#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 0.93 0.00 2.89 4.07 -1.26 -4.85 120.64 122.42 1z3k n GLU 2 Ca 0.00 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1z3k n GLU 2 Cb 0.00 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 1z3k n GLU 2 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1z3k n TRP 3 N -2.85 0.00 -4.41 4.31 8.01 -1.26 -5.04 117.44 116.21 1z3k n TRP 3 Ca -0.30 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.66 1z3k n TRP 3 Cb 0.92 -0.12 -0.13 0.00 -2.01 0.00 0.00 31.31 29.96 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 -0.95 1.66 0.00 -5.99 1.13 -1.26 -5.08 117.35 106.87 1z3k s TYR 4 Ca 0.00 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1z3k s TYR 4 Cb 0.00 -0.95 0.00 0.00 -1.10 0.00 0.00 41.96 39.91 1z3k s TYR 4 CO 0.00 0.13 0.00 0.66 -2.51 0.00 0.00 175.55 173.83 1z3k n TYR 5 N 1.48 0.00 0.00 -3.49 4.02 -1.26 -4.46 117.16 113.45 1z3k n TYR 5 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1z3k n TYR 5 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1z3k n TYR 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z3k n GLY 6 N 2.86 0.00 2.89 2.72 0.00 -1.26 -5.02 105.19 107.38 1z3k n GLY 6 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1z3k n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z3k s ASN 7 N -0.67 0.45 0.00 1.61 4.22 -1.26 -1.53 114.94 117.76 1z3k s ASN 7 Ca 0.00 -0.00 0.00 0.00 -2.14 0.00 0.00 52.86 50.72 1z3k s ASN 7 Cb 0.00 1.02 0.00 0.00 1.28 0.00 0.00 41.25 43.55 1z3k s ASN 7 CO 0.00 -0.32 0.00 0.52 -2.04 0.00 0.00 177.10 175.26 1z3k n VAL 8 N 5.36 0.00 -0.88 3.54 0.31 -1.26 -4.83 118.33 120.57 1z3k n VAL 8 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 1z3k n VAL 8 Cb 0.50 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.50 1z3k n VAL 8 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1z3k n THR 9 N -0.51 0.00 0.00 2.52 -1.04 -1.26 -0.07 114.28 113.91 1z3k n THR 9 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1z3k n THR 9 Cb 0.00 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1z3k n THR 9 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1z3k n ARG 10 N 1.14 0.00 -0.11 -2.82 1.85 -1.26 -3.90 116.66 111.56 1z3k n ARG 10 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.67 1z3k n ARG 10 Cb 0.66 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.97 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1z3k n HIS 11 N 0.00 0.00 0.09 2.89 -0.00 -1.12 -4.33 115.22 112.75 1z3k n HIS 11 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 1z3k n HIS 11 Cb 0.00 -0.87 -0.09 0.00 -0.12 0.00 0.00 29.99 28.91 1z3k n HIS 11 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1z3k h GLN 12 N -0.10 0.39 -0.97 1.57 -0.00 -0.60 -2.75 115.11 112.66 1z3k h GLN 12 Ca -0.52 -0.52 0.27 0.00 -0.00 0.00 0.00 58.65 57.88 1z3k h GLN 12 Cb 1.75 0.17 -0.05 0.00 -0.00 0.00 0.00 27.48 29.35 1z3k h GLN 12 CO -0.11 1.19 0.68 0.00 -0.00 0.00 0.00 178.83 180.59 1z3k h ALA 13 N 0.60 2.71 0.18 0.06 0.00 -1.78 1.35 119.26 122.39 1z3k h ALA 13 Ca -0.12 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.45 1z3k h ALA 13 Cb 1.78 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.63 1z3k h ALA 13 CO 0.19 -1.00 -1.61 1.05 0.00 0.00 0.00 179.25 177.88 1z3k h GLU 14 N 0.12 0.38 0.00 0.00 4.11 -1.74 0.78 114.58 118.23 1z3k h GLU 14 Ca 0.48 -0.64 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1z3k h GLU 14 Cb 1.69 0.24 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1z3k h GLU 14 CO -0.08 1.28 0.00 0.00 0.07 0.00 0.00 179.01 180.28 1z3k n ALA 16 N -1.44 1.98 0.37 0.00 0.00 0.39 -4.75 120.51 117.07 1z3k n ALA 16 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1z3k n ALA 16 Cb 0.09 0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.23 0.74 0.00 0.00 4.77 0.27 -4.71 117.00 115.84 1z3k n LEU 17 Ca -0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1z3k n LEU 17 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1z3k n LEU 17 CO 0.01 0.16 0.00 -3.20 -1.33 0.00 0.00 177.39 173.03 1z3k n ASN 18 N -0.73 0.00 0.00 -1.43 5.15 0.73 -3.34 115.26 115.63 1z3k n ASN 18 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1z3k n ASN 18 Cb 0.15 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 1z3k n ASN 18 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1z3k n GLU 19 N -2.00 0.00 0.00 1.20 4.07 -1.26 -4.89 120.64 117.76 1z3k n GLU 19 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1z3k n GLU 19 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1z3k n GLU 19 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1z3k n ARG 20 N 0.00 0.00 0.00 5.31 -4.01 -1.21 -4.86 116.66 111.89 1z3k n ARG 20 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1z3k n ARG 20 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1z3k n GLY 21 N 0.00 0.05 3.15 2.89 0.00 -1.26 -4.66 105.19 105.36 1z3k n GLY 21 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1z3k n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z3k s VAL 22 N -0.01 2.19 0.00 1.61 1.01 -1.26 -4.97 120.40 118.97 1z3k s VAL 22 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1z3k s VAL 22 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1z3k s VAL 22 CO 0.00 0.53 0.00 -1.84 0.00 0.00 0.00 175.10 173.79 1z3k n GLU 23 N 4.56 0.00 -2.71 2.72 0.28 -1.26 -2.20 120.64 122.04 1z3k n GLU 23 Ca -0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.72 1z3k n GLU 23 Cb 0.50 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.47 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1z3k n GLY 24 N 0.00 -0.04 3.80 -1.84 0.00 -1.26 -4.82 105.19 101.03 1z3k n GLY 24 Ca 0.00 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1z3k n GLY 24 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1z3k s ASP 25 N -0.91 6.49 -0.04 1.61 1.47 -0.93 -4.72 116.67 119.64 1z3k s ASP 25 Ca 0.21 0.58 0.02 0.00 1.18 0.00 0.00 52.55 54.54 1z3k s ASP 25 Cb 0.29 -2.16 0.01 0.00 -0.34 0.00 0.00 42.92 40.73 1z3k s ASP 25 CO -0.10 0.25 -0.08 0.12 0.68 0.00 0.00 175.17 176.04 1z3k s PHE 26 N -0.34 1.01 -0.08 2.11 2.19 -1.25 -3.26 117.98 118.34 1z3k s PHE 26 Ca 0.17 -0.29 -0.04 0.00 0.33 0.00 0.00 56.93 57.10 1z3k s PHE 26 Cb -0.13 -0.76 0.05 0.00 -1.31 0.00 0.00 43.02 40.86 1z3k s PHE 26 CO 0.06 -0.16 0.18 -0.48 1.83 0.00 0.00 175.22 176.64 1z3k s LEU 27 N 0.50 0.32 -0.03 6.12 2.34 -1.08 -2.57 118.68 124.29 1z3k s LEU 27 Ca -0.08 0.37 0.03 0.00 0.06 0.00 0.00 54.13 54.51 1z3k s LEU 27 Cb -0.12 0.42 -0.03 0.00 -0.56 0.00 0.00 46.19 45.90 1z3k s LEU 27 CO 0.01 -0.19 -0.09 -0.51 -1.06 0.00 0.00 176.35 174.51 1z3k s ILE 28 N 1.67 3.50 0.17 1.48 2.07 -1.26 -2.16 121.20 126.67 1z3k s ILE 28 Ca -0.04 -0.69 0.07 0.00 -1.41 0.00 0.00 60.65 58.58 1z3k s ILE 28 Cb -0.12 -2.46 -0.04 0.00 0.13 0.00 0.00 42.46 39.97 1z3k s ILE 28 CO -0.07 0.50 -0.15 0.00 -1.91 0.00 0.00 174.94 173.31 1z3k s ARG 29 N -1.07 1.23 0.71 3.50 1.70 0.40 -4.71 118.95 120.71 1z3k s ARG 29 Ca 0.14 -1.44 -0.11 0.00 -0.47 0.00 0.00 55.73 53.85 1z3k s ARG 29 Cb -0.11 -1.12 0.02 0.00 -0.57 0.00 0.00 34.95 33.17 1z3k s ARG 29 CO 0.04 0.21 1.07 0.34 -1.08 0.00 0.00 175.30 175.88 1z3k s ASP 30 N -2.89 5.33 -0.31 -2.89 -1.08 -0.58 0.05 116.67 114.30 1z3k s ASP 30 Ca 0.17 1.35 0.02 0.00 -0.52 0.00 0.00 52.55 53.57 1z3k s ASP 30 Cb -0.03 -2.21 0.09 0.00 -1.46 0.00 0.00 42.92 39.31 1z3k s ASP 30 CO 0.06 -1.44 0.04 -0.55 0.52 0.00 0.00 175.17 173.79 1z3k s SER 31 N -4.06 4.37 0.56 -0.34 0.15 0.33 -4.74 113.70 109.97 1z3k s SER 31 Ca 0.58 -1.80 0.37 0.00 0.70 0.00 0.00 55.95 55.80 1z3k s SER 31 Cb -0.13 -1.31 1.52 0.00 -1.71 0.00 0.00 66.02 64.39 1z3k s SER 31 CO 0.54 -0.36 1.75 -0.33 1.20 0.00 0.00 173.24 176.04 1z3k h GLU 32 N 7.82 0.00 -0.92 5.44 4.39 -1.97 0.77 114.58 130.11 1z3k h GLU 32 Ca -0.10 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.77 1z3k h GLU 32 Cb 1.03 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.58 1z3k h GLU 32 CO 0.48 0.00 0.51 0.66 -1.16 0.00 0.00 179.01 179.51 1z3k h SER 33 N 0.00 0.64 -4.15 1.42 4.64 -1.93 -3.43 113.55 110.73 1z3k h SER 33 Ca 0.56 0.10 -0.32 0.00 -0.47 0.00 0.00 61.79 61.66 1z3k h SER 33 Cb 2.37 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 64.30 1z3k h SER 33 CO -0.01 0.24 -0.68 -0.44 -0.87 0.00 0.00 176.83 175.07 1z3k s SER 34 N -5.42 1.58 0.46 4.97 0.01 0.26 -5.05 113.70 110.52 1z3k s SER 34 Ca -0.12 -1.11 0.26 0.00 1.31 0.00 0.00 55.95 56.29 1z3k s SER 34 Cb 0.23 0.04 0.64 0.00 0.21 0.00 0.00 66.02 67.14 1z3k s SER 34 CO 0.79 -0.45 1.72 1.55 0.41 0.00 0.00 173.24 177.25 1z3k h PRO 35 N 2.70 0.00 -0.56 12.44 0.13 -1.84 -3.31 132.00 141.56 1z3k h PRO 35 Ca -0.37 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.39 1z3k h PRO 35 Cb 1.20 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 1z3k h PRO 35 CO 0.64 0.03 -0.98 0.43 -0.23 0.00 0.00 178.00 177.89 1z3k n SER 36 N -3.11 3.03 -4.43 1.44 7.64 -1.26 -5.01 113.62 111.91 1z3k n SER 36 Ca 0.03 -2.79 -0.34 0.00 1.01 0.00 0.00 58.87 56.78 1z3k n SER 36 Cb 0.47 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 1z3k n SER 36 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1z3k s ASP 37 N -3.70 4.58 0.08 6.43 1.11 -1.25 -2.93 116.67 120.99 1z3k s ASP 37 Ca 0.38 -0.22 0.03 0.00 0.18 0.00 0.00 52.55 52.91 1z3k s ASP 37 Cb 0.36 -1.75 -0.03 0.00 1.07 0.00 0.00 42.92 42.57 1z3k s ASP 37 CO -0.01 0.12 -0.09 -0.36 1.18 0.00 0.00 175.17 176.01 1z3k s PHE 38 N 0.67 0.91 -0.02 4.23 0.40 0.20 0.12 117.98 124.49 1z3k s PHE 38 Ca -0.03 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1z3k s PHE 38 Cb -0.15 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 1z3k s PHE 38 CO 0.02 -0.05 -0.12 -1.12 0.70 0.00 0.00 175.22 174.65 1z3k s SER 39 N -2.19 1.47 -0.06 1.36 0.01 0.11 0.09 113.70 114.48 1z3k s SER 39 Ca 0.01 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 1z3k s SER 39 Cb -0.04 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1z3k s SER 39 CO -0.01 0.13 0.19 0.54 0.41 0.00 0.00 173.24 174.51 1z3k s VAL 40 N -0.14 0.01 -0.03 3.43 0.11 -0.57 0.15 120.40 123.36 1z3k s VAL 40 Ca 0.02 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1z3k s VAL 40 Cb -0.06 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1z3k s VAL 40 CO 0.00 -0.06 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.05 1z3k s SER 41 N -0.12 2.70 0.12 3.54 0.01 -0.92 -2.82 113.70 116.21 1z3k s SER 41 Ca -0.02 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1z3k s SER 41 Cb -0.02 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 1z3k s SER 41 CO 0.01 0.25 -0.09 -0.22 0.41 0.00 0.00 173.24 173.59 1z3k s LEU 42 N -0.32 2.49 0.21 2.44 2.96 -1.08 -2.62 118.68 122.76 1z3k s LEU 42 Ca 0.03 -0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 52.95 1z3k s LEU 42 Cb -0.11 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1z3k s LEU 42 CO 0.01 -0.35 0.43 -1.59 -1.32 0.00 0.00 176.35 173.52 1z3k s LYS 43 N -3.54 3.58 0.18 1.98 0.00 -1.20 -0.84 119.74 119.90 1z3k s LYS 43 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 55.97 55.93 1z3k s LYS 43 Cb 0.02 -2.79 -0.01 0.00 0.00 0.00 0.00 37.83 35.05 1z3k s LYS 43 CO -0.01 0.37 0.09 0.00 0.00 0.00 0.00 175.35 175.80 1z3k n ALA 44 N -0.52 0.29 -1.78 0.59 0.00 0.49 -4.59 120.51 114.99 1z3k n ALA 44 Ca -0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 53.44 52.25 1z3k n ALA 44 Cb 0.53 0.68 -0.09 0.00 0.00 0.00 0.00 19.45 20.57 1z3k n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1z3k s SER 45 N -2.16 4.03 0.00 0.00 0.01 -1.26 -3.24 113.70 111.09 1z3k s SER 45 Ca 0.12 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1z3k s SER 45 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1z3k s SER 45 CO 0.09 -4.12 0.00 0.61 0.41 0.00 0.00 173.24 170.23 1z3k n GLY 46 N 6.05 2.97 3.77 3.44 0.00 -1.26 -4.97 105.19 115.19 1z3k n GLY 46 Ca 0.43 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 -0.10 2.50 -0.16 1.61 -0.14 -1.20 -5.00 119.74 117.26 1z3k s LYS 47 Ca 0.00 -1.44 -0.05 0.00 -1.36 0.00 0.00 55.97 53.12 1z3k s LYS 47 Cb 0.00 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 1z3k s LYS 47 CO 0.00 0.13 0.00 0.54 -0.76 0.00 0.00 175.35 175.26 1z3k s ASN 48 N -3.88 5.13 -0.24 2.83 4.22 -1.26 0.18 114.94 121.93 1z3k s ASN 48 Ca 0.38 -0.03 -0.22 0.00 -2.14 0.00 0.00 52.86 50.85 1z3k s ASN 48 Cb -0.04 -1.82 -0.01 0.00 1.28 0.00 0.00 41.25 40.65 1z3k s ASN 48 CO 0.24 0.19 0.72 -0.54 -2.04 0.00 0.00 177.10 175.67 1z3k s LYS 49 N 0.25 4.16 0.26 3.55 1.02 -0.02 -4.87 119.74 124.11 1z3k s LYS 49 Ca -0.00 0.74 -0.29 0.00 0.02 0.00 0.00 55.97 56.44 1z3k s LYS 49 Cb -0.13 -3.63 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 1z3k s LYS 49 CO 0.02 -0.43 0.94 -3.38 -0.92 0.00 0.00 175.35 171.58 1z3k s HIS 50 N 2.54 3.90 -0.22 3.18 -3.43 -1.26 -2.65 115.29 117.35 1z3k s HIS 50 Ca 0.31 1.88 -0.03 0.00 -0.80 0.00 0.00 55.06 56.41 1z3k s HIS 50 Cb -0.16 -2.96 0.11 0.00 -1.43 0.00 0.00 32.58 28.15 1z3k s HIS 50 CO 0.08 0.39 0.31 0.12 -2.00 0.00 0.00 174.74 173.64 1z3k s PHE 51 N -1.31 -0.59 -0.08 0.38 2.19 -1.13 -4.98 117.98 112.47 1z3k s PHE 51 Ca 0.44 0.60 0.05 0.00 0.33 0.00 0.00 56.93 58.35 1z3k s PHE 51 Cb -0.24 -0.13 -0.01 0.00 -1.31 0.00 0.00 43.02 41.33 1z3k s PHE 51 CO 0.30 -0.66 -0.24 0.21 1.83 0.00 0.00 175.22 176.66 1z3k s LYS 52 N 2.46 2.77 -0.25 10.12 2.20 -1.26 -1.50 119.74 134.27 1z3k s LYS 52 Ca 0.10 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1z3k s LYS 52 Cb -0.15 -2.24 0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1z3k s LYS 52 CO -0.14 0.31 -0.12 0.08 -0.36 0.00 0.00 175.35 175.12 1z3k s VAL 53 N 0.03 2.20 -0.01 4.02 1.01 0.11 -3.38 120.40 124.39 1z3k s VAL 53 Ca -0.09 -1.50 0.07 0.00 0.00 0.00 0.00 61.98 60.45 1z3k s VAL 53 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1z3k s VAL 53 CO 0.06 0.06 -0.22 -1.58 0.00 0.00 0.00 175.10 173.43 1z3k s GLN 54 N 1.14 1.72 -0.43 2.72 2.00 -0.95 0.58 119.66 126.44 1z3k s GLN 54 Ca -0.06 -0.79 -0.26 0.00 -2.00 0.00 0.00 55.36 52.25 1z3k s GLN 54 Cb -0.19 -1.68 0.02 0.00 0.80 0.00 0.00 33.01 31.97 1z3k s GLN 54 CO -0.06 0.46 0.94 -1.17 -0.50 0.00 0.00 175.29 174.96 1z3k s LEU 55 N -0.56 3.97 -0.10 3.68 1.98 -1.15 0.73 118.68 127.23 1z3k s LEU 55 Ca 0.08 0.29 -0.00 0.00 -2.89 0.00 0.00 54.13 51.61 1z3k s LEU 55 Cb -0.08 -3.25 -0.03 0.00 0.66 0.00 0.00 46.19 43.49 1z3k s LEU 55 CO -0.01 -1.01 -0.08 0.54 -1.89 0.00 0.00 176.35 173.90 1z3k s VAL 56 N 3.73 3.56 -0.86 1.68 0.11 0.36 -4.75 120.40 124.23 1z3k s VAL 56 Ca 0.38 -0.51 -0.19 0.00 -2.93 0.00 0.00 61.98 58.73 1z3k s VAL 56 Cb -0.10 -2.48 0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1z3k s VAL 56 CO 0.24 0.56 0.36 0.47 -3.33 0.00 0.00 175.10 173.40 1z3k n ASP 57 N 2.81 -2.04 -2.41 3.54 9.92 -1.26 0.28 116.55 127.38 1z3k n ASP 57 Ca -0.18 -0.88 -0.21 0.00 -0.53 0.00 0.00 54.79 53.00 1z3k n ASP 57 Cb 0.53 -1.06 -0.00 0.00 -0.64 0.00 0.00 41.12 39.94 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1z3k n ASN 58 N -1.26 -5.86 -4.18 -2.24 4.05 -1.26 -4.98 115.26 99.53 1z3k n ASN 58 Ca -0.10 -0.05 -0.14 0.00 0.45 0.00 0.00 54.58 54.74 1z3k n ASN 58 Cb 0.39 -4.85 -0.11 0.00 1.23 0.00 0.00 39.78 36.44 1z3k n ASN 58 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1z3k s VAL 59 N -3.04 0.91 -0.28 3.44 0.11 0.79 -5.11 120.40 117.22 1z3k s VAL 59 Ca 0.03 -1.69 -0.10 0.00 -2.93 0.00 0.00 61.98 57.29 1z3k s VAL 59 Cb -0.01 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1z3k s VAL 59 CO 0.04 -0.60 0.17 -0.31 -3.33 0.00 0.00 175.10 171.07 1z3k s TYR 60 N -2.61 3.20 -0.10 1.54 2.02 -0.83 0.14 117.35 120.69 1z3k s TYR 60 Ca 0.06 -0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 56.56 1z3k s TYR 60 Cb -0.02 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 1z3k s TYR 60 CO -0.00 -0.22 0.46 0.00 -1.57 0.00 0.00 175.55 174.21 1z3k s ILE 62 N 0.35 -0.07 -0.88 0.00 -1.09 0.71 -2.23 121.20 117.99 1z3k s ILE 62 Ca 0.25 -0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.51 1z3k s ILE 62 Cb -0.15 -0.55 -0.05 0.00 -1.58 0.00 0.00 42.46 40.13 1z3k s ILE 62 CO 0.10 -0.23 0.78 0.61 -1.23 0.00 0.00 174.94 174.97 1z3k n GLY 63 N 5.27 -0.93 2.95 6.18 0.00 -1.22 -2.92 105.19 114.53 1z3k n GLY 63 Ca -0.07 0.46 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 1z3k n GLY 63 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1z3k n GLN 64 N -2.83 -3.10 -4.08 1.61 -0.06 -1.26 -4.93 117.38 102.72 1z3k n GLN 64 Ca -0.05 0.57 -0.10 0.00 -2.00 0.00 0.00 57.00 55.41 1z3k n GLN 64 Cb 0.59 -5.25 -0.09 0.00 -4.06 0.00 0.00 30.24 21.44 1z3k n GLN 64 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1z3k s ARG 65 N -5.58 1.12 -0.14 3.69 3.00 -1.15 -5.16 118.95 114.74 1z3k s ARG 65 Ca 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 55.73 54.59 1z3k s ARG 65 Cb -0.12 0.32 -0.00 0.00 0.00 0.00 0.00 34.95 35.15 1z3k s ARG 65 CO 0.28 -0.38 -0.15 1.03 0.00 0.00 0.00 175.30 176.07 1z3k s ARG 66 N -4.04 3.24 0.08 3.54 1.81 -1.26 -0.20 118.95 122.12 1z3k s ARG 66 Ca 0.25 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 1z3k s ARG 66 Cb 0.05 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 31.91 1z3k s ARG 66 CO 0.04 0.08 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.62 1z3k s PHE 67 N 0.66 0.77 -0.45 -0.53 0.08 0.25 -4.94 117.98 113.82 1z3k s PHE 67 Ca -0.08 -0.97 -0.03 0.00 0.12 0.00 0.00 56.93 55.98 1z3k s PHE 67 Cb -0.16 -0.47 0.17 0.00 -0.57 0.00 0.00 43.02 41.99 1z3k s PHE 67 CO 0.02 -0.23 2.40 1.58 -0.10 0.00 0.00 175.22 178.90 1z3k n HIS 68 N 0.01 1.81 -3.84 0.36 -0.00 -1.26 -1.97 115.22 110.34 1z3k n HIS 68 Ca -0.13 -2.07 -0.10 0.00 -0.00 0.00 0.00 57.72 55.42 1z3k n HIS 68 Cb 0.61 -1.23 -0.08 0.00 -0.00 0.00 0.00 29.99 29.29 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1z3k s THR 69 N -2.68 0.11 -0.30 3.57 -1.32 -1.26 -5.02 115.64 108.74 1z3k s THR 69 Ca 0.50 -0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 59.93 1z3k s THR 69 Cb 0.35 -0.99 0.17 0.00 -1.51 0.00 0.00 72.50 70.52 1z3k s THR 69 CO -0.14 -0.51 0.97 -0.32 -2.21 0.00 0.00 174.62 172.41 1z3k s MET 70 N -2.81 0.28 0.00 7.08 1.75 -1.26 -4.57 119.30 119.77 1z3k s MET 70 Ca -0.03 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 1z3k s MET 70 Cb 0.00 0.33 0.00 0.00 2.84 0.00 0.00 34.83 38.00 1z3k s MET 70 CO -0.05 -0.21 0.00 -3.47 -0.65 0.00 0.00 175.02 170.63 1z3k n ASP 71 N 5.26 0.00 0.04 1.11 2.03 -1.26 -4.62 116.55 119.10 1z3k n ASP 71 Ca -0.07 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.35 1z3k n ASP 71 Cb 0.53 -0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.78 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1z3k n GLU 72 N -1.85 0.57 0.00 -0.67 -0.58 -1.26 -3.90 120.64 112.95 1z3k n GLU 72 Ca 0.00 -0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.82 1z3k n GLU 72 Cb 0.00 -1.64 0.57 0.00 -0.57 0.00 0.00 31.44 29.79 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1z3k n LEU 73 N -2.36 0.00 -0.09 -4.62 -0.00 -1.26 -2.47 117.00 106.21 1z3k n LEU 73 Ca -0.02 0.50 0.13 0.00 -0.00 0.00 0.00 56.01 56.62 1z3k n LEU 73 Cb 0.54 -0.50 0.40 0.00 -0.00 0.00 0.00 43.42 43.86 1z3k n LEU 73 CO 0.43 -0.04 0.65 0.52 -0.00 0.00 0.00 177.39 178.95 1z3k n VAL 74 N -1.50 0.00 0.00 1.47 0.31 -1.25 0.22 118.33 117.57 1z3k n VAL 74 Ca 0.06 -0.05 -0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1z3k n VAL 74 Cb 0.31 0.13 -0.11 0.00 -0.91 0.00 0.00 33.84 33.27 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1z3k n GLU 75 N -1.15 0.63 -0.52 5.55 -0.58 -1.03 -4.62 120.64 118.92 1z3k n GLU 75 Ca 0.09 0.17 -0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1z3k n GLU 75 Cb 0.33 -1.75 -0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1z3k n GLU 75 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1z3k n HIS 76 N -2.85 0.00 -3.81 -0.32 -0.00 -1.23 -5.06 115.22 101.95 1z3k n HIS 76 Ca -0.14 -0.02 -0.27 0.00 0.46 0.00 0.00 57.72 57.76 1z3k n HIS 76 Cb 0.90 0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.95 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1z3k n TYR 77 N 0.00 -1.98 0.00 1.57 4.11 0.59 -4.91 117.16 116.55 1z3k n TYR 77 Ca -0.01 0.73 0.00 0.00 -0.00 0.00 0.00 57.90 58.62 1z3k n TYR 77 Cb 0.56 -2.83 0.00 0.00 -0.00 0.00 0.00 39.34 37.07 1z3k n TYR 77 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1z3k n LYS 78 N -2.99 0.00 -3.14 -3.48 5.02 -1.23 -4.20 118.16 108.15 1z3k n LYS 78 Ca -0.28 0.40 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 1z3k n LYS 78 Cb 0.67 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 1z3k n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1z3k n LYS 79 N -1.55 2.28 -4.07 1.97 4.01 -1.26 -5.08 118.16 114.47 1z3k n LYS 79 Ca 0.00 -4.30 -0.26 0.00 -0.51 0.00 0.00 58.31 53.24 1z3k n LYS 79 Cb 0.00 -2.01 -0.05 0.00 -0.51 0.00 0.00 35.03 32.46 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1z3k s ALA 80 N -2.75 3.62 -1.91 7.82 0.00 -1.26 -4.87 121.76 122.42 1z3k s ALA 80 Ca 0.43 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1z3k s ALA 80 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1z3k s ALA 80 CO -0.09 0.50 0.30 -0.35 0.00 0.00 0.00 175.76 176.12 1z3k n PRO 81 N -0.39 0.31 -1.71 0.00 -0.04 -1.26 -4.76 135.00 127.14 1z3k n PRO 81 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1z3k n PRO 81 Cb 0.55 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.91 2.17 0.11 0.52 1.01 -1.26 -4.92 121.20 116.93 1z3k s ILE 82 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1z3k s ILE 82 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1z3k s ILE 82 CO 0.00 0.00 -0.11 -0.36 0.00 0.00 0.00 174.94 174.47 1z3k s PHE 83 N 1.74 1.13 -0.08 3.97 0.08 -1.01 -4.90 117.98 118.90 1z3k s PHE 83 Ca 0.77 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 57.20 1z3k s PHE 83 Cb -0.49 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1z3k s PHE 83 CO 0.34 0.03 -0.17 0.99 -0.10 0.00 0.00 175.22 176.30 1z3k s THR 84 N -2.51 2.75 -0.13 0.64 2.01 -1.26 0.16 115.64 117.30 1z3k s THR 84 Ca 0.07 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 1z3k s THR 84 Cb -0.02 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1z3k s THR 84 CO 0.00 0.56 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.92 1z3k s SER 85 N -0.16 4.96 0.53 3.53 0.15 0.33 -4.93 113.70 118.11 1z3k s SER 85 Ca -0.02 -0.04 0.45 0.00 0.70 0.00 0.00 55.95 57.04 1z3k s SER 85 Cb -0.14 -1.67 1.53 0.00 -1.71 0.00 0.00 66.02 64.04 1z3k s SER 85 CO 0.04 0.24 1.43 -1.84 1.20 0.00 0.00 173.24 174.30 1z3k n GLU 86 N 3.09 0.00 -0.34 5.44 0.00 -1.26 0.74 120.64 128.31 1z3k n GLU 86 Ca -0.18 1.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.94 1z3k n GLU 86 Cb 0.53 -2.34 0.03 0.00 0.00 0.00 0.00 31.44 29.65 1z3k n GLU 86 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1z3k n HIS 87 N -3.71 0.59 -1.73 -1.84 -0.00 -1.26 -4.78 115.22 102.49 1z3k n HIS 87 Ca 0.39 -0.91 -0.17 0.00 0.46 0.00 0.00 57.72 57.49 1z3k n HIS 87 Cb 1.84 -0.46 -0.05 0.00 -0.12 0.00 0.00 29.99 31.20 1z3k n HIS 87 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1z3k n GLY 88 N 0.40 1.03 3.26 1.57 0.00 0.23 -4.93 105.19 106.74 1z3k n GLY 88 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1z3k n GLY 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1z3k s GLU 89 N -3.84 2.88 0.01 1.61 -1.05 -0.90 -4.90 118.70 112.51 1z3k s GLU 89 Ca 0.00 -0.97 0.06 0.00 -0.15 0.00 0.00 54.97 53.91 1z3k s GLU 89 Cb 0.00 -3.18 -0.02 0.00 -0.44 0.00 0.00 34.13 30.50 1z3k s GLU 89 CO 0.00 -0.45 -0.17 0.15 0.95 0.00 0.00 175.26 175.74 1z3k s LYS 90 N 1.39 1.26 -0.72 -4.83 3.01 -1.26 0.12 119.74 118.71 1z3k s LYS 90 Ca 0.00 -0.72 -0.26 0.00 -1.01 0.00 0.00 55.97 53.98 1z3k s LYS 90 Cb -0.17 -1.27 0.01 0.00 -1.01 0.00 0.00 37.83 35.38 1z3k s LYS 90 CO -0.01 0.33 1.56 -1.17 0.51 0.00 0.00 175.35 176.58 1z3k s LEU 91 N -0.76 3.24 0.05 3.17 0.20 0.42 -4.88 118.68 120.11 1z3k s LEU 91 Ca 0.06 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.70 1z3k s LEU 91 Cb -0.07 -2.55 -0.02 0.00 -0.43 0.00 0.00 46.19 43.11 1z3k s LEU 91 CO 0.00 -2.08 -0.17 -0.31 -0.29 0.00 0.00 176.35 173.50 1z3k s TYR 92 N 7.27 1.51 -1.27 5.38 1.51 -1.26 -2.42 117.35 128.08 1z3k s TYR 92 Ca 0.51 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 56.10 1z3k s TYR 92 Cb -0.09 -0.89 0.18 0.00 -0.11 0.00 0.00 41.96 41.05 1z3k s TYR 92 CO 0.14 0.08 1.84 1.28 -1.11 0.00 0.00 175.55 177.78 1z3k n LEU 93 N 1.75 6.61 0.00 -1.29 4.77 -1.26 -4.64 117.00 122.95 1z3k n LEU 93 Ca -0.18 -4.68 0.00 0.00 -0.03 0.00 0.00 56.01 51.12 1z3k n LEU 93 Cb 0.54 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1z3k n LEU 93 CO 0.23 1.39 0.00 0.55 -1.33 0.00 0.00 177.39 178.23 1z3k n VAL 94 N 3.21 0.00 -3.83 4.08 3.14 -1.26 -4.72 118.33 118.95 1z3k n VAL 94 Ca 0.39 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1z3k n VAL 94 Cb 0.36 -0.71 0.01 0.00 -1.06 0.00 0.00 33.84 32.44 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 0.00 0.75 0.03 1.45 3.00 -1.06 -4.85 118.95 118.28 1z3k s ARG 95 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 55.73 54.96 1z3k s ARG 95 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 34.95 35.13 1z3k s ARG 95 CO 0.00 -0.35 1.13 0.00 0.00 0.00 0.00 175.30 176.08 1z3k s ALA 96 N -2.32 3.33 0.39 2.13 0.00 -1.25 -3.93 121.76 120.13 1z3k s ALA 96 Ca 0.21 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1z3k s ALA 96 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1z3k s ALA 96 CO 0.01 -0.41 0.00 1.28 0.00 0.00 0.00 175.76 176.64 1z3k n LEU 97 N 4.05 -0.74 0.00 0.00 4.32 -1.26 -4.95 117.00 118.41 1z3k n LEU 97 Ca 0.08 1.68 0.01 0.00 -0.02 0.00 0.00 56.01 57.76 1z3k n LEU 97 Cb 0.48 -4.17 0.06 0.00 -1.62 0.00 0.00 43.42 38.17 1z3k n LEU 97 CO 0.54 -3.07 0.31 0.00 -1.22 0.00 0.00 177.39 173.95