#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgg s ASP 2 N 0.00 1.07 -0.09 6.12 2.15 -1.26 -0.95 116.67 123.71 1zgg s ASP 2 Ca 0.00 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1zgg s ASP 2 Cb 0.00 -0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 42.22 1zgg s ASP 2 CO 0.00 -0.12 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.09 1zgg s ILE 3 N 1.37 2.84 -0.33 4.11 1.01 -0.56 -0.81 121.20 128.83 1zgg s ILE 3 Ca -0.04 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1zgg s ILE 3 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.23 1zgg s ILE 3 CO -0.02 0.56 0.11 -0.63 0.00 0.00 0.00 174.94 174.95 1zgg s ILE 4 N -0.11 3.93 0.16 2.92 1.01 -0.30 -0.88 121.20 127.93 1zgg s ILE 4 Ca -0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1zgg s ILE 4 Cb -0.14 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 1zgg s ILE 4 CO 0.04 -0.10 1.03 -0.36 0.00 0.00 0.00 174.94 175.54 1zgg s PHE 5 N 1.45 3.73 -0.08 3.97 0.08 -0.31 -0.54 117.98 126.28 1zgg s PHE 5 Ca 0.00 1.72 -0.04 0.00 0.12 0.00 0.00 56.93 58.73 1zgg s PHE 5 Cb -0.19 -3.15 0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1zgg s PHE 5 CO 0.03 -0.15 0.19 0.54 -0.10 0.00 0.00 175.22 175.73 1zgg s VAL 6 N -0.27 -0.05 0.10 -0.44 0.11 -0.51 -1.52 120.40 117.81 1zgg s VAL 6 Ca 0.47 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.63 1zgg s VAL 6 Cb -0.27 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1zgg s VAL 6 CO 0.33 0.07 0.14 0.00 -3.33 0.00 0.00 175.10 172.30 1zgg h THR 8 N 2.83 0.51 -0.15 0.00 1.35 -1.93 -0.72 112.91 114.80 1zgg h THR 8 Ca -0.34 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1zgg h THR 8 Cb 1.19 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1zgg h THR 8 CO 0.58 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1zgg n GLY 9 N -1.35 1.22 5.00 5.82 0.00 -1.26 -2.10 105.19 112.51 1zgg n GLY 9 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.36 0.00 0.31 1.61 5.15 -0.27 -4.50 115.26 118.92 1zgg n ASN 10 Ca 0.16 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.34 1zgg n ASN 10 Cb 0.59 0.00 0.99 0.00 -0.53 0.00 0.00 39.78 40.84 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 0.04 -0.67 -0.44 1.35 -1.88 -2.52 112.91 108.78 1zgg h THR 11 Ca 0.00 -0.23 0.07 0.00 -0.55 0.00 0.00 66.41 65.71 1zgg h THR 11 Cb 0.00 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.59 1zgg h THR 11 CO 0.00 0.01 0.45 0.00 -0.25 0.00 0.00 175.52 175.72 1zgg n ARG 13 N -4.48 0.00 -0.21 0.00 0.63 -1.21 -4.43 116.66 106.97 1zgg n ARG 13 Ca 0.10 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.05 1zgg n ARG 13 Cb 0.26 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.29 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 -0.01 0.87 6.15 0.02 -1.69 -0.36 113.55 118.53 1zgg h SER 14 Ca 0.00 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1zgg h SER 14 Cb 0.00 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1zgg h SER 14 CO 0.00 -0.00 -0.20 1.55 -1.14 0.00 0.00 176.83 177.03 1zgg h PRO 15 N 0.26 0.00 -0.29 3.45 0.13 -1.85 0.39 132.00 134.08 1zgg h PRO 15 Ca 0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.43 1zgg h PRO 15 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1zgg h PRO 15 CO -0.43 0.20 0.07 0.52 -0.23 0.00 0.00 178.00 178.14 1zgg h MET 16 N 0.00 0.47 -0.59 0.86 2.86 -1.43 -1.24 114.93 115.86 1zgg h MET 16 Ca -0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1zgg h MET 16 Cb 0.70 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1zgg h MET 16 CO 0.03 0.55 0.08 0.00 1.06 0.00 0.00 176.91 178.62 1zgg h ALA 17 N 0.90 1.02 -0.05 6.32 0.00 -0.55 -0.59 119.26 126.32 1zgg h ALA 17 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1zgg h ALA 17 Cb 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1zgg h ALA 17 CO 0.00 0.62 0.03 1.49 0.00 0.00 0.00 179.25 181.39 1zgg h GLU 18 N 0.91 0.07 -0.38 0.00 4.81 -0.87 0.12 114.58 119.23 1zgg h GLU 18 Ca 0.18 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1zgg h GLU 18 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1zgg h GLU 18 CO 0.01 0.06 -0.14 0.00 -0.73 0.00 0.00 179.01 178.21 1zgg h ALA 19 N 1.00 0.53 -0.28 2.92 0.00 -0.93 -0.05 119.26 122.46 1zgg h ALA 19 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1zgg h ALA 19 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1zgg h ALA 19 CO -0.00 0.44 0.10 -0.07 0.00 0.00 0.00 179.25 179.72 1zgg h LEU 20 N 0.57 0.39 -0.71 0.00 3.38 -1.06 -1.77 115.31 116.11 1zgg h LEU 20 Ca 0.09 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1zgg h LEU 20 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1zgg h LEU 20 CO 0.05 0.46 -0.53 0.15 0.09 0.00 0.00 178.44 178.66 1zgg h PHE 21 N 0.29 0.38 -0.36 1.13 3.57 -0.51 0.11 116.94 121.56 1zgg h PHE 21 Ca 0.09 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1zgg h PHE 21 Cb 0.20 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1zgg h PHE 21 CO -0.00 0.77 0.23 0.87 -2.23 0.00 0.00 178.31 177.96 1zgg h LYS 22 N 0.24 0.48 -0.57 1.11 1.57 -0.93 0.23 116.57 118.71 1zgg h LYS 22 Ca 0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1zgg h LYS 22 Cb 1.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1zgg h LYS 22 CO 0.09 0.34 0.17 0.77 -0.57 0.00 0.00 179.45 180.24 1zgg h SER 23 N 0.49 0.84 -0.42 0.86 0.02 -0.70 -1.38 113.55 113.27 1zgg h SER 23 Ca 0.13 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 1zgg h SER 23 Cb -0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1zgg h SER 23 CO -0.03 0.83 -0.27 0.40 -1.14 0.00 0.00 176.83 176.63 1zgg h ILE 24 N 0.81 1.27 -0.73 3.27 2.04 -0.59 -1.41 117.51 122.17 1zgg h ILE 24 Ca 0.18 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1zgg h ILE 24 Cb 0.30 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1zgg h ILE 24 CO -0.00 0.49 0.22 0.00 0.00 0.00 0.00 178.15 178.86 1zgg h ALA 25 N 0.88 0.95 -0.60 1.87 0.00 -0.33 0.98 119.26 123.02 1zgg h ALA 25 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 25 Cb 0.84 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1zgg h ALA 25 CO 0.07 0.64 0.26 1.49 0.00 0.00 0.00 179.25 181.71 1zgg h GLU 26 N 1.08 0.88 0.00 0.00 4.81 -1.02 0.17 114.58 120.50 1zgg h GLU 26 Ca 0.23 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1zgg h GLU 26 Cb 0.31 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1zgg h GLU 26 CO -0.01 0.74 -0.22 0.07 -0.73 0.00 0.00 179.01 178.86 1zgg h ARG 27 N 0.82 0.00 0.00 1.92 -0.00 -0.61 -2.90 114.38 113.61 1zgg h ARG 27 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 1zgg h ARG 27 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 1zgg h ARG 27 CO -0.02 0.22 -1.13 -1.91 -0.00 0.00 0.00 179.97 177.13 1zgg n GLU 28 N -3.73 0.44 -1.91 0.08 4.07 0.28 -4.97 120.64 114.90 1zgg n GLU 28 Ca -0.01 0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1zgg n GLU 28 Cb 0.33 -1.67 -0.02 0.00 -0.06 0.00 0.00 31.44 30.03 1zgg n GLU 28 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1zgg n GLY 29 N 1.29 0.38 3.76 8.31 0.00 0.48 -5.03 105.19 114.38 1zgg n GLY 29 Ca 0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.16 2.46 -0.30 0.99 1.43 -0.45 -5.03 118.68 114.62 1zgg s LEU 30 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1zgg s LEU 30 Cb 0.00 -3.93 0.09 0.00 0.03 0.00 0.00 46.19 42.38 1zgg s LEU 30 CO 0.00 -2.27 0.05 0.21 0.23 0.00 0.00 176.35 174.56 1zgg s ASN 31 N -3.68 4.17 0.22 2.29 2.47 -1.26 -4.78 114.94 114.37 1zgg s ASN 31 Ca 0.62 -1.66 -0.02 0.00 0.42 0.00 0.00 52.86 52.22 1zgg s ASN 31 Cb -0.16 -1.15 -0.03 0.00 -1.45 0.00 0.00 41.25 38.45 1zgg s ASN 31 CO 0.55 -0.36 0.20 0.68 -3.72 0.00 0.00 177.10 174.46 1zgg s VAL 32 N 1.36 0.00 0.12 -5.21 -7.23 -1.26 -4.60 120.40 103.58 1zgg s VAL 32 Ca 0.06 -1.90 0.10 0.00 -1.81 0.00 0.00 61.98 58.43 1zgg s VAL 32 Cb -0.18 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1zgg s VAL 32 CO -0.15 0.00 -0.23 0.21 -0.31 0.00 0.00 175.10 174.62 1zgg s ASN 33 N -3.16 3.54 0.00 4.85 2.47 -0.13 -5.00 114.94 117.51 1zgg s ASN 33 Ca 0.37 -0.67 0.02 0.00 0.42 0.00 0.00 52.86 53.00 1zgg s ASN 33 Cb 0.05 -0.35 -0.01 0.00 -1.45 0.00 0.00 41.25 39.49 1zgg s ASN 33 CO 0.13 0.18 -0.06 0.68 -3.72 0.00 0.00 177.10 174.31 1zgg s VAL 34 N -1.08 0.47 0.29 -5.21 -7.23 -1.26 -1.49 120.40 104.90 1zgg s VAL 34 Ca 0.15 -0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1zgg s VAL 34 Cb -0.10 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 1zgg s VAL 34 CO 0.07 0.06 0.35 0.00 -0.31 0.00 0.00 175.10 175.27 1zgg s ARG 35 N -0.34 1.66 0.03 4.82 1.70 -0.06 -4.94 118.95 121.83 1zgg s ARG 35 Ca 0.01 -1.72 -0.01 0.00 -0.47 0.00 0.00 55.73 53.53 1zgg s ARG 35 Cb -0.03 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1zgg s ARG 35 CO -0.00 -0.65 -0.01 -1.12 -1.08 0.00 0.00 175.30 172.44 1zgg s SER 36 N -3.22 0.31 0.34 -2.89 0.01 -1.26 -1.16 113.70 105.82 1zgg s SER 36 Ca 0.34 -0.67 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 1zgg s SER 36 Cb 0.02 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1zgg s SER 36 CO 0.19 -0.44 0.57 0.00 0.41 0.00 0.00 173.24 173.97 1zgg n ALA 37 N 0.96 -0.89 -3.08 1.44 0.00 -0.58 -4.59 120.51 113.77 1zgg n ALA 37 Ca -0.20 -1.33 -0.11 0.00 0.00 0.00 0.00 53.44 51.80 1zgg n ALA 37 Cb 0.58 1.07 -0.11 0.00 0.00 0.00 0.00 19.45 20.99 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 -2.93 0.03 0.58 0.00 0.00 -1.07 -3.19 107.32 100.73 1zgg s GLY 38 Ca 0.21 -0.06 0.32 0.00 0.00 0.00 0.00 44.72 45.19 1zgg s GLY 38 CO 0.15 -0.17 2.20 -0.39 0.00 0.00 0.00 173.10 174.89 1zgg h VAL 39 N 4.44 0.41 -0.32 1.40 -1.51 -1.67 0.46 116.25 119.45 1zgg h VAL 39 Ca -0.30 -0.22 -0.22 0.00 -1.23 0.00 0.00 66.70 64.73 1zgg h VAL 39 Cb 1.20 1.15 -0.35 0.00 -2.13 0.00 0.00 31.29 31.16 1zgg h VAL 39 CO 0.41 0.04 -0.94 2.22 -1.23 0.00 0.00 177.57 178.07 1zgg n PHE 40 N -3.58 0.54 -1.27 5.19 1.16 -1.10 -4.70 117.46 113.71 1zgg n PHE 40 Ca -0.02 -1.97 -0.30 0.00 -1.87 0.00 0.00 57.45 53.29 1zgg n PHE 40 Cb 0.15 0.13 0.21 0.00 -1.61 0.00 0.00 39.48 38.36 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 -2.84 1.02 -0.01 1.98 0.00 -0.89 -4.76 121.76 116.26 1zgg s ALA 41 Ca 0.24 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1zgg s ALA 41 Cb 0.34 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 1zgg s ALA 41 CO -0.06 -3.14 -0.10 -1.12 0.00 0.00 0.00 175.76 171.34 1zgg s SER 42 N -3.95 1.21 0.00 0.00 0.01 -1.26 -4.03 113.70 105.68 1zgg s SER 42 Ca 0.69 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1zgg s SER 42 Cb -0.11 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1zgg s SER 42 CO 0.56 0.12 0.04 -2.65 0.41 0.00 0.00 173.24 171.72 1zgg n PRO 43 N 2.88 0.00 0.00 12.44 -0.02 -1.26 -2.39 135.00 146.66 1zgg n PRO 43 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1zgg n PRO 43 Cb 0.56 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.48 0.00 -4.73 2.55 5.15 -1.26 -4.69 115.26 111.80 1zgg n ASN 44 Ca 0.00 -1.00 -0.41 0.00 -0.60 0.00 0.00 54.58 52.57 1zgg n ASN 44 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.00 2.91 -0.19 8.20 0.00 -1.00 -4.89 107.32 112.34 1zgg s GLY 45 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 44.72 45.38 1zgg s GLY 45 CO 0.00 1.57 0.16 1.25 0.00 0.00 0.00 173.10 176.08 1zgg s LYS 46 N -0.19 0.13 0.45 2.90 2.20 -1.26 -0.24 119.74 123.73 1zgg s LYS 46 Ca 0.48 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1zgg s LYS 46 Cb -0.27 -1.51 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1zgg s LYS 46 CO 0.32 -0.68 0.00 0.00 -0.36 0.00 0.00 175.35 174.64 1zgg n ALA 47 N 5.30 0.00 -2.12 3.13 0.00 -1.05 -4.87 120.51 120.90 1zgg n ALA 47 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1zgg n ALA 47 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 0.36 0.55 0.00 -4.23 -1.26 -4.85 115.64 106.21 1zgg s THR 48 Ca 0.00 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 58.93 1zgg s THR 48 Cb 0.00 -1.63 0.28 0.00 1.34 0.00 0.00 72.50 72.48 1zgg s THR 48 CO 0.00 -0.90 1.83 -0.65 -0.54 0.00 0.00 174.62 174.36 1zgg h PRO 49 N 3.06 0.00 0.00 3.99 0.11 -2.00 -2.68 132.00 134.47 1zgg h PRO 49 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1zgg h PRO 49 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1zgg h PRO 49 CO 0.65 0.00 -1.04 0.72 -0.21 0.00 0.00 178.00 178.12 1zgg n HIS 50 N -2.75 0.00 -0.08 0.65 8.25 -1.26 -4.18 115.22 115.85 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 0.36 -0.03 -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 0.02 0.36 -0.79 -1.41 0.00 -1.94 0.11 119.26 115.62 1zgg h ALA 51 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1zgg h ALA 51 Cb 1.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1zgg h ALA 51 CO 0.00 -0.19 0.31 -0.24 0.00 0.00 0.00 179.25 179.12 1zgg h VAL 52 N 0.36 1.26 -0.18 0.00 3.04 -1.74 -1.37 116.25 117.63 1zgg h VAL 52 Ca 0.11 -0.84 -0.15 0.00 -1.01 0.00 0.00 66.70 64.81 1zgg h VAL 52 Cb -0.02 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 29.59 1zgg h VAL 52 CO -0.04 0.34 -0.53 -0.08 -1.01 0.00 0.00 177.57 176.25 1zgg h GLU 53 N 1.15 0.53 -0.47 4.17 4.81 -1.66 0.07 114.58 123.17 1zgg h GLU 53 Ca 0.26 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1zgg h GLU 53 Cb 0.23 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1zgg h GLU 53 CO -0.02 0.92 -0.15 0.00 -0.73 0.00 0.00 179.01 179.04 1zgg h ALA 54 N 1.01 0.85 0.00 2.92 0.00 -0.35 0.79 119.26 124.48 1zgg h ALA 54 Ca 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1zgg h ALA 54 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1zgg h ALA 54 CO 0.10 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.63 1zgg h LEU 55 N 0.80 0.00 -0.58 0.00 -0.00 -1.17 -1.05 115.31 113.31 1zgg h LEU 55 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.87 1zgg h LEU 55 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1zgg h LEU 55 CO 0.05 0.25 -0.32 0.15 -0.00 0.00 0.00 178.44 178.56 1zgg h PHE 56 N 0.00 0.91 -0.54 1.13 3.57 -0.53 0.81 116.94 122.29 1zgg h PHE 56 Ca -0.01 -0.24 -0.08 0.00 3.53 0.00 0.00 57.97 61.17 1zgg h PHE 56 Cb 1.19 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1zgg h PHE 56 CO 0.00 1.00 0.01 1.49 -2.23 0.00 0.00 178.31 178.57 1zgg h GLU 57 N 0.65 0.92 0.00 1.11 4.57 -0.74 -0.46 114.58 120.63 1zgg h GLU 57 Ca 0.07 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1zgg h GLU 57 Cb 0.86 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1zgg h GLU 57 CO 0.08 0.91 0.00 1.17 -1.18 0.00 0.00 179.01 179.99 1zgg n LYS 58 N -4.20 0.11 -3.01 1.92 3.00 -0.41 -4.90 118.16 110.68 1zgg n LYS 58 Ca 0.03 0.49 -0.12 0.00 -0.00 0.00 0.00 58.31 58.71 1zgg n LYS 58 Cb 0.32 -1.78 0.06 0.00 0.00 0.00 0.00 35.03 33.63 1zgg n LYS 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1zgg n HIS 59 N -2.01 -1.63 0.00 5.64 -0.00 -0.18 -4.96 115.22 112.07 1zgg n HIS 59 Ca 0.01 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.41 1zgg n HIS 59 Cb 0.11 -4.19 0.00 0.00 -0.00 0.00 0.00 29.99 25.91 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 -3.22 0.00 -3.35 3.57 5.41 0.19 -5.02 119.36 116.94 1zgg n ILE 60 Ca -0.19 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.45 1zgg n ILE 60 Cb 0.62 -0.20 0.01 0.00 -0.71 0.00 0.00 39.64 39.36 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 -1.49 -2.60 -1.61 -1.39 0.00 -1.10 -4.92 120.51 107.40 1zgg n ALA 61 Ca 0.00 -0.10 -0.47 0.00 0.00 0.00 0.00 53.44 52.87 1zgg n ALA 61 Cb 0.21 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.34 2.13 -3.41 0.00 0.00 -1.26 -4.98 117.00 107.13 1zgg n LEU 62 Ca -0.11 1.15 -0.02 0.00 0.00 0.00 0.00 56.01 57.03 1zgg n LEU 62 Cb 0.57 -1.30 -0.05 0.00 0.00 0.00 0.00 43.42 42.64 1zgg n LEU 62 CO 0.58 -1.04 0.11 0.21 0.00 0.00 0.00 177.39 177.25 1zgg s ASN 63 N -0.02 -0.75 -0.22 1.96 3.84 -1.26 -4.90 114.94 113.58 1zgg s ASN 63 Ca 0.68 0.92 -0.09 0.00 0.21 0.00 0.00 52.86 54.58 1zgg s ASN 63 Cb -0.75 1.81 0.09 0.00 -0.55 0.00 0.00 41.25 41.85 1zgg s ASN 63 CO 0.53 -0.25 0.49 -2.28 -2.79 0.00 0.00 177.10 172.79 1zgg s HIS 64 N 2.75 -0.87 -0.15 0.43 2.46 -1.26 -5.08 115.29 113.57 1zgg s HIS 64 Ca 0.09 1.67 -0.11 0.00 0.47 0.00 0.00 55.06 57.18 1zgg s HIS 64 Cb -0.14 0.42 -0.05 0.00 -0.13 0.00 0.00 32.58 32.68 1zgg s HIS 64 CO -0.18 -0.48 0.20 0.08 -2.47 0.00 0.00 174.74 171.89 1zgg s VAL 65 N 2.22 5.37 1.06 0.89 1.01 -1.26 -2.53 120.40 127.15 1zgg s VAL 65 Ca -0.06 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1zgg s VAL 65 Cb -0.10 -3.52 0.22 0.00 0.00 0.00 0.00 36.38 32.97 1zgg s VAL 65 CO -0.15 0.48 1.13 -0.44 0.00 0.00 0.00 175.10 176.12 1zgg s SER 66 N -0.05 2.19 0.05 3.32 0.01 0.67 -4.99 113.70 114.91 1zgg s SER 66 Ca 0.14 0.83 -0.27 0.00 1.31 0.00 0.00 55.95 57.96 1zgg s SER 66 Cb -0.12 -1.26 0.07 0.00 0.21 0.00 0.00 66.02 64.92 1zgg s SER 66 CO 0.02 -3.36 0.67 -0.44 0.41 0.00 0.00 173.24 170.55 1zgg s SER 67 N -3.89 -0.58 0.57 2.44 0.01 -1.26 -4.10 113.70 106.89 1zgg s SER 67 Ca 0.68 0.29 -0.19 0.00 1.31 0.00 0.00 55.95 58.04 1zgg s SER 67 Cb -0.13 0.55 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 1zgg s SER 67 CO 0.56 -0.78 1.15 -2.16 0.41 0.00 0.00 173.24 172.42 1zgg s PRO 68 N -2.62 3.20 -0.34 12.44 0.04 -1.26 -2.60 135.00 143.86 1zgg s PRO 68 Ca -0.03 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1zgg s PRO 68 Cb -0.01 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1zgg s PRO 68 CO -0.03 -0.99 1.10 -1.17 0.04 0.00 0.00 177.00 175.94 1zgg s LEU 69 N -3.95 3.89 0.24 -3.56 2.96 0.13 -4.70 118.68 113.69 1zgg s LEU 69 Ca 0.74 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 1zgg s LEU 69 Cb -0.26 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 1zgg s LEU 69 CO 0.30 -0.94 -0.01 0.42 -1.32 0.00 0.00 176.35 174.79 1zgg s THR 70 N 3.80 1.16 0.32 3.68 -4.23 -1.26 -4.82 115.64 114.29 1zgg s THR 70 Ca 0.46 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1zgg s THR 70 Cb -0.12 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.44 1zgg s THR 70 CO 0.18 -0.32 1.77 -0.08 -0.54 0.00 0.00 174.62 175.63 1zgg h GLU 71 N 2.43 0.31 -0.59 3.99 4.81 -1.98 -1.37 114.58 122.17 1zgg h GLU 71 Ca -0.39 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1zgg h GLU 71 Cb 1.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1zgg h GLU 71 CO 0.65 0.57 0.03 1.05 -0.73 0.00 0.00 179.01 180.58 1zgg h GLU 72 N 0.27 1.01 -0.27 1.92 4.11 -1.98 0.60 114.58 120.24 1zgg h GLU 72 Ca 0.04 -0.29 -0.05 0.00 0.07 0.00 0.00 59.36 59.13 1zgg h GLU 72 Cb 0.65 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1zgg h GLU 72 CO 0.05 0.97 -0.01 1.25 0.07 0.00 0.00 179.01 181.33 1zgg h LEU 73 N 0.93 0.49 -0.71 3.06 5.85 -1.77 -0.11 115.31 123.05 1zgg h LEU 73 Ca 0.17 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1zgg h LEU 73 Cb 0.50 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1zgg h LEU 73 CO 0.02 0.69 0.38 -0.03 -0.34 0.00 0.00 178.44 179.17 1zgg h MET 74 N 0.27 0.65 0.00 1.25 4.05 -0.89 -0.75 114.93 119.52 1zgg h MET 74 Ca 0.08 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1zgg h MET 74 Cb 0.45 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1zgg h MET 74 CO 0.02 0.43 -0.49 0.93 0.23 0.00 0.00 176.91 178.03 1zgg h GLU 75 N 0.67 0.00 -0.39 0.39 4.39 -0.78 -3.03 114.58 115.83 1zgg h GLU 75 Ca 0.33 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.92 1zgg h GLU 75 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1zgg h GLU 75 CO -0.22 0.32 -0.22 1.03 -1.16 0.00 0.00 179.01 178.76 1zgg h SER 76 N 0.00 0.79 -3.85 1.42 0.87 -0.43 -3.46 113.55 108.90 1zgg h SER 76 Ca -0.02 -0.29 -0.46 0.00 -1.23 0.00 0.00 61.79 59.80 1zgg h SER 76 Cb 1.28 -0.22 0.11 0.00 -0.44 0.00 0.00 62.40 63.13 1zgg h SER 76 CO 0.04 0.99 0.31 0.00 -0.53 0.00 0.00 176.83 177.64 1zgg s ALA 77 N -4.60 2.86 0.00 6.23 0.00 -0.34 -4.96 121.76 120.95 1zgg s ALA 77 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1zgg s ALA 77 Cb 0.13 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1zgg s ALA 77 CO 0.84 -1.71 0.00 -3.47 0.00 0.00 0.00 175.76 171.42 1zgg n ASP 78 N -3.23 0.95 -3.89 0.00 2.03 -0.20 -4.95 116.55 107.27 1zgg n ASP 78 Ca 0.11 -0.16 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 1zgg n ASP 78 Cb 0.60 0.51 -0.11 0.00 -0.72 0.00 0.00 41.12 41.40 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 -1.20 1.73 -0.05 -2.67 2.96 0.01 -4.88 118.68 114.58 1zgg s LEU 79 Ca 0.00 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1zgg s LEU 79 Cb 0.00 0.44 0.01 0.00 0.50 0.00 0.00 46.19 47.14 1zgg s LEU 79 CO 0.00 -0.25 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.97 1zgg s VAL 80 N -0.95 1.10 -0.37 1.68 1.01 -0.16 -1.15 120.40 121.56 1zgg s VAL 80 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1zgg s VAL 80 Cb -0.06 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.45 1zgg s VAL 80 CO 0.01 0.34 0.16 -0.22 0.00 0.00 0.00 175.10 175.38 1zgg s LEU 81 N 0.41 2.41 -0.01 3.92 0.20 0.30 -1.23 118.68 124.68 1zgg s LEU 81 Ca -0.09 -2.09 -0.15 0.00 0.69 0.00 0.00 54.13 52.49 1zgg s LEU 81 Cb -0.13 -0.92 -0.06 0.00 -0.43 0.00 0.00 46.19 44.65 1zgg s LEU 81 CO 0.02 -0.35 0.40 0.00 -0.29 0.00 0.00 176.35 176.14 1zgg s ALA 82 N 1.05 3.70 -0.08 5.97 0.00 0.02 -1.43 121.76 130.98 1zgg s ALA 82 Ca 0.14 -0.23 0.30 0.00 0.00 0.00 0.00 51.96 52.17 1zgg s ALA 82 Cb -0.21 -2.38 1.10 0.00 0.00 0.00 0.00 23.12 21.64 1zgg s ALA 82 CO -0.12 0.47 1.88 0.52 0.00 0.00 0.00 175.76 178.50 1zgg h MET 83 N 4.80 0.00 -4.00 0.00 0.00 -1.42 0.11 114.93 114.43 1zgg h MET 83 Ca -0.51 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.08 1zgg h MET 83 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.67 1zgg h MET 83 CO 0.62 0.00 -0.52 0.95 0.00 0.00 0.00 176.91 177.96 1zgg s THR 84 N -3.53 0.18 0.37 2.22 -4.23 -1.26 -4.43 115.64 104.96 1zgg s THR 84 Ca 0.03 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1zgg s THR 84 Cb 0.08 -1.37 0.21 0.00 1.34 0.00 0.00 72.50 72.76 1zgg s THR 84 CO 0.56 -0.80 1.96 1.12 -0.54 0.00 0.00 174.62 176.93 1zgg h HIS 85 N 3.03 0.51 -0.38 3.99 2.07 -1.88 -1.40 115.15 121.08 1zgg h HIS 85 Ca -0.34 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1zgg h HIS 85 Cb 1.17 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 30.97 1zgg h HIS 85 CO 0.48 0.43 0.24 0.37 -3.07 0.00 0.00 177.93 176.39 1zgg h GLN 86 N 0.51 0.51 -0.54 5.12 4.15 -1.98 0.66 115.11 123.53 1zgg h GLN 86 Ca 0.12 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1zgg h GLN 86 Cb 0.15 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1zgg h GLN 86 CO -0.01 0.36 0.33 0.45 -1.93 0.00 0.00 178.83 178.03 1zgg h HIS 87 N 0.51 0.71 -0.81 3.99 3.86 -1.84 -0.39 115.15 121.19 1zgg h HIS 87 Ca 0.14 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1zgg h HIS 87 Cb -0.03 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.15 1zgg h HIS 87 CO -0.04 0.49 0.49 -0.22 0.86 0.00 0.00 177.93 179.51 1zgg h LYS 88 N 0.73 0.89 -0.28 2.45 3.64 -0.62 -0.58 116.57 122.80 1zgg h LYS 88 Ca 0.20 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1zgg h LYS 88 Cb -0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1zgg h LYS 88 CO -0.04 0.59 -0.36 1.96 -2.27 0.00 0.00 179.45 179.33 1zgg h GLN 89 N 0.92 0.62 -0.22 1.90 4.20 -0.41 -0.91 115.11 121.20 1zgg h GLN 89 Ca 0.35 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1zgg h GLN 89 Cb 0.14 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1zgg h GLN 89 CO -0.16 0.89 0.10 0.82 -0.67 0.00 0.00 178.83 179.80 1zgg h ILE 90 N 0.52 1.15 -0.23 2.54 2.04 -0.32 -1.42 117.51 121.79 1zgg h ILE 90 Ca 0.05 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1zgg h ILE 90 Cb 0.86 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1zgg h ILE 90 CO 0.07 0.15 -0.09 0.40 0.00 0.00 0.00 178.15 178.69 1zgg h ILE 91 N 0.22 0.71 0.00 -0.67 2.04 -0.93 0.13 117.51 119.01 1zgg h ILE 91 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1zgg h ILE 91 Cb 0.15 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1zgg h ILE 91 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 1zgg n ALA 92 N -2.51 2.16 -0.00 1.87 0.00 -0.36 -1.69 120.51 119.98 1zgg n ALA 92 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 1zgg n ALA 92 Cb 0.17 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1zgg n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zgg n SER 93 N -0.92 4.93 0.10 0.00 7.64 -0.51 -2.80 113.62 122.06 1zgg n SER 93 Ca 0.11 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 1zgg n SER 93 Cb 0.05 0.64 -0.12 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.31 -0.01 1.43 3.07 -0.46 -3.26 115.11 116.18 1zgg h GLN 94 Ca -0.01 -0.48 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1zgg h GLN 94 Cb 0.75 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.48 1zgg h GLN 94 CO 0.00 1.20 -0.38 1.19 0.09 0.00 0.00 178.83 180.93 1zgg n PHE 95 N -3.59 0.00 -0.24 0.06 3.72 -0.68 -5.08 117.46 111.65 1zgg n PHE 95 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1zgg n PHE 95 Cb 0.99 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 -2.37 1.98 1.37 0.00 -1.23 -4.65 105.19 101.67 1zgg n GLY 96 Ca 0.11 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.88 1.26 0.00 1.61 3.00 -1.12 -3.90 116.66 116.63 1zgg n ARG 97 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.85 57.33 1zgg n ARG 97 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 30.81 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1zgg n TYR 98 N 2.33 0.00 0.18 -0.14 4.02 -1.26 -4.34 117.16 117.95 1zgg n TYR 98 Ca 0.22 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.30 1zgg n TYR 98 Cb 0.59 -0.02 0.81 0.00 -0.02 0.00 0.00 39.34 40.70 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 0.47 0.00 -0.71 -0.72 2.43 -1.89 -2.07 114.38 111.89 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 0.11 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1zgg h ARG 99 CO 0.00 0.00 0.48 0.22 -1.51 0.00 0.00 179.97 179.16 1zgg h ASP 100 N 0.00 0.36 0.82 -3.80 3.58 -1.99 -0.17 116.42 115.21 1zgg h ASP 100 Ca 0.11 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1zgg h ASP 100 Cb 0.70 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1zgg h ASP 100 CO -0.00 0.19 0.00 1.17 -2.88 0.00 0.00 179.24 177.72 1zgg n LYS 101 N -4.47 0.18 -4.57 0.28 4.81 -0.78 -4.85 118.16 108.76 1zgg n LYS 101 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.23 1zgg n LYS 101 Cb 0.50 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1zgg s VAL 102 N -2.82 3.80 0.05 3.15 1.01 -0.08 -0.99 120.40 124.53 1zgg s VAL 102 Ca 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1zgg s VAL 102 Cb 0.19 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1zgg s VAL 102 CO 0.50 0.58 -0.06 -0.36 0.00 0.00 0.00 175.10 175.76 1zgg s PHE 103 N -0.84 0.60 0.56 5.22 0.40 -0.37 -4.97 117.98 118.59 1zgg s PHE 103 Ca 0.13 -0.64 -0.13 0.00 -0.60 0.00 0.00 56.93 55.69 1zgg s PHE 103 Cb -0.11 -0.37 -0.06 0.00 0.51 0.00 0.00 43.02 42.99 1zgg s PHE 103 CO 0.02 -0.15 0.99 0.99 0.70 0.00 0.00 175.22 177.78 1zgg s THR 104 N -2.06 4.63 0.11 0.64 2.01 -1.26 -0.80 115.64 118.91 1zgg s THR 104 Ca -0.06 1.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.74 1zgg s THR 104 Cb -0.05 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1zgg s THR 104 CO -0.02 -0.91 1.71 0.25 -0.69 0.00 0.00 174.62 174.97 1zgg h LEU 105 N 0.32 -0.15 -0.19 4.42 5.85 -0.88 -1.03 115.31 123.64 1zgg h LEU 105 Ca -0.45 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1zgg h LEU 105 Cb 1.19 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1zgg h LEU 105 CO 0.62 -0.07 -0.04 0.11 -0.34 0.00 0.00 178.44 178.72 1zgg h LYS 106 N -0.05 0.36 -0.91 1.25 1.79 -1.78 -3.33 116.57 113.90 1zgg h LYS 106 Ca 0.04 -0.14 0.18 0.00 -2.18 0.00 0.00 60.65 58.56 1zgg h LYS 106 Cb 0.12 -0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.64 1zgg h LYS 106 CO -0.10 0.61 0.48 1.49 -1.08 0.00 0.00 179.45 180.85 1zgg h GLU 107 N 0.09 0.58 0.00 3.15 4.81 -0.75 0.24 114.58 122.70 1zgg h GLU 107 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1zgg h GLU 107 Cb 0.47 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1zgg h GLU 107 CO 0.02 0.39 0.00 -0.92 -0.73 0.00 0.00 179.01 177.76 1zgg h TYR 108 N 0.60 0.00 0.00 0.92 3.20 -1.34 -1.56 116.97 118.79 1zgg h TYR 108 Ca 0.53 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.40 1zgg h TYR 108 Cb 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1zgg h TYR 108 CO -0.08 0.00 -0.84 0.28 -1.64 0.00 0.00 178.16 175.88 1zgg n VAL 109 N -2.29 0.00 0.07 1.81 0.31 0.39 -4.78 118.33 113.84 1zgg n VAL 109 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1zgg n VAL 109 Cb 0.09 -1.15 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 1zgg n VAL 109 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1zgg h THR 110 N 0.00 1.05 0.00 2.52 1.35 -0.77 -3.48 112.91 113.58 1zgg h THR 110 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1zgg h THR 110 Cb 0.84 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1zgg h THR 110 CO 0.00 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1zgg n GLY 111 N 1.35 0.74 2.94 5.82 0.00 -0.59 -5.01 105.19 110.44 1zgg n GLY 111 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.35 0.18 0.31 1.61 0.01 -1.25 -4.95 113.70 107.26 1zgg s SER 112 Ca 0.00 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 1zgg s SER 112 Cb 0.00 0.05 -0.13 0.00 0.21 0.00 0.00 66.02 66.16 1zgg s SER 112 CO 0.00 -0.17 1.30 1.41 0.41 0.00 0.00 173.24 176.19 1zgg n HIS 113 N 2.20 2.17 0.00 2.43 -0.00 -1.26 -2.09 115.22 118.67 1zgg n HIS 113 Ca -0.19 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1zgg n HIS 113 Cb 0.57 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 1zgg n HIS 113 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1zgg n GLY 114 N 1.16 0.22 3.28 -1.41 0.00 -1.26 -4.85 105.19 102.33 1zgg n GLY 114 Ca 0.07 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 1zgg n GLY 114 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zgg s ASP 115 N 0.00 1.59 0.39 1.61 -4.77 -1.26 -2.72 116.67 111.51 1zgg s ASP 115 Ca 0.00 -1.73 0.08 0.00 -3.30 0.00 0.00 52.55 47.59 1zgg s ASP 115 Cb 0.00 0.54 -0.05 0.00 -1.09 0.00 0.00 42.92 42.33 1zgg s ASP 115 CO 0.00 -1.05 0.19 -0.69 0.70 0.00 0.00 175.17 174.32 1zgg s VAL 116 N -3.49 2.57 0.00 2.11 1.01 -1.26 -4.80 120.40 116.54 1zgg s VAL 116 Ca 0.41 -1.66 -0.38 0.00 0.00 0.00 0.00 61.98 60.34 1zgg s VAL 116 Cb 0.03 -2.98 -0.17 0.00 0.00 0.00 0.00 36.38 33.25 1zgg s VAL 116 CO 0.27 -0.06 1.37 -0.11 0.00 0.00 0.00 175.10 176.57 1zgg n LEU 117 N -1.24 1.51 -4.41 3.92 0.00 -1.26 -4.95 117.00 110.56 1zgg n LEU 117 Ca -0.01 1.12 -0.44 0.00 0.00 0.00 0.00 56.01 56.68 1zgg n LEU 117 Cb 0.63 -1.13 -0.05 0.00 0.00 0.00 0.00 43.42 42.86 1zgg n LEU 117 CO 0.44 -1.07 0.38 -0.62 0.00 0.00 0.00 177.39 176.53 1zgg s ASP 118 N 0.96 6.20 0.00 1.96 2.15 -1.26 -4.87 116.67 121.81 1zgg s ASP 118 Ca 0.88 -1.14 0.30 0.00 0.43 0.00 0.00 52.55 53.01 1zgg s ASP 118 Cb -1.03 -2.30 1.39 0.00 -0.30 0.00 0.00 42.92 40.68 1zgg s ASP 118 CO 0.52 -1.01 1.96 -0.81 -0.17 0.00 0.00 175.17 175.66 1zgg n PRO 119 N 6.30 0.73 -1.64 4.34 -0.04 -1.26 -4.93 135.00 138.50 1zgg n PRO 119 Ca -0.08 -0.18 -0.46 0.00 -0.04 0.00 0.00 63.50 62.74 1zgg n PRO 119 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.97 2.27 -0.14 0.54 7.35 -1.26 -0.40 117.46 124.83 1zgg n PHE 120 Ca 0.16 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1zgg n PHE 120 Cb 0.25 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.36 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 4.88 0.63 3.95 7.13 0.00 -1.26 -5.08 105.19 115.44 1zgg n GLY 121 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.50 1.74 0.86 -0.02 0.00 0.46 -5.09 107.32 103.77 1zgg s GLY 122 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 1zgg s GLY 122 CO 0.00 -0.67 1.11 -0.56 0.00 0.00 0.00 173.10 172.99 1zgg s SER 123 N -4.74 3.92 0.43 1.64 0.01 -1.26 -4.90 113.70 108.81 1zgg s SER 123 Ca 0.68 1.17 0.18 0.00 1.31 0.00 0.00 55.95 59.29 1zgg s SER 123 Cb -0.06 -1.83 1.11 0.00 0.21 0.00 0.00 66.02 65.45 1zgg s SER 123 CO 0.48 -2.31 1.88 -0.29 0.41 0.00 0.00 173.24 173.41 1zgg h ILE 124 N -1.33 0.70 -0.66 1.44 6.09 -1.97 0.16 117.51 121.94 1zgg h ILE 124 Ca -0.49 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1zgg h ILE 124 Cb 1.30 0.31 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 1zgg h ILE 124 CO 0.60 0.07 0.39 -0.78 -3.07 0.00 0.00 178.15 175.36 1zgg h ASP 125 N 0.36 0.79 -0.41 2.19 3.58 -1.97 0.79 116.42 121.75 1zgg h ASP 125 Ca 0.43 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.69 1zgg h ASP 125 Cb 1.11 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1zgg h ASP 125 CO -0.14 0.61 -0.33 0.40 -2.88 0.00 0.00 179.24 176.90 1zgg h ILE 126 N 0.91 1.27 -0.53 2.25 1.08 -1.31 0.88 117.51 122.06 1zgg h ILE 126 Ca 0.24 -1.50 -0.10 0.00 -0.39 0.00 0.00 64.86 63.11 1zgg h ILE 126 Cb -0.03 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1zgg h ILE 126 CO -0.04 0.51 -0.05 1.88 -0.69 0.00 0.00 178.15 179.75 1zgg h TYR 127 N 0.78 1.02 -0.76 1.37 0.05 -1.32 -0.85 116.97 117.27 1zgg h TYR 127 Ca 0.08 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 1zgg h TYR 127 Cb 0.92 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1zgg h TYR 127 CO 0.06 0.94 0.34 -0.22 -1.05 0.00 0.00 178.16 178.23 1zgg h LYS 128 N 0.85 1.11 -0.46 4.88 3.11 -0.44 0.35 116.57 125.97 1zgg h LYS 128 Ca 0.15 -0.18 -0.05 0.00 -2.81 0.00 0.00 60.65 57.76 1zgg h LYS 128 Cb 0.58 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 1zgg h LYS 128 CO 0.03 0.88 0.09 1.96 -2.81 0.00 0.00 179.45 179.61 1zgg h GLN 129 N 1.08 0.75 -0.14 1.90 4.20 -0.62 -2.72 115.11 119.56 1zgg h GLN 129 Ca 0.26 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1zgg h GLN 129 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1zgg h GLN 129 CO -0.03 0.76 0.09 1.15 -0.67 0.00 0.00 178.83 180.13 1zgg h THR 130 N 0.62 1.03 0.00 -0.54 2.02 -0.74 -2.64 112.91 112.66 1zgg h THR 130 Ca 0.14 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1zgg h THR 130 Cb 0.35 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1zgg h THR 130 CO 0.01 0.03 -0.32 0.08 0.37 0.00 0.00 175.52 175.68 1zgg h ARG 131 N 0.18 0.00 -0.26 6.66 0.11 -0.84 0.12 114.38 120.35 1zgg h ARG 131 Ca 0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.09 1zgg h ARG 131 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1zgg h ARG 131 CO -0.02 0.32 0.00 0.22 0.10 0.00 0.00 179.97 180.60 1zgg h ASP 132 N 0.00 0.45 -0.44 0.08 3.58 -1.24 0.29 116.42 119.14 1zgg h ASP 132 Ca -0.00 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.08 1zgg h ASP 132 Cb 0.64 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1zgg h ASP 132 CO 0.04 0.65 0.03 -0.08 -2.88 0.00 0.00 179.24 177.00 1zgg h GLU 133 N 0.25 0.76 -0.79 0.28 4.81 -1.04 -2.45 114.58 116.39 1zgg h GLU 133 Ca 0.08 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1zgg h GLU 133 Cb 0.41 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1zgg h GLU 133 CO 0.01 0.81 0.34 1.25 -0.73 0.00 0.00 179.01 180.69 1zgg h LEU 134 N 0.61 1.07 -0.51 1.64 5.85 -0.74 -1.33 115.31 121.90 1zgg h LEU 134 Ca 0.13 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1zgg h LEU 134 Cb 0.45 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1zgg h LEU 134 CO 0.02 0.93 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.95 1zgg h GLU 135 N 1.13 0.91 -0.51 1.25 4.81 -0.84 0.66 114.58 121.99 1zgg h GLU 135 Ca 0.27 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1zgg h GLU 135 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1zgg h GLU 135 CO -0.03 0.94 0.23 1.49 -0.73 0.00 0.00 179.01 180.92 1zgg h GLU 136 N 0.77 0.74 -0.39 1.92 4.57 -0.98 0.35 114.58 121.56 1zgg h GLU 136 Ca 0.14 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1zgg h GLU 136 Cb 0.54 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1zgg h GLU 136 CO 0.03 0.63 0.02 1.25 -1.18 0.00 0.00 179.01 179.76 1zgg h LEU 137 N 0.68 0.67 -1.04 1.64 6.46 -1.15 -3.05 115.31 119.52 1zgg h LEU 137 Ca 0.17 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1zgg h LEU 137 Cb 0.15 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1zgg h LEU 137 CO -0.02 0.80 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.24 1zgg h LEU 138 N 0.51 0.00 -0.38 2.25 3.38 -0.35 0.12 115.31 120.85 1zgg h LEU 138 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1zgg h LEU 138 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1zgg h LEU 138 CO 0.02 0.29 0.06 -0.09 0.09 0.00 0.00 178.44 178.81 1zgg h ARG 139 N 0.00 0.63 -0.24 1.13 2.43 -0.92 -1.02 114.38 116.38 1zgg h ARG 139 Ca -0.00 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1zgg h ARG 139 Cb 0.81 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1zgg h ARG 139 CO 0.04 0.68 -0.07 1.96 -1.51 0.00 0.00 179.97 181.07 1zgg h GLN 140 N 0.47 0.38 -0.60 0.20 4.20 -1.18 -1.49 115.11 117.09 1zgg h GLN 140 Ca 0.12 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1zgg h GLN 140 Cb 0.36 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1zgg h GLN 140 CO 0.01 0.47 0.22 1.25 -0.67 0.00 0.00 178.83 180.10 1zgg h LEU 141 N 0.36 0.81 -0.44 1.46 5.85 -0.41 0.13 115.31 123.08 1zgg h LEU 141 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1zgg h LEU 141 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1zgg h LEU 141 CO 0.02 0.74 0.09 0.00 -0.34 0.00 0.00 178.44 178.94 1zgg h ALA 142 N 1.37 0.58 -0.64 1.25 0.00 -0.52 -0.82 119.26 120.49 1zgg h ALA 142 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1zgg h ALA 142 Cb 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1zgg h ALA 142 CO -0.01 0.29 0.40 0.87 0.00 0.00 0.00 179.25 180.80 1zgg h LYS 143 N 0.59 0.77 0.15 0.00 1.57 -0.58 0.57 116.57 119.63 1zgg h LYS 143 Ca 0.14 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1zgg h LYS 143 Cb 0.36 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1zgg h LYS 143 CO 0.01 0.51 -0.24 1.96 -0.57 0.00 0.00 179.45 181.12 1zgg h GLN 144 N 0.80 -0.44 -0.13 3.15 1.08 -0.56 -2.95 115.11 116.06 1zgg h GLN 144 Ca 0.25 0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.35 1zgg h GLN 144 Cb -0.01 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1zgg h GLN 144 CO -0.09 -0.29 -0.49 -0.07 -0.95 0.00 0.00 178.83 176.94 1zgg h LEU 145 N -0.46 0.36 -1.38 1.46 3.38 -0.73 -2.84 115.31 115.10 1zgg h LEU 145 Ca 0.02 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1zgg h LEU 145 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1zgg h LEU 145 CO -0.11 0.79 -0.08 0.50 0.09 0.00 0.00 178.44 179.63 1zgg h LYS 146 N 0.26 0.32 0.65 1.13 3.64 -0.83 -2.82 116.57 118.92 1zgg h LYS 146 Ca 0.01 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1zgg h LYS 146 Cb 0.96 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1zgg h LYS 146 CO 0.08 0.41 -0.31 0.87 -2.27 0.00 0.00 179.45 178.23 1zgg h LYS 147 N 0.31 -0.84 -1.96 1.90 1.57 -1.33 -3.48 116.57 112.73 1zgg h LYS 147 Ca 0.07 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.11 1zgg h LYS 147 Cb 0.34 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.71 1zgg h LYS 147 CO 0.02 -0.52 0.63 0.34 -0.57 0.00 0.00 179.45 179.34 1zgg s ASP 148 N -4.54 -0.19 -0.08 0.86 2.15 -1.06 -5.10 116.67 108.71 1zgg s ASP 148 Ca -0.15 -0.17 -0.36 0.00 0.43 0.00 0.00 52.55 52.30 1zgg s ASP 148 Cb 0.02 0.32 -0.13 0.00 -0.30 0.00 0.00 42.92 42.83 1zgg s ASP 148 CO 0.49 -0.57 1.77 0.54 -0.17 0.00 0.00 175.17 177.23 1zgg n ARG 149 N -0.36 1.88 0.00 4.34 1.74 -1.26 -4.03 116.66 118.98 1zgg n ARG 149 Ca -0.06 0.69 0.04 0.00 -0.77 0.00 0.00 57.85 57.74 1zgg n ARG 149 Cb 0.61 -2.47 0.21 0.00 -1.02 0.00 0.00 32.46 29.79 1zgg n ARG 149 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65