88 Cb 0.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1zgg h LYS 88 CO -0.03 0.33 -0.32 1.96 -2.27 0.00 0.00 179.45 179.12 1zgg h GLN 89 N 0.51 0.36 -0.34 1.90 4.20 -0.37 -1.24 115.11 120.12 1zgg h GLN 89 Ca 0.24 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1zgg h GLN 89 Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1zgg h GLN 89 CO -0.17 0.64 0.11 0.82 -0.67 0.00 0.00 178.83 179.56 1zgg h ILE 90 N 0.31 1.21 -0.38 2.54 2.04 -0.62 0.01 117.51 122.62 1zgg h ILE 90 Ca 0.04 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1zgg h ILE 90 Cb 0.71 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1zgg h ILE 90 CO 0.05 0.23 0.11 0.40 0.00 0.00 0.00 178.15 178.94 1zgg h ILE 91 N 0.39 0.85 -0.90 -0.67 2.04 -0.85 -0.51 117.51 117.88 1zgg h ILE 91 Ca 0.11 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1zgg h ILE 91 Cb 0.25 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1zgg h ILE 91 CO -0.00 0.05 0.56 0.00 0.00 0.00 0.00 178.15 178.75 1zgg h ALA 92 N 1.26 1.15 -0.29 1.87 0.00 -1.01 -1.57 119.26 120.67 1zgg h ALA 92 Ca 0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1zgg h ALA 92 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1zgg h ALA 92 CO -0.20 0.59 -0.36 0.77 0.00 0.00 0.00 179.25 180.04 1zgg h SER 93 N 1.23 0.69 0.63 0.00 0.02 -0.09 0.52 113.55 116.55 1zgg h SER 93 Ca 0.33 -0.30 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 1zgg h SER 93 Cb -0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1zgg h SER 93 CO -0.06 0.99 -1.18 0.06 -1.14 0.00 0.00 176.83 175.49 1zgg h GLN 94 N 0.55 0.26 0.00 3.45 3.07 -0.83 -3.36 115.11 118.25 1zgg h GLN 94 Ca 0.05 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1zgg h GLN 94 Cb 0.88 0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1zgg h GLN 94 CO 0.08 1.18 -1.32 1.19 0.09 0.00 0.00 178.83 180.05 1zgg n PHE 95 N -3.55 0.09 -1.22 0.06 3.72 -0.62 -5.00 117.46 110.95 1zgg n PHE 95 Ca -0.07 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1zgg n PHE 95 Cb 0.99 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.79 3.70 1.37 0.00 -0.32 -4.54 105.19 107.57 1zgg n GLY 96 Ca 0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.02 -3.39 0.00 1.61 0.63 0.02 -4.88 116.66 109.63 1zgg n ARG 97 Ca 0.00 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1zgg n ARG 97 Cb 0.37 -4.83 0.00 0.00 0.45 0.00 0.00 32.46 28.45 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 -4.18 0.00 -0.00 -0.14 4.02 -1.26 -4.45 117.16 111.14 1zgg n TYR 98 Ca -0.23 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 57.90 1zgg n TYR 98 Cb 0.65 -0.02 0.69 0.00 -0.02 0.00 0.00 39.34 40.65 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 0.07 0.00 -0.80 -0.72 2.43 -1.91 -2.52 114.38 110.93 1zgg h ARG 99 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1zgg h ARG 99 Cb 0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1zgg h ARG 99 CO 0.00 0.00 0.53 0.22 -1.51 0.00 0.00 179.97 179.21 1zgg h ASP 100 N 0.00 0.52 0.97 -3.80 3.58 -2.01 -0.33 116.42 115.34 1zgg h ASP 100 Ca 0.29 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1zgg h ASP 100 Cb 1.53 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1zgg h ASP 100 CO -0.00 0.28 0.00 0.29 -2.88 0.00 0.00 179.24 176.92 1zgg n LYS 101 N -4.51 0.00 -3.82 0.28 5.02 -0.95 -4.87 118.16 109.31 1zgg n LYS 101 Ca 0.15 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.11 1zgg n LYS 101 Cb 0.47 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.00 5.31 0.19 -0.18 1.01 -0.14 -1.02 120.40 122.57 1zgg s VAL 102 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1zgg s VAL 102 Cb 0.18 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1zgg s VAL 102 CO 0.51 0.49 -0.19 -0.36 0.00 0.00 0.00 175.10 175.54 1zgg s PHE 103 N 0.03 1.97 0.36 5.22 0.40 -0.29 -4.98 117.98 120.68 1zgg s PHE 103 Ca 0.09 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1zgg s PHE 103 Cb -0.11 -0.96 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 1zgg s PHE 103 CO -0.00 0.42 0.69 0.99 0.70 0.00 0.00 175.22 178.01 1zgg s THR 104 N -2.10 4.88 0.16 0.64 2.01 -1.26 -0.56 115.64 119.41 1zgg s THR 104 Ca 0.19 0.41 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1zgg s THR 104 Cb -0.06 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1zgg s THR 104 CO 0.08 -0.44 1.78 0.25 -0.69 0.00 0.00 174.62 175.60 1zgg h LEU 105 N 1.43 0.30 -0.13 4.42 5.85 -0.86 -0.18 115.31 126.15 1zgg h LEU 105 Ca -0.47 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1zgg h LEU 105 Cb 1.19 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1zgg h LEU 105 CO 0.65 0.22 -0.24 0.11 -0.34 0.00 0.00 178.44 178.83 1zgg h LYS 106 N 0.42 0.39 -0.99 1.25 1.79 -1.70 -3.35 116.57 114.38 1zgg h LYS 106 Ca 0.18 -0.25 0.17 0.00 -2.18 0.00 0.00 60.65 58.57 1zgg h LYS 106 Cb 0.08 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.66 1zgg h LYS 106 CO -0.12 0.84 0.60 1.49 -1.08 0.00 0.00 179.45 181.18 1zgg h GLU 107 N -0.03 0.78 0.00 3.15 4.81 -0.31 0.19 114.58 123.18 1zgg h GLU 107 Ca 0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1zgg h GLU 107 Cb 0.83 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1zgg h GLU 107 CO 0.05 0.51 0.00 -0.92 -0.73 0.00 0.00 179.01 177.93 1zgg h TYR 108 N 0.80 0.00 0.00 0.92 3.20 -1.20 -2.05 116.97 118.64 1zgg h TYR 108 Ca 0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1zgg h TYR 108 Cb 0.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1zgg h TYR 108 CO -0.02 0.00 -0.72 0.28 -1.64 0.00 0.00 178.16 176.06 1zgg n VAL 109 N -2.52 0.00 0.10 1.81 0.31 0.28 -4.81 118.33 113.50 1zgg n VAL 109 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.43 1zgg n VAL 109 Cb 0.06 -1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 1zgg n VAL 109 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1zgg n THR 110 N -2.76 0.57 -0.87 2.52 -2.24 0.42 -4.97 114.28 106.96 1zgg n THR 110 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1zgg n THR 110 Cb 0.36 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1zgg n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zgg n GLY 111 N 1.19 0.59 2.96 3.38 0.00 -0.77 -5.00 105.19 107.55 1zgg n GLY 111 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 0.58 0.48 1.61 0.01 -1.26 -4.93 113.70 108.13 1zgg s SER 112 Ca 0.00 -0.15 -0.24 0.00 1.31 0.00 0.00 55.95 56.86 1zgg s SER 112 Cb 0.00 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.11 1zgg s SER 112 CO 0.00 0.02 1.42 -1.00 0.41 0.00 0.00 173.24 174.09 1zgg s HIS 113 N -0.30 2.37 0.00 2.43 0.09 -1.26 -1.61 115.29 117.00 1zgg s HIS 113 Ca -0.00 1.28 0.00 0.00 -0.00 0.00 0.00 55.06 56.34 1zgg s HIS 113 Cb -0.03 -3.92 0.00 0.00 -0.00 0.00 0.00 32.58 28.63 1zgg s HIS 113 CO -0.00 -3.03 0.00 0.41 -0.00 0.00 0.00 174.74 172.12 1zgg n GLY 114 N 0.62 -0.30 3.23 -2.22 0.00 -1.26 -4.85 105.19 100.40 1zgg n GLY 114 Ca 0.07 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1zgg n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zgg s ASP 115 N 0.00 0.63 0.79 1.61 2.15 -1.26 -2.30 116.67 118.29 1zgg s ASP 115 Ca 0.00 -1.31 -0.07 0.00 0.43 0.00 0.00 52.55 51.60 1zgg s ASP 115 Cb 0.00 0.26 0.13 0.00 -0.30 0.00 0.00 42.92 43.01 1zgg s ASP 115 CO 0.00 -0.74 1.10 -0.69 -0.17 0.00 0.00 175.17 174.67 1zgg s VAL 116 N -3.95 2.14 0.05 1.11 1.01 -1.26 -4.87 120.40 114.64 1zgg s VAL 116 Ca 0.33 -0.32 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 1zgg s VAL 116 Cb 0.07 -2.81 -0.15 0.00 0.00 0.00 0.00 36.38 33.48 1zgg s VAL 116 CO 0.09 0.00 1.50 -0.11 0.00 0.00 0.00 175.10 176.58 1zgg n LEU 117 N -3.15 2.31 -4.43 3.92 0.00 -1.26 -4.96 117.00 109.43 1zgg n LEU 117 Ca 0.13 1.09 -0.44 0.00 0.00 0.00 0.00 56.01 56.79 1zgg n LEU 117 Cb 0.60 -1.27 -0.06 0.00 0.00 0.00 0.00 43.42 42.69 1zgg n LEU 117 CO 0.46 -0.67 0.36 -0.62 0.00 0.00 0.00 177.39 176.92 1zgg s ASP 118 N 1.25 6.21 0.00 1.96 2.15 -1.26 -4.88 116.67 122.10 1zgg s ASP 118 Ca 0.85 -1.06 0.30 0.00 0.43 0.00 0.00 52.55 53.07 1zgg s ASP 118 Cb -0.86 -2.29 1.49 0.00 -0.30 0.00 0.00 42.92 40.96 1zgg s ASP 118 CO 0.47 -0.96 2.01 -0.81 -0.17 0.00 0.00 175.17 175.71 1zgg n PRO 119 N 6.23 0.75 -1.47 4.34 -0.04 -1.26 -4.94 135.00 138.60 1zgg n PRO 119 Ca -0.07 -0.14 -0.51 0.00 -0.04 0.00 0.00 63.50 62.73 1zgg n PRO 119 Cb 0.45 -1.50 -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 -1.00 1.67 -0.42 0.54 7.35 -1.26 -0.44 117.46 123.90 1zgg n PHE 120 Ca 0.17 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1zgg n PHE 120 Cb 0.23 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.53 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 6.25 0.72 3.81 7.13 0.00 -1.26 -5.08 105.19 116.77 1zgg n GLY 121 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.51 1.70 0.87 -0.02 0.00 0.42 -5.08 107.32 103.69 1zgg s GLY 122 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 43.54 1zgg s GLY 122 CO 0.00 -0.27 1.11 -1.35 0.00 0.00 0.00 173.10 172.58 1zgg s SER 123 N -4.50 3.86 0.53 1.64 1.04 -1.26 -4.90 113.70 110.11 1zgg s SER 123 Ca 0.72 1.23 0.22 0.00 0.48 0.00 0.00 55.95 58.61 1zgg s SER 123 Cb -0.07 -1.91 1.37 0.00 0.10 0.00 0.00 66.02 65.52 1zgg s SER 123 CO 0.54 -2.36 2.05 -0.29 0.98 0.00 0.00 173.24 174.16 1zgg h ILE 124 N -1.36 0.81 -0.35 -1.02 -0.00 -1.97 0.15 117.51 113.77 1zgg h ILE 124 Ca -0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.33 1zgg h ILE 124 Cb 1.29 0.83 -0.02 0.00 -0.00 0.00 0.00 36.82 38.93 1zgg h ILE 124 CO 0.59 0.00 0.06 -0.78 -0.00 0.00 0.00 178.15 178.02 1zgg h ASP 125 N 0.00 0.48 -0.39 2.19 3.58 -1.96 0.86 116.42 121.18 1zgg h ASP 125 Ca 0.16 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.38 1zgg h ASP 125 Cb 0.64 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1zgg h ASP 125 CO -0.00 0.50 -0.38 0.40 -2.88 0.00 0.00 179.24 176.88 1zgg h ILE 126 N 0.51 1.27 -0.67 2.25 1.08 -1.31 0.11 117.51 120.75 1zgg h ILE 126 Ca 0.12 -1.55 -0.07 0.00 -0.39 0.00 0.00 64.86 62.97 1zgg h ILE 126 Cb 0.24 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1zgg h ILE 126 CO 0.00 0.52 0.16 1.88 -0.69 0.00 0.00 178.15 180.02 1zgg h TYR 127 N 0.76 1.11 -0.52 1.37 0.05 -1.33 -0.82 116.97 117.59 1zgg h TYR 127 Ca 0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1zgg h TYR 127 Cb 0.97 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 1zgg h TYR 127 CO 0.06 0.91 0.29 -0.22 -1.05 0.00 0.00 178.16 178.15 1zgg h LYS 128 N 1.01 0.73 -0.70 4.88 3.11 -0.52 0.11 116.57 125.19 1zgg h LYS 128 Ca 0.21 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1zgg h LYS 128 Cb 0.36 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.42 1zgg h LYS 128 CO 0.00 0.56 0.40 1.96 -2.81 0.00 0.00 179.45 179.56 1zgg h GLN 129 N 0.70 0.98 -0.13 1.90 4.20 -0.45 -2.31 115.11 119.99 1zgg h GLN 129 Ca 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1zgg h GLN 129 Cb 0.04 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1zgg h GLN 129 CO -0.03 0.72 0.05 1.15 -0.67 0.00 0.00 178.83 180.05 1zgg h THR 130 N 0.97 1.14 -0.30 -0.54 2.02 -0.82 -2.90 112.91 112.48 1zgg h THR 130 Ca 0.25 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1zgg h THR 130 Cb 0.02 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1zgg h THR 130 CO -0.04 0.13 0.04 0.08 0.37 0.00 0.00 175.52 176.10 1zgg h ARG 131 N 0.05 0.45 -0.35 6.66 0.11 -0.45 0.14 114.38 120.99 1zgg h ARG 131 Ca 0.04 -0.07 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1zgg h ARG 131 Cb 0.16 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1zgg h ARG 131 CO -0.00 0.44 -0.19 0.22 0.10 0.00 0.00 179.97 180.54 1zgg h ASP 132 N 0.44 0.78 -0.28 0.08 3.58 -1.34 0.60 116.42 120.28 1zgg h ASP 132 Ca 0.10 -0.41 -0.13 0.00 0.42 0.00 0.00 57.03 57.01 1zgg h ASP 132 Cb 0.22 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1zgg h ASP 132 CO 0.00 1.02 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.97 1zgg h GLU 133 N 0.54 0.72 -0.84 0.28 4.57 -1.20 -2.91 114.58 115.74 1zgg h GLU 133 Ca 0.08 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1zgg h GLU 133 Cb 0.74 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1zgg h GLU 133 CO 0.06 1.02 0.39 1.25 -1.18 0.00 0.00 179.01 180.55 1zgg h LEU 134 N 0.46 1.11 -0.52 1.64 5.85 -0.68 -1.18 115.31 121.98 1zgg h LEU 134 Ca 0.04 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1zgg h LEU 134 Cb 0.91 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1zgg h LEU 134 CO 0.08 0.94 0.21 -0.08 -0.34 0.00 0.00 178.44 179.25 1zgg h GLU 135 N 1.20 0.79 -0.52 1.25 4.81 -0.84 0.87 114.58 122.13 1zgg h GLU 135 Ca 0.29 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1zgg h GLU 135 Cb 0.14 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1zgg h GLU 135 CO -0.03 0.69 -0.13 1.49 -0.73 0.00 0.00 179.01 180.30 1zgg h GLU 136 N 0.71 1.00 -0.40 1.92 4.57 -1.24 0.53 114.58 121.67 1zgg h GLU 136 Ca 0.17 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1zgg h GLU 136 Cb 0.20 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1zgg h GLU 136 CO -0.01 1.06 0.16 1.25 -1.18 0.00 0.00 179.01 180.29 1zgg h LEU 137 N 0.89 0.55 -0.87 1.64 5.85 -1.03 -2.54 115.31 119.80 1zgg h LEU 137 Ca 0.13 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1zgg h LEU 137 Cb 0.69 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1zgg h LEU 137 CO 0.05 0.57 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.26 1zgg h LEU 138 N 0.50 0.00 -0.67 2.25 4.07 -0.50 -0.15 115.31 120.82 1zgg h LEU 138 Ca 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 1zgg h LEU 138 Cb 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 1zgg h LEU 138 CO -0.01 0.39 0.30 -0.09 -1.08 0.00 0.00 178.44 177.95 1zgg h ARG 139 N 0.00 0.97 -0.06 1.13 2.43 -0.75 -1.35 114.38 116.74 1zgg h ARG 139 Ca -0.00 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1zgg h ARG 139 Cb 0.93 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1zgg h ARG 139 CO 0.05 0.78 -0.38 1.96 -1.51 0.00 0.00 179.97 180.88 1zgg h GLN 140 N 0.93 0.12 -0.60 0.20 4.20 -0.85 -1.44 115.11 117.67 1zgg h GLN 140 Ca 0.23 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1zgg h GLN 140 Cb 0.15 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1zgg h GLN 140 CO -0.03 0.49 0.34 -0.07 -0.67 0.00 0.00 178.83 178.89 1zgg h LEU 141 N 0.11 0.53 -0.68 1.46 4.07 -0.49 0.83 115.31 121.14 1zgg h LEU 141 Ca 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1zgg h LEU 141 Cb 0.72 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1zgg h LEU 141 CO 0.05 0.36 0.33 0.00 -1.08 0.00 0.00 178.44 178.10 1zgg h ALA 142 N 1.29 0.87 -0.38 1.53 0.00 -0.72 -0.76 119.26 121.09 1zgg h ALA 142 Ca 0.25 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1zgg h ALA 142 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1zgg h ALA 142 CO -0.14 0.44 0.20 0.87 0.00 0.00 0.00 179.25 180.61 1zgg h LYS 143 N 0.94 0.39 0.10 0.00 1.57 -0.73 -0.77 116.57 118.06 1zgg h LYS 143 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1zgg h LYS 143 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1zgg h LYS 143 CO -0.03 0.26 -0.11 1.96 -0.57 0.00 0.00 179.45 180.96 1zgg h GLN 144 N 0.40 -0.23 -0.69 3.15 1.08 -0.31 -0.83 115.11 117.68 1zgg h GLN 144 Ca 0.16 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1zgg h GLN 144 Cb 0.06 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1zgg h GLN 144 CO -0.10 -0.15 0.18 -0.07 -0.95 0.00 0.00 178.83 177.73 1zgg h LEU 145 N -0.24 1.03 -1.34 1.46 3.38 -0.98 -0.09 115.31 118.53 1zgg h LEU 145 Ca 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1zgg h LEU 145 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1zgg h LEU 145 CO -0.04 0.99 -0.19 0.11 0.09 0.00 0.00 178.44 179.40 1zgg h LYS 146 N 1.02 0.20 0.37 1.13 1.57 -0.95 -2.91 116.57 117.00 1zgg h LYS 146 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1zgg h LYS 146 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1zgg h LYS 146 CO 0.00 0.39 -0.18 0.87 -0.57 0.00 0.00 179.45 179.97 1zgg h LYS 147 N 0.18 -0.47 -2.23 3.15 1.57 -0.47 -3.49 116.57 114.82 1zgg h LYS 147 Ca 0.03 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1zgg h LYS 147 Cb 0.46 0.11 -0.17 0.00 0.08 0.00 0.00 32.23 32.70 1zgg h LYS 147 CO 0.03 -0.15 0.37 0.34 -0.57 0.00 0.00 179.45 179.46 1zgg s ASP 148 N -5.02 -0.48 -0.38 0.86 2.15 -0.11 -5.10 116.67 108.60 1zgg s ASP 148 Ca -0.13 0.25 -0.28 0.00 0.43 0.00 0.00 52.55 52.82 1zgg s ASP 148 Cb 0.02 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1zgg s ASP 148 CO 0.48 -0.64 1.82 -0.60 -0.17 0.00 0.00 175.17 176.06 1zgg s ARG 149 N -2.39 3.19 0.00 4.34 3.52 -1.26 -3.92 118.95 122.43 1zgg s ARG 149 Ca -0.01 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 1zgg s ARG 149 Cb -0.01 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 1zgg s ARG 149 CO -0.03 -2.04 0.48 0.54 -0.81 0.00 0.00 175.30 173.44