#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3k n GLU 2 N 0.00 1.20 -0.09 -0.14 1.02 -1.26 -4.80 120.64 116.57 1z3k n GLU 2 Ca 0.00 -2.98 -0.10 0.00 -0.02 0.00 0.00 57.16 54.06 1z3k n GLU 2 Cb 0.00 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1z3k n GLU 2 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1z3k n TRP 3 N -0.70 0.00 -3.51 -0.32 8.01 -1.26 -4.88 117.44 114.79 1z3k n TRP 3 Ca 0.16 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.93 1z3k n TRP 3 Cb 0.81 -0.52 -0.08 0.00 -2.01 0.00 0.00 31.31 29.51 1z3k n TRP 3 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1z3k s TYR 4 N -2.86 3.36 -0.14 -5.99 -0.85 -1.26 -4.82 117.35 104.79 1z3k s TYR 4 Ca -0.29 -1.59 0.09 0.00 -0.52 0.00 0.00 57.07 54.76 1z3k s TYR 4 Cb 0.05 -3.38 -0.13 0.00 0.38 0.00 0.00 41.96 38.87 1z3k s TYR 4 CO 0.42 -0.94 0.26 0.98 -1.52 0.00 0.00 175.55 174.75 1z3k n TYR 5 N 5.00 0.00 0.00 -3.49 9.36 -1.26 -4.97 117.16 121.79 1z3k n TYR 5 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1z3k n TYR 5 Cb 0.41 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 1z3k n TYR 5 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1z3k n GLY 6 N 1.73 1.25 3.08 2.98 0.00 -1.26 -5.06 105.19 107.91 1z3k n GLY 6 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1z3k n GLY 6 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1z3k s ASN 7 N -0.30 -0.94 -0.46 1.61 0.01 -1.26 -3.38 114.94 110.22 1z3k s ASN 7 Ca 0.00 0.54 0.06 0.00 -0.71 0.00 0.00 52.86 52.75 1z3k s ASN 7 Cb 0.00 1.84 0.19 0.00 0.41 0.00 0.00 41.25 43.69 1z3k s ASN 7 CO 0.00 -0.28 0.57 1.33 -1.51 0.00 0.00 177.10 177.21 1z3k n VAL 8 N 5.41 -0.57 0.00 1.60 0.24 -1.26 -4.89 118.33 118.86 1z3k n VAL 8 Ca -0.01 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 59.97 1z3k n VAL 8 Cb 0.51 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1z3k n VAL 8 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1z3k n THR 9 N 2.63 0.00 0.00 3.34 -1.04 -1.26 -4.11 114.28 113.83 1z3k n THR 9 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1z3k n THR 9 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1z3k n THR 9 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1z3k n ARG 10 N -0.12 0.00 -0.06 -2.82 3.00 -1.26 -2.80 116.66 112.59 1z3k n ARG 10 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1z3k n ARG 10 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1z3k n ARG 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1z3k n HIS 11 N 0.00 0.00 -0.03 -0.14 -0.00 -1.26 -4.45 115.22 109.34 1z3k n HIS 11 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 1z3k n HIS 11 Cb 0.00 -0.44 -0.07 0.00 -0.00 0.00 0.00 29.99 29.48 1z3k n HIS 11 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1z3k h GLN 12 N -0.33 0.76 -0.94 -0.41 1.08 -1.84 -2.30 115.11 111.13 1z3k h GLN 12 Ca -0.30 -0.61 0.17 0.00 -1.45 0.00 0.00 58.65 56.46 1z3k h GLN 12 Cb 1.30 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 28.75 1z3k h GLN 12 CO -0.15 1.22 0.54 0.00 -0.95 0.00 0.00 178.83 179.48 1z3k h ALA 13 N 0.55 1.49 -0.09 3.87 0.00 -1.71 0.81 119.26 124.18 1z3k h ALA 13 Ca -0.04 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1z3k h ALA 13 Cb 1.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1z3k h ALA 13 CO 0.15 -0.04 -0.61 1.05 0.00 0.00 0.00 179.25 179.79 1z3k h GLU 14 N 0.72 0.31 0.00 0.00 4.11 -1.76 0.66 114.58 118.62 1z3k h GLU 14 Ca 0.52 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1z3k h GLU 14 Cb 0.76 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1z3k h GLU 14 CO -0.37 0.83 0.00 0.00 0.07 0.00 0.00 179.01 179.54 1z3k n ALA 16 N -1.66 1.83 -0.69 0.00 0.00 0.32 -4.61 120.51 115.69 1z3k n ALA 16 Ca 0.01 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.11 1z3k n ALA 16 Cb 0.10 0.19 0.23 0.00 0.00 0.00 0.00 19.45 19.98 1z3k n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1z3k n LEU 17 N -2.46 3.66 -0.18 0.00 4.77 0.22 -4.72 117.00 118.28 1z3k n LEU 17 Ca -0.13 -2.64 0.17 0.00 -0.03 0.00 0.00 56.01 53.39 1z3k n LEU 17 Cb 0.69 -0.44 0.32 0.00 -2.33 0.00 0.00 43.42 41.66 1z3k n LEU 17 CO 0.12 0.70 0.59 0.59 -1.33 0.00 0.00 177.39 178.06 1z3k n ASN 18 N -0.04 0.18 -0.57 -1.43 3.02 0.68 0.15 115.26 117.25 1z3k n ASN 18 Ca 0.18 0.95 0.45 0.00 -0.03 0.00 0.00 54.58 56.13 1z3k n ASN 18 Cb 0.74 -0.45 0.73 0.00 -0.61 0.00 0.00 39.78 40.19 1z3k n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1z3k n GLU 19 N -4.32 -0.02 -1.08 3.52 -0.58 -1.26 -4.80 120.64 112.10 1z3k n GLU 19 Ca 0.21 1.16 0.00 0.00 -0.42 0.00 0.00 57.16 58.11 1z3k n GLU 19 Cb 0.71 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1z3k n GLU 19 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1z3k n ARG 20 N -4.34 0.00 -0.60 3.49 3.00 0.39 -4.87 116.66 113.72 1z3k n ARG 20 Ca 0.41 0.36 0.00 0.00 -0.00 0.00 0.00 57.85 58.63 1z3k n ARG 20 Cb 1.73 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 33.11 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1z3k n GLY 21 N -0.71 0.70 3.17 5.14 0.00 -1.25 -4.05 105.19 108.18 1z3k n GLY 21 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1z3k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z3k s VAL 22 N -2.40 2.32 0.05 1.61 -7.23 -1.26 -4.31 120.40 109.18 1z3k s VAL 22 Ca 0.00 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1z3k s VAL 22 Cb 0.00 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.96 1z3k s VAL 22 CO 0.00 0.52 0.00 1.21 -0.31 0.00 0.00 175.10 176.52 1z3k n GLU 23 N 4.46 -0.46 -1.90 4.82 4.07 -1.26 -3.64 120.64 126.72 1z3k n GLU 23 Ca -0.20 0.30 -0.40 0.00 -0.06 0.00 0.00 57.16 56.80 1z3k n GLU 23 Cb 0.51 -0.56 -0.01 0.00 -0.06 0.00 0.00 31.44 31.32 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1z3k n GLY 24 N -0.79 5.04 3.62 8.31 0.00 -1.26 -4.36 105.19 115.75 1z3k n GLY 24 Ca 0.00 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1z3k n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z3k s ASP 25 N 0.69 6.73 -0.03 1.61 2.15 -1.24 -4.63 116.67 121.95 1z3k s ASP 25 Ca 0.56 0.78 0.03 0.00 0.43 0.00 0.00 52.55 54.35 1z3k s ASP 25 Cb 0.18 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1z3k s ASP 25 CO -0.08 -0.65 -0.11 0.12 -0.17 0.00 0.00 175.17 174.28 1z3k s PHE 26 N 3.06 1.19 -0.02 -5.34 2.19 -1.14 -2.41 117.98 115.52 1z3k s PHE 26 Ca 0.35 -0.32 -0.00 0.00 0.33 0.00 0.00 56.93 57.28 1z3k s PHE 26 Cb -0.14 -0.84 0.02 0.00 -1.31 0.00 0.00 43.02 40.76 1z3k s PHE 26 CO 0.12 -0.13 0.03 -0.48 1.83 0.00 0.00 175.22 176.59 1z3k s LEU 27 N 0.20 1.32 -0.05 6.12 2.34 -1.05 -1.01 118.68 126.54 1z3k s LEU 27 Ca -0.04 0.05 0.03 0.00 0.06 0.00 0.00 54.13 54.22 1z3k s LEU 27 Cb -0.10 -0.02 -0.03 0.00 -0.56 0.00 0.00 46.19 45.49 1z3k s LEU 27 CO 0.01 -0.09 -0.12 -0.63 -1.06 0.00 0.00 176.35 174.46 1z3k s ILE 28 N 0.76 3.25 0.03 1.48 1.01 -1.25 -1.95 121.20 124.51 1z3k s ILE 28 Ca -0.06 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1z3k s ILE 28 Cb -0.09 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1z3k s ILE 28 CO -0.02 0.58 0.01 0.00 0.00 0.00 0.00 174.94 175.51 1z3k s ARG 29 N -0.79 0.42 0.36 2.79 1.70 0.24 -4.78 118.95 118.89 1z3k s ARG 29 Ca 0.12 -0.70 -0.22 0.00 -0.47 0.00 0.00 55.73 54.46 1z3k s ARG 29 Cb -0.11 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.33 1z3k s ARG 29 CO 0.01 -0.08 0.90 0.34 -1.08 0.00 0.00 175.30 175.38 1z3k s ASP 30 N -1.78 7.07 -0.60 -2.89 2.15 -1.22 0.18 116.67 119.58 1z3k s ASP 30 Ca -0.11 1.66 -0.16 0.00 0.43 0.00 0.00 52.55 54.37 1z3k s ASP 30 Cb -0.05 -2.52 0.14 0.00 -0.30 0.00 0.00 42.92 40.19 1z3k s ASP 30 CO -0.03 -0.19 0.58 -0.55 -0.17 0.00 0.00 175.17 174.81 1z3k s SER 31 N -1.93 6.30 0.52 -0.34 0.15 0.16 -4.69 113.70 113.86 1z3k s SER 31 Ca 0.55 -1.91 0.41 0.00 0.70 0.00 0.00 55.95 55.70 1z3k s SER 31 Cb -0.13 -2.22 1.59 0.00 -1.71 0.00 0.00 66.02 63.54 1z3k s SER 31 CO 0.18 -0.85 1.65 -0.33 1.20 0.00 0.00 173.24 175.09 1z3k h GLU 32 N 8.73 0.04 -0.71 5.44 5.08 -1.90 0.98 114.58 132.24 1z3k h GLU 32 Ca -0.22 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1z3k h GLU 32 Cb 1.09 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1z3k h GLU 32 CO 1.00 0.02 0.47 1.03 -1.00 0.00 0.00 179.01 180.53 1z3k h SER 33 N 0.04 0.76 -3.01 1.42 0.87 -1.97 -3.43 113.55 108.23 1z3k h SER 33 Ca 0.81 -0.01 -0.64 0.00 -1.23 0.00 0.00 61.79 60.71 1z3k h SER 33 Cb 3.02 -0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 64.63 1z3k h SER 33 CO -0.13 0.53 -0.80 -0.44 -0.53 0.00 0.00 176.83 175.46 1z3k s SER 34 N -6.33 3.57 0.20 6.23 0.01 0.34 -5.05 113.70 112.68 1z3k s SER 34 Ca -0.10 -0.85 0.10 0.00 1.31 0.00 0.00 55.95 56.41 1z3k s SER 34 Cb 0.18 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1z3k s SER 34 CO 0.77 0.11 1.41 1.55 0.41 0.00 0.00 173.24 177.49 1z3k h PRO 35 N 3.01 0.00 -1.19 12.44 0.13 -1.83 -3.35 132.00 141.20 1z3k h PRO 35 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 1z3k h PRO 35 Cb 1.22 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.93 1z3k h PRO 35 CO 0.51 0.78 -0.95 0.45 -0.23 0.00 0.00 178.00 178.56 1z3k n SER 36 N -3.42 3.22 -4.40 1.44 2.88 -1.26 -5.01 113.62 107.07 1z3k n SER 36 Ca 0.00 -3.21 -0.33 0.00 -1.33 0.00 0.00 58.87 54.00 1z3k n SER 36 Cb 0.81 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.64 1z3k n SER 36 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1z3k s ASP 37 N -3.39 3.97 0.00 -3.46 1.11 -1.26 -3.24 116.67 110.40 1z3k s ASP 37 Ca 0.38 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.82 1z3k s ASP 37 Cb 0.42 -1.33 -0.00 0.00 1.07 0.00 0.00 42.92 43.07 1z3k s ASP 37 CO -0.07 0.23 -0.01 -0.36 1.18 0.00 0.00 175.17 176.13 1z3k s PHE 38 N -0.02 0.13 0.01 4.23 0.08 0.10 0.37 117.98 122.89 1z3k s PHE 38 Ca -0.04 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1z3k s PHE 38 Cb -0.14 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.21 1z3k s PHE 38 CO 0.04 -0.02 -0.14 0.45 -0.10 0.00 0.00 175.22 175.45 1z3k s SER 39 N -0.17 1.67 -0.09 1.36 0.15 0.13 0.12 113.70 116.88 1z3k s SER 39 Ca -0.01 -0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.23 1z3k s SER 39 Cb -0.01 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1z3k s SER 39 CO -0.00 0.11 0.22 0.54 1.20 0.00 0.00 173.24 175.31 1z3k s VAL 40 N -0.56 -0.02 -0.03 4.45 0.11 -0.96 0.79 120.40 124.18 1z3k s VAL 40 Ca 0.04 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1z3k s VAL 40 Cb -0.06 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1z3k s VAL 40 CO 0.00 0.03 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.14 1z3k s SER 41 N 0.60 2.60 0.26 3.54 0.01 -0.82 -1.39 113.70 118.49 1z3k s SER 41 Ca -0.04 -0.42 0.11 0.00 1.31 0.00 0.00 55.95 56.91 1z3k s SER 41 Cb -0.05 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 1z3k s SER 41 CO -0.03 0.24 -0.13 -0.22 0.41 0.00 0.00 173.24 173.50 1z3k s LEU 42 N -0.30 2.80 0.09 2.44 2.96 0.21 -2.54 118.68 124.34 1z3k s LEU 42 Ca 0.03 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1z3k s LEU 42 Cb -0.10 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1z3k s LEU 42 CO 0.01 0.04 0.20 -0.54 -1.32 0.00 0.00 176.35 174.74 1z3k s LYS 43 N -3.41 3.31 0.15 1.98 -0.14 -1.01 -1.51 119.74 119.10 1z3k s LYS 43 Ca 0.29 -0.55 -0.00 0.00 -1.36 0.00 0.00 55.97 54.35 1z3k s LYS 43 Cb -0.06 -2.94 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 1z3k s LYS 43 CO 0.16 0.57 0.19 0.00 -0.76 0.00 0.00 175.35 175.51 1z3k n ALA 44 N 0.06 -0.07 -1.63 5.17 0.00 -0.17 -4.68 120.51 119.20 1z3k n ALA 44 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 1z3k n ALA 44 Cb 0.52 0.57 -0.11 0.00 0.00 0.00 0.00 19.45 20.43 1z3k n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1z3k s SER 45 N -1.92 3.52 0.00 0.00 0.15 -1.26 -2.88 113.70 111.30 1z3k s SER 45 Ca 0.13 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1z3k s SER 45 Cb -0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1z3k s SER 45 CO 0.09 -4.64 0.00 0.61 1.20 0.00 0.00 173.24 170.50 1z3k n GLY 46 N 6.19 0.95 3.77 9.45 0.00 -1.26 -4.98 105.19 119.30 1z3k n GLY 46 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1z3k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z3k s LYS 47 N -0.25 2.55 -0.15 1.61 -0.14 -1.14 -4.81 119.74 117.40 1z3k s LYS 47 Ca 0.00 -1.39 -0.02 0.00 -1.36 0.00 0.00 55.97 53.21 1z3k s LYS 47 Cb 0.00 -2.32 0.05 0.00 -1.68 0.00 0.00 37.83 33.88 1z3k s LYS 47 CO 0.00 0.17 0.00 0.54 -0.76 0.00 0.00 175.35 175.31 1z3k s ASN 48 N -3.87 2.53 -0.45 2.83 2.20 -1.26 -1.00 114.94 115.91 1z3k s ASN 48 Ca 0.37 -0.58 -0.18 0.00 -0.94 0.00 0.00 52.86 51.53 1z3k s ASN 48 Cb -0.05 -0.64 0.04 0.00 -2.00 0.00 0.00 41.25 38.60 1z3k s ASN 48 CO 0.24 -0.24 0.51 -0.54 -2.94 0.00 0.00 177.10 174.13 1z3k s LYS 49 N 1.83 3.12 -0.03 3.55 1.02 -0.57 -4.94 119.74 123.71 1z3k s LYS 49 Ca 0.01 -0.79 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1z3k s LYS 49 Cb -0.15 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 1z3k s LYS 49 CO -0.07 -0.99 0.03 -3.38 -0.92 0.00 0.00 175.35 170.02 1z3k s HIS 50 N 2.33 3.19 0.02 3.18 -3.43 -1.26 -0.62 115.29 118.70 1z3k s HIS 50 Ca 0.14 0.18 -0.01 0.00 -0.80 0.00 0.00 55.06 54.56 1z3k s HIS 50 Cb -0.18 -1.74 -0.02 0.00 -1.43 0.00 0.00 32.58 29.22 1z3k s HIS 50 CO 0.13 0.51 -0.01 -0.06 -2.00 0.00 0.00 174.74 173.31 1z3k s PHE 51 N -1.06 0.23 -0.12 0.38 0.08 -0.48 -5.01 117.98 111.99 1z3k s PHE 51 Ca 0.19 -0.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 1z3k s PHE 51 Cb -0.12 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1z3k s PHE 51 CO 0.09 -0.20 0.07 0.21 -0.10 0.00 0.00 175.22 175.28 1z3k s LYS 52 N -1.45 3.42 -0.29 0.44 2.20 -1.26 -2.25 119.74 120.55 1z3k s LYS 52 Ca -0.16 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1z3k s LYS 52 Cb -0.10 -3.05 0.06 0.00 -1.51 0.00 0.00 37.83 33.23 1z3k s LYS 52 CO -0.01 0.61 -0.04 0.08 -0.36 0.00 0.00 175.35 175.63 1z3k s VAL 53 N -0.59 2.53 0.05 4.02 1.01 0.33 0.84 120.40 128.59 1z3k s VAL 53 Ca 0.11 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.55 1z3k s VAL 53 Cb -0.12 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1z3k s VAL 53 CO 0.02 -0.13 -0.21 -1.58 0.00 0.00 0.00 175.10 173.21 1z3k s GLN 54 N 1.14 1.33 -0.44 2.72 0.74 -0.75 0.01 119.66 124.41 1z3k s GLN 54 Ca -0.05 -0.98 -0.24 0.00 0.05 0.00 0.00 55.36 54.14 1z3k s GLN 54 Cb -0.20 -1.47 0.02 0.00 1.10 0.00 0.00 33.01 32.46 1z3k s GLN 54 CO -0.04 0.37 0.81 -1.17 -0.55 0.00 0.00 175.29 174.72 1z3k s LEU 55 N -1.32 4.19 -0.09 3.68 1.98 -1.20 0.06 118.68 125.97 1z3k s LEU 55 Ca 0.07 -0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.29 1z3k s LEU 55 Cb -0.09 -3.02 -0.03 0.00 0.66 0.00 0.00 46.19 43.72 1z3k s LEU 55 CO 0.02 -0.93 -0.08 0.54 -1.89 0.00 0.00 176.35 174.02 1z3k s VAL 56 N 3.37 3.60 -0.80 1.68 0.11 0.50 -4.76 120.40 124.10 1z3k s VAL 56 Ca 0.31 -0.50 -0.17 0.00 -2.93 0.00 0.00 61.98 58.70 1z3k s VAL 56 Cb -0.12 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 1z3k s VAL 56 CO 0.23 0.57 0.32 -0.90 -3.33 0.00 0.00 175.10 171.98 1z3k n ASP 57 N 2.69 -1.79 -2.20 3.54 5.68 -1.26 0.30 116.55 123.51 1z3k n ASP 57 Ca -0.18 -0.81 -0.19 0.00 -0.50 0.00 0.00 54.79 53.12 1z3k n ASP 57 Cb 0.53 -0.98 -0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1z3k n ASN 58 N -1.12 -5.45 -4.14 -1.12 5.15 -1.26 -4.99 115.26 102.33 1z3k n ASN 58 Ca -0.10 -0.04 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 1z3k n ASN 58 Cb 0.37 -4.48 -0.11 0.00 -0.53 0.00 0.00 39.78 35.03 1z3k n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1z3k s VAL 59 N -2.96 0.77 -0.37 3.44 0.11 0.86 -5.09 120.40 117.17 1z3k s VAL 59 Ca 0.03 -1.54 -0.07 0.00 -2.93 0.00 0.00 61.98 57.46 1z3k s VAL 59 Cb -0.01 -1.22 0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1z3k s VAL 59 CO 0.03 -0.58 0.16 -0.31 -3.33 0.00 0.00 175.10 171.08 1z3k s TYR 60 N -2.40 3.29 0.17 1.54 2.02 -0.59 0.19 117.35 121.57 1z3k s TYR 60 Ca 0.02 -1.46 -0.05 0.00 -0.37 0.00 0.00 57.07 55.21 1z3k s TYR 60 Cb -0.03 -2.53 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1z3k s TYR 60 CO -0.01 -0.77 0.42 0.00 -1.57 0.00 0.00 175.55 173.62 1z3k s ILE 62 N -1.74 0.01 0.00 0.00 -1.09 -0.50 -1.81 121.20 116.07 1z3k s ILE 62 Ca 0.42 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1z3k s ILE 62 Cb -0.12 -0.59 0.00 0.00 -1.58 0.00 0.00 42.46 40.17 1z3k s ILE 62 CO 0.25 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1z3k n GLY 63 N 5.25 1.96 2.77 6.18 0.00 0.25 -3.31 105.19 118.29 1z3k n GLY 63 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1z3k n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1z3k n GLN 64 N 0.00 1.50 -3.72 1.61 1.13 -1.26 -4.69 117.38 111.95 1z3k n GLN 64 Ca 0.00 -3.39 -0.09 0.00 -1.94 0.00 0.00 57.00 51.58 1z3k n GLN 64 Cb 0.00 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 1z3k n GLN 64 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1z3k s ARG 65 N -3.51 1.60 -0.10 -1.09 1.81 -1.21 -5.16 118.95 111.29 1z3k s ARG 65 Ca 0.27 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.47 1z3k s ARG 65 Cb 0.37 0.59 -0.01 0.00 -0.45 0.00 0.00 34.95 35.46 1z3k s ARG 65 CO -0.01 -0.72 -0.18 1.03 -0.68 0.00 0.00 175.30 174.74 1z3k s ARG 66 N -3.87 3.06 0.10 3.54 1.81 -1.26 -1.41 118.95 120.92 1z3k s ARG 66 Ca 0.08 -0.77 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 1z3k s ARG 66 Cb -0.04 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.98 1z3k s ARG 66 CO 0.00 0.28 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.78 1z3k s PHE 67 N 0.13 0.88 -1.96 -0.53 0.08 0.47 -4.96 117.98 112.09 1z3k s PHE 67 Ca -0.09 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.04 1z3k s PHE 67 Cb -0.15 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 1z3k s PHE 67 CO 0.06 -0.16 0.86 -2.39 -0.10 0.00 0.00 175.22 173.49 1z3k n HIS 68 N -0.04 0.00 -4.08 0.36 1.44 -1.26 -1.55 115.22 110.09 1z3k n HIS 68 Ca -0.12 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.50 1z3k n HIS 68 Cb 0.61 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.61 1z3k n HIS 68 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1z3k s THR 69 N -1.96 0.34 0.00 0.61 2.01 -1.26 -4.84 115.64 110.54 1z3k s THR 69 Ca 0.00 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.46 1z3k s THR 69 Cb 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1z3k s THR 69 CO 0.00 -0.78 0.00 0.80 -0.69 0.00 0.00 174.62 173.95 1z3k n MET 70 N 0.58 0.00 -0.36 4.92 1.56 -1.26 -4.50 117.12 118.06 1z3k n MET 70 Ca -0.17 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.38 1z3k n MET 70 Cb 0.59 0.00 0.32 0.00 2.15 0.00 0.00 33.22 36.27 1z3k n MET 70 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1z3k n ASP 71 N -1.35 3.85 0.00 6.12 9.92 -1.26 -4.02 116.55 129.81 1z3k n ASP 71 Ca 0.00 -2.00 0.11 0.00 -0.53 0.00 0.00 54.79 52.37 1z3k n ASP 71 Cb 0.00 -0.47 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1z3k n GLU 72 N 1.61 0.54 0.10 -1.24 4.71 -1.26 -4.13 120.64 120.97 1z3k n GLU 72 Ca 0.24 -0.13 0.11 0.00 -0.01 0.00 0.00 57.16 57.37 1z3k n GLU 72 Cb 0.61 -1.55 0.45 0.00 -1.01 0.00 0.00 31.44 29.94 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1z3k n LEU 73 N -2.17 0.51 0.02 -4.62 -0.00 -1.26 -1.49 117.00 107.98 1z3k n LEU 73 Ca -0.02 0.62 0.14 0.00 -0.00 0.00 0.00 56.01 56.75 1z3k n LEU 73 Cb 0.53 -0.56 0.53 0.00 -0.00 0.00 0.00 43.42 43.92 1z3k n LEU 73 CO 0.45 -0.48 0.87 0.52 -0.00 0.00 0.00 177.39 178.74 1z3k n VAL 74 N -2.06 0.09 0.02 1.47 0.31 -1.26 0.20 118.33 117.11 1z3k n VAL 74 Ca 0.02 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1z3k n VAL 74 Cb 0.22 -0.41 -0.13 0.00 -0.91 0.00 0.00 33.84 32.60 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1z3k h GLU 75 N 0.00 0.03 0.00 5.55 4.39 -1.45 -3.38 114.58 119.72 1z3k h GLU 75 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1z3k h GLU 75 Cb 0.54 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1z3k h GLU 75 CO 0.00 0.78 -0.15 0.72 -1.16 0.00 0.00 179.01 179.19 1z3k n HIS 76 N -3.22 0.00 -3.86 4.33 8.25 -1.20 -5.03 115.22 114.48 1z3k n HIS 76 Ca -0.10 -0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.06 1z3k n HIS 76 Cb 1.01 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 32.04 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1z3k n TYR 77 N -0.06 -0.93 0.00 4.41 0.18 0.54 -4.92 117.16 116.39 1z3k n TYR 77 Ca 0.00 0.36 0.00 0.00 1.88 0.00 0.00 57.90 60.14 1z3k n TYR 77 Cb 0.55 -2.03 0.00 0.00 -0.38 0.00 0.00 39.34 37.48 1z3k n TYR 77 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1z3k n LYS 78 N -3.69 0.00 -1.16 -3.48 2.85 -1.23 -4.27 118.16 107.18 1z3k n LYS 78 Ca -0.21 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.71 1z3k n LYS 78 Cb 0.49 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 1z3k n LYS 78 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1z3k n LYS 79 N 0.00 2.52 -4.06 -1.58 5.02 -1.26 -4.85 118.16 113.95 1z3k n LYS 79 Ca 0.00 -1.94 -0.26 0.00 -2.02 0.00 0.00 58.31 54.09 1z3k n LYS 79 Cb 0.00 -2.80 -0.05 0.00 -0.02 0.00 0.00 35.03 32.16 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1z3k s ALA 80 N 3.40 3.66 -1.30 7.82 0.00 -1.26 -4.86 121.76 129.21 1z3k s ALA 80 Ca 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1z3k s ALA 80 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1z3k s ALA 80 CO -0.02 0.48 0.00 -0.35 0.00 0.00 0.00 175.76 175.87 1z3k n PRO 81 N -0.49 0.00 -1.78 0.00 -0.04 -1.26 -4.72 135.00 126.71 1z3k n PRO 81 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1z3k n PRO 81 Cb 0.55 -0.97 -0.01 0.00 -0.04 0.00 0.00 33.50 33.03 1z3k n PRO 81 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1z3k s ILE 82 N -1.30 2.03 -0.05 0.52 -1.09 -1.25 -4.91 121.20 115.14 1z3k s ILE 82 Ca 0.00 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 1z3k s ILE 82 Cb 0.00 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1z3k s ILE 82 CO 0.00 0.01 0.13 0.12 -1.23 0.00 0.00 174.94 173.97 1z3k s PHE 83 N -0.45 -0.15 0.18 3.97 2.19 -1.20 -4.77 117.98 117.77 1z3k s PHE 83 Ca 0.59 0.37 -0.08 0.00 0.33 0.00 0.00 56.93 58.15 1z3k s PHE 83 Cb -0.48 0.03 -0.06 0.00 -1.31 0.00 0.00 43.02 41.20 1z3k s PHE 83 CO 0.54 -0.09 0.47 0.99 1.83 0.00 0.00 175.22 178.97 1z3k s THR 84 N 0.26 5.03 0.10 0.12 2.01 -1.25 0.20 115.64 122.11 1z3k s THR 84 Ca -0.02 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.37 1z3k s THR 84 Cb -0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1z3k s THR 84 CO -0.01 0.00 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.21 1z3k s SER 85 N -2.34 3.96 0.07 3.53 0.15 0.05 -4.87 113.70 114.25 1z3k s SER 85 Ca 0.44 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.43 1z3k s SER 85 Cb -0.12 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.56 1z3k s SER 85 CO 0.22 0.19 0.78 1.21 1.20 0.00 0.00 173.24 176.85 1z3k n GLU 86 N 0.89 -0.20 -0.57 5.44 4.07 -1.26 -1.33 120.64 127.68 1z3k n GLU 86 Ca -0.15 0.77 0.06 0.00 -0.06 0.00 0.00 57.16 57.78 1z3k n GLU 86 Cb 0.53 -1.13 0.12 0.00 -0.06 0.00 0.00 31.44 30.89 1z3k n GLU 86 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1z3k n HIS 87 N -4.36 0.00 0.35 4.31 8.25 -1.26 -4.68 115.22 117.83 1z3k n HIS 87 Ca 0.01 -0.91 0.06 0.00 -0.26 0.00 0.00 57.72 56.61 1z3k n HIS 87 Cb 0.12 -0.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 1z3k n HIS 87 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1z3k n GLY 88 N -0.76 -0.31 1.94 -1.41 0.00 -0.44 -5.11 105.19 99.10 1z3k n GLY 88 Ca 0.13 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1z3k n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z3k n GLU 89 N -1.53 -1.09 -2.49 1.61 1.02 -0.92 -4.62 120.64 112.62 1z3k n GLU 89 Ca 0.01 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.46 1z3k n GLU 89 Cb 0.24 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1z3k n GLU 89 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1z3k s LYS 90 N -1.26 4.62 -0.96 3.49 3.01 -1.26 -0.77 119.74 126.61 1z3k s LYS 90 Ca 0.00 1.77 -0.24 0.00 -1.01 0.00 0.00 55.97 56.49 1z3k s LYS 90 Cb 0.00 -3.23 0.01 0.00 -1.01 0.00 0.00 37.83 33.60 1z3k s LYS 90 CO 0.00 0.15 1.68 -0.51 0.51 0.00 0.00 175.35 177.18 1z3k s LEU 91 N -0.94 3.35 0.04 3.17 1.43 0.52 -4.79 118.68 121.45 1z3k s LEU 91 Ca 0.47 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 1z3k s LEU 91 Cb -0.31 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1z3k s LEU 91 CO 0.38 -2.08 0.67 -0.72 0.23 0.00 0.00 176.35 174.83 1z3k s TYR 92 N 7.33 3.74 -0.93 0.29 -0.85 -1.26 -3.22 117.35 122.45 1z3k s TYR 92 Ca 0.57 1.35 -0.22 0.00 -0.52 0.00 0.00 57.07 58.25 1z3k s TYR 92 Cb -0.03 -2.68 0.07 0.00 0.38 0.00 0.00 41.96 39.70 1z3k s TYR 92 CO -0.06 0.37 1.29 -0.51 -1.52 0.00 0.00 175.55 175.13 1z3k s LEU 93 N -0.37 4.02 0.00 -3.49 1.43 -1.26 -4.53 118.68 114.49 1z3k s LEU 93 Ca 0.34 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1z3k s LEU 93 Cb -0.20 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1z3k s LEU 93 CO 0.20 -1.40 0.00 0.55 0.23 0.00 0.00 176.35 175.93 1z3k n VAL 94 N 6.32 0.00 -4.02 -1.59 3.14 -1.26 -4.31 118.33 116.61 1z3k n VAL 94 Ca 0.24 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.50 1z3k n VAL 94 Cb 0.50 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.24 1z3k n VAL 94 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1z3k s ARG 95 N 1.80 1.85 0.04 1.45 3.00 -0.18 -4.71 118.95 122.18 1z3k s ARG 95 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 55.73 53.86 1z3k s ARG 95 Cb 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 34.95 35.38 1z3k s ARG 95 CO 0.00 -0.78 1.14 0.00 0.00 0.00 0.00 175.30 175.66 1z3k s ALA 96 N -3.23 3.34 0.07 2.13 0.00 -1.17 -2.86 121.76 120.03 1z3k s ALA 96 Ca 0.26 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1z3k s ALA 96 Cb -0.01 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1z3k s ALA 96 CO 0.16 -0.41 0.00 1.47 0.00 0.00 0.00 175.76 176.98 1z3k n LEU 97 N 4.02 0.00 0.00 0.00 -0.00 -1.26 -4.78 117.00 114.98 1z3k n LEU 97 Ca 0.08 0.31 0.06 0.00 -0.00 0.00 0.00 56.01 56.46 1z3k n LEU 97 Cb 0.48 -1.01 0.36 0.00 -0.00 0.00 0.00 43.42 43.24 1z3k n LEU 97 CO 0.55 -0.87 0.57 1.67 -0.00 0.00 0.00 177.39 179.31