#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 3.39 0.00 2.89 -0.58 -1.26 -4.91 120.64 120.16 1z3k n GLU 2 Ca 0.00 -4.67 0.00 0.00 -0.42 0.00 0.00 57.16 52.07 1z3k n GLU 2 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 1z3k n GLU 2 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1z3k n TRP 3 N 0.76 0.00 -2.92 -0.32 4.27 -1.26 -4.08 117.44 113.89 1z3k n TRP 3 Ca 0.30 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.50 1z3k n TRP 3 Cb 0.37 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.28 1z3k n TRP 3 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1z3k s TYR 4 N 0.00 3.55 0.00 -2.67 6.14 -1.26 -4.36 117.35 118.75 1z3k s TYR 4 Ca 0.00 1.36 0.00 0.00 0.64 0.00 0.00 57.07 59.07 1z3k s TYR 4 Cb 0.00 -2.94 0.00 0.00 0.42 0.00 0.00 41.96 39.44 1z3k s TYR 4 CO 0.00 -0.03 0.00 0.98 0.64 0.00 0.00 175.55 177.14 1z3k n TYR 5 N 4.24 0.00 0.00 4.97 9.36 -1.26 -3.49 117.16 130.99 1z3k n TYR 5 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1z3k n TYR 5 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.00 0.39 3.09 2.98 0.00 -1.26 -5.11 105.19 105.28 1z3k n GLY 6 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -1.00 0.15 1.61 4.22 -1.23 -4.90 114.94 113.79 1z3k s ASN 7 Ca 0.00 0.55 -0.14 0.00 -2.14 0.00 0.00 52.86 51.12 1z3k s ASN 7 Cb 0.00 1.87 0.02 0.00 1.28 0.00 0.00 41.25 44.42 1z3k s ASN 7 CO 0.00 -0.28 0.38 -0.69 -2.04 0.00 0.00 177.10 174.47 1z3k s VAL 8 N 2.77 0.07 -0.01 3.54 1.01 0.21 -4.08 120.40 123.91 1z3k s VAL 8 Ca 0.17 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1z3k s VAL 8 Cb -0.14 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.90 1z3k s VAL 8 CO -0.22 -0.30 1.27 -0.89 0.00 0.00 0.00 175.10 174.97 1z3k s THR 9 N -3.86 0.00 0.00 3.92 2.01 -1.26 -3.82 115.64 112.62 1z3k s THR 9 Ca 0.08 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1z3k s THR 9 Cb 0.02 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1z3k s THR 9 CO -0.07 0.00 0.00 -2.11 -0.69 0.00 0.00 174.62 171.75 1z3k n ARG 10 N -0.90 0.00 -0.10 4.92 1.85 -1.26 -3.86 116.66 117.32 1z3k n ARG 10 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.71 1z3k n ARG 10 Cb 0.59 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.91 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 0.08 2.89 -0.00 -1.26 -4.01 115.22 112.92 1z3k n HIS 11 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1z3k n HIS 11 Cb 0.00 -0.73 -0.08 0.00 -0.00 0.00 0.00 29.99 29.18 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 0.38 -0.78 1.57 4.20 -1.89 -2.72 115.11 115.54 1z3k h GLN 12 Ca -0.47 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 57.74 1z3k h GLN 12 Cb 1.56 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.46 1z3k h GLN 12 CO -0.18 1.16 0.39 0.00 -0.67 0.00 0.00 178.83 179.53 1z3k h ALA 13 N 0.66 1.00 -0.28 3.87 0.00 -1.80 -2.40 119.26 120.32 1z3k h ALA 13 Ca -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1z3k h ALA 13 Cb 1.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1z3k h ALA 13 CO 0.18 0.55 -0.04 1.05 0.00 0.00 0.00 179.25 181.00 1z3k h GLU 14 N 1.09 0.53 0.00 0.00 4.11 -1.69 0.92 114.58 119.54 1z3k h GLU 14 Ca 0.27 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1z3k h GLU 14 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1z3k h GLU 14 CO -0.04 0.71 0.10 0.00 0.07 0.00 0.00 179.01 179.85 1z3k n ALA 16 N -1.50 1.89 -0.33 0.00 0.00 -0.60 -4.73 120.51 115.23 1z3k n ALA 16 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.20 1z3k n ALA 16 Cb 0.11 0.24 0.05 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 -2.35 2.19 -0.56 0.00 4.77 0.31 -4.72 117.00 116.64 1z3k n LEU 17 Ca -0.08 -2.33 0.45 0.00 -0.03 0.00 0.00 56.01 54.01 1z3k n LEU 17 Cb 0.63 -0.15 0.75 0.00 -2.33 0.00 0.00 43.42 42.32 1z3k n LEU 17 CO 0.08 0.58 1.37 -1.13 -1.33 0.00 0.00 177.39 176.95 1z3k h ASN 18 N 0.14 0.10 0.20 -1.43 -0.73 0.42 2.11 115.58 116.39 1z3k h ASN 18 Ca 0.00 0.06 -0.30 0.00 1.87 0.00 0.00 56.30 57.93 1z3k h ASN 18 Cb 0.67 0.05 0.03 0.00 0.27 0.00 0.00 38.32 39.34 1z3k h ASN 18 CO 0.01 -0.08 -1.25 -0.08 -0.37 0.00 0.00 177.43 175.66 1z3k h GLU 19 N 0.03 0.58 -2.05 6.67 4.57 -1.85 -3.50 114.58 119.03 1z3k h GLU 19 Ca 0.85 -0.79 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1z3k h GLU 19 Cb 3.12 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 31.97 1z3k h GLU 19 CO -0.18 1.35 0.00 -2.13 -1.18 0.00 0.00 179.01 176.88 1z3k n ARG 20 N -3.76 0.00 -0.08 1.92 0.63 0.71 -5.00 116.66 111.08 1z3k n ARG 20 Ca -0.13 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1z3k n ARG 20 Cb 0.99 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 33.22 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1z3k n GLY 21 N 0.30 0.85 3.22 5.14 0.00 -1.26 -4.95 105.19 108.49 1z3k n GLY 21 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.91 2.70 0.00 1.61 -7.23 -1.26 -4.98 120.40 109.33 1z3k s VAL 22 Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1z3k s VAL 22 Cb 0.00 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1z3k s VAL 22 CO 0.00 0.49 0.00 -1.84 -0.31 0.00 0.00 175.10 173.44 1z3k n GLU 23 N 4.58 0.00 -2.72 4.82 0.28 -1.26 -3.11 120.64 123.23 1z3k n GLU 23 Ca -0.19 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.75 1z3k n GLU 23 Cb 0.51 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.43 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 -0.79 3.70 -1.84 0.00 -1.26 -4.99 105.19 100.00 1z3k n GLY 24 Ca 0.00 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.55 6.33 -0.01 1.61 1.47 -1.18 -4.76 116.67 119.57 1z3k s ASP 25 Ca 0.29 0.38 0.03 0.00 1.18 0.00 0.00 52.55 54.42 1z3k s ASP 25 Cb 0.17 -2.16 -0.01 0.00 -0.34 0.00 0.00 42.92 40.58 1z3k s ASP 25 CO -0.15 0.06 -0.08 0.12 0.68 0.00 0.00 175.17 175.79 1z3k s PHE 26 N 0.81 0.77 -0.10 2.11 2.19 -1.24 -3.44 117.98 119.08 1z3k s PHE 26 Ca 0.14 -0.15 -0.17 0.00 0.33 0.00 0.00 56.93 57.08 1z3k s PHE 26 Cb -0.13 -0.50 0.04 0.00 -1.31 0.00 0.00 43.02 41.12 1z3k s PHE 26 CO 0.04 -0.02 0.43 -0.48 1.83 0.00 0.00 175.22 177.02 1z3k s LEU 27 N -0.16 0.37 0.03 6.12 2.34 -1.10 -0.90 118.68 125.38 1z3k s LEU 27 Ca 0.03 0.59 0.09 0.00 0.06 0.00 0.00 54.13 54.89 1z3k s LEU 27 Cb -0.04 1.57 -0.03 0.00 -0.56 0.00 0.00 46.19 47.14 1z3k s LEU 27 CO -0.00 -0.32 -0.26 -0.63 -1.06 0.00 0.00 176.35 174.08 1z3k s ILE 28 N -0.50 2.08 0.10 1.48 1.09 -1.25 -1.70 121.20 122.50 1z3k s ILE 28 Ca -0.06 -1.30 0.03 0.00 -1.10 0.00 0.00 60.65 58.21 1z3k s ILE 28 Cb -0.03 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 1z3k s ILE 28 CO 0.03 0.41 -0.08 0.00 -0.10 0.00 0.00 174.94 175.20 1z3k s ARG 29 N -1.07 0.82 0.39 2.79 1.70 0.12 0.68 118.95 124.38 1z3k s ARG 29 Ca 0.11 -1.21 -0.23 0.00 -0.47 0.00 0.00 55.73 53.93 1z3k s ARG 29 Cb -0.10 -0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 33.80 1z3k s ARG 29 CO 0.01 0.04 0.96 -0.51 -1.08 0.00 0.00 175.30 174.72 1z3k s ASP 30 N -2.65 7.06 0.11 -2.89 1.11 -1.26 -1.73 116.67 116.42 1z3k s ASP 30 Ca 0.07 1.79 0.07 0.00 0.18 0.00 0.00 52.55 54.66 1z3k s ASP 30 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1z3k s ASP 30 CO -0.02 -0.27 -0.11 -0.55 1.18 0.00 0.00 175.17 175.40 1z3k s SER 31 N -1.90 4.35 0.00 0.27 0.15 -0.85 -4.94 113.70 110.78 1z3k s SER 31 Ca 0.57 -0.40 0.13 0.00 0.70 0.00 0.00 55.95 56.95 1z3k s SER 31 Cb -0.14 -0.81 -0.20 0.00 -1.71 0.00 0.00 66.02 63.15 1z3k s SER 31 CO 0.19 0.18 0.78 -0.33 1.20 0.00 0.00 173.24 175.25 1z3k h GLU 32 N 3.62 0.00 -0.77 5.44 5.08 -1.97 -3.34 114.58 122.62 1z3k h GLU 32 Ca -0.49 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.10 1z3k h GLU 32 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1z3k h GLU 32 CO 0.52 0.51 0.57 0.66 -1.00 0.00 0.00 179.01 180.27 1z3k h SER 33 N 0.00 0.00 -5.07 1.42 4.64 -1.98 -3.42 113.55 109.14 1z3k h SER 33 Ca -0.23 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1z3k h SER 33 Cb 1.90 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.81 1z3k h SER 33 CO 0.08 0.00 -0.53 -0.44 -0.87 0.00 0.00 176.83 175.07 1z3k s SER 34 N -5.76 0.17 0.23 4.97 0.01 -1.26 -5.06 113.70 107.01 1z3k s SER 34 Ca -0.05 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1z3k s SER 34 Cb 0.21 0.22 0.25 0.00 0.21 0.00 0.00 66.02 66.90 1z3k s SER 34 CO 0.75 -0.48 1.59 1.55 0.41 0.00 0.00 173.24 177.05 1z3k h PRO 35 N 3.77 0.44 -2.12 12.44 0.13 -1.81 -3.30 132.00 141.55 1z3k h PRO 35 Ca -0.32 -0.24 -0.62 0.00 -0.87 0.00 0.00 66.00 63.95 1z3k h PRO 35 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1z3k h PRO 35 CO 0.49 0.82 -0.43 0.43 -0.23 0.00 0.00 178.00 179.08 1z3k n SER 36 N -3.99 4.93 -4.36 1.44 7.64 -1.26 -4.97 113.62 113.06 1z3k n SER 36 Ca -0.02 -3.70 -0.32 0.00 1.01 0.00 0.00 58.87 55.84 1z3k n SER 36 Cb 0.54 -0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 1z3k n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1z3k s ASP 37 N -3.20 3.59 -0.04 6.43 -1.08 -1.24 -3.14 116.67 117.99 1z3k s ASP 37 Ca 0.48 -0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 52.11 1z3k s ASP 37 Cb 0.30 -0.99 0.01 0.00 -1.46 0.00 0.00 42.92 40.79 1z3k s ASP 37 CO -0.16 0.26 0.10 -0.36 0.52 0.00 0.00 175.17 175.54 1z3k s PHE 38 N -0.26 -0.11 0.01 -5.34 0.08 1.00 -2.00 117.98 111.35 1z3k s PHE 38 Ca 0.00 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.37 1z3k s PHE 38 Cb -0.13 0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1z3k s PHE 38 CO 0.03 -0.06 -0.14 0.45 -0.10 0.00 0.00 175.22 175.41 1z3k s SER 39 N 0.10 1.60 -0.08 1.36 0.15 -0.70 0.13 113.70 116.25 1z3k s SER 39 Ca -0.00 -0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 1z3k s SER 39 Cb -0.01 -0.14 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 0.00 173.24 175.30 1z3k s VAL 40 N -0.54 -0.01 -0.02 4.45 0.11 -0.91 0.11 120.40 123.59 1z3k s VAL 40 Ca 0.04 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 1z3k s VAL 40 Cb -0.06 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1z3k s VAL 40 CO 0.00 0.01 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.11 1z3k s SER 41 N 0.35 2.73 0.16 3.54 0.01 -0.69 -2.63 113.70 117.18 1z3k s SER 41 Ca -0.02 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 56.87 1z3k s SER 41 Cb -0.03 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 1z3k s SER 41 CO -0.01 0.27 -0.12 -0.22 0.41 0.00 0.00 173.24 173.57 1z3k s LEU 42 N -0.46 2.52 0.29 2.44 2.96 -0.93 -2.71 118.68 122.80 1z3k s LEU 42 Ca 0.06 -0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1z3k s LEU 42 Cb -0.10 -0.49 -0.08 0.00 0.50 0.00 0.00 46.19 46.02 1z3k s LEU 42 CO -0.00 -0.25 0.67 -1.59 -1.32 0.00 0.00 176.35 173.86 1z3k s LYS 43 N -3.56 3.92 0.20 1.98 0.00 -1.22 -1.02 119.74 120.04 1z3k s LYS 43 Ca 0.18 0.52 0.02 0.00 0.00 0.00 0.00 55.97 56.68 1z3k s LYS 43 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 37.83 35.32 1z3k s LYS 43 CO 0.03 0.21 0.06 0.00 0.00 0.00 0.00 175.35 175.65 1z3k n ALA 44 N -0.31 0.26 -1.80 0.59 0.00 0.36 -4.73 120.51 114.88 1z3k n ALA 44 Ca 0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.26 1z3k n ALA 44 Cb 0.53 0.65 -0.09 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.21 4.09 0.00 0.00 0.01 -1.26 -3.24 113.70 111.09 1z3k s SER 45 Ca 0.08 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1z3k s SER 45 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1z3k s SER 45 CO 0.06 -4.06 0.00 0.61 0.41 0.00 0.00 173.24 170.26 1z3k n GLY 46 N 6.04 3.04 3.77 3.44 0.00 -1.26 -4.98 105.19 115.24 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 1.25 0.00 0.00 0.00 173.32 174.57 1z3k s LYS 47 N -0.10 2.51 -0.20 1.61 2.36 -1.20 -4.93 119.74 119.80 1z3k s LYS 47 Ca 0.00 -1.42 -0.05 0.00 -2.55 0.00 0.00 55.97 51.95 1z3k s LYS 47 Cb 0.00 -2.29 -0.02 0.00 -1.05 0.00 0.00 37.83 34.46 1z3k s LYS 47 CO 0.00 0.15 -0.00 0.54 1.55 0.00 0.00 175.35 177.59 1z3k s ASN 48 N -3.88 4.83 -0.47 1.43 2.20 -1.26 0.14 114.94 117.92 1z3k s ASN 48 Ca 0.38 -0.20 -0.21 0.00 -0.94 0.00 0.00 52.86 51.89 1z3k s ASN 48 Cb -0.04 -1.82 0.04 0.00 -2.00 0.00 0.00 41.25 37.42 1z3k s ASN 48 CO 0.24 0.06 0.67 -0.54 -2.94 0.00 0.00 177.10 174.59 1z3k s LYS 49 N 1.00 3.23 0.19 3.55 1.02 -0.19 -4.91 119.74 123.64 1z3k s LYS 49 Ca 0.02 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1z3k s LYS 49 Cb -0.14 -4.01 -0.08 0.00 -0.52 0.00 0.00 37.83 33.08 1z3k s LYS 49 CO 0.02 -1.13 0.64 -1.58 -0.92 0.00 0.00 175.35 172.37 1z3k s HIS 50 N 2.89 3.61 -0.13 3.18 2.46 -1.26 -2.18 115.29 123.87 1z3k s HIS 50 Ca 0.21 1.22 -0.09 0.00 0.47 0.00 0.00 55.06 56.87 1z3k s HIS 50 Cb -0.15 -2.49 0.04 0.00 -0.13 0.00 0.00 32.58 29.85 1z3k s HIS 50 CO 0.17 0.37 0.32 -0.06 -2.47 0.00 0.00 174.74 173.06 1z3k s PHE 51 N -1.52 -0.41 -0.13 3.88 0.08 -1.08 -4.91 117.98 113.89 1z3k s PHE 51 Ca 0.41 0.94 0.03 0.00 0.12 0.00 0.00 56.93 58.43 1z3k s PHE 51 Cb -0.15 0.13 0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1z3k s PHE 51 CO 0.20 -0.23 -0.21 0.21 -0.10 0.00 0.00 175.22 175.08 1z3k s LYS 52 N 0.86 2.90 -0.35 0.44 2.20 -1.26 -2.13 119.74 122.39 1z3k s LYS 52 Ca -0.06 -0.82 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1z3k s LYS 52 Cb -0.07 -2.32 0.04 0.00 -1.51 0.00 0.00 37.83 33.98 1z3k s LYS 52 CO -0.06 0.02 0.14 0.08 -0.36 0.00 0.00 175.35 175.18 1z3k s VAL 53 N 0.73 4.04 0.05 4.02 1.01 0.35 0.12 120.40 130.72 1z3k s VAL 53 Ca -0.10 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 60.90 1z3k s VAL 53 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1z3k s VAL 53 CO 0.01 -0.21 -0.22 -1.58 0.00 0.00 0.00 175.10 173.10 1z3k s GLN 54 N 1.45 1.42 -0.47 2.72 -0.44 0.90 -0.00 119.66 125.22 1z3k s GLN 54 Ca -0.00 -1.00 -0.25 0.00 -2.50 0.00 0.00 55.36 51.61 1z3k s GLN 54 Cb -0.20 -1.56 0.03 0.00 -1.64 0.00 0.00 33.01 29.64 1z3k s GLN 54 CO 0.04 0.40 0.92 -1.17 0.50 0.00 0.00 175.29 175.98 1z3k s LEU 55 N -1.28 4.02 -0.10 3.68 1.98 -1.19 0.36 118.68 126.15 1z3k s LEU 55 Ca 0.08 0.05 -0.00 0.00 -2.89 0.00 0.00 54.13 51.37 1z3k s LEU 55 Cb -0.09 -3.15 -0.03 0.00 0.66 0.00 0.00 46.19 43.59 1z3k s LEU 55 CO 0.02 -1.07 -0.08 0.54 -1.89 0.00 0.00 176.35 173.87 1z3k s VAL 56 N 3.77 3.59 -0.88 1.68 0.11 0.17 -4.76 120.40 124.08 1z3k s VAL 56 Ca 0.36 -0.50 -0.23 0.00 -2.93 0.00 0.00 61.98 58.68 1z3k s VAL 56 Cb -0.10 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1z3k s VAL 56 CO 0.25 0.56 0.43 -0.67 -3.33 0.00 0.00 175.10 172.34 1z3k n ASP 57 N 2.75 -2.50 -2.30 3.54 2.03 -1.26 0.27 116.55 119.08 1z3k n ASP 57 Ca -0.18 -0.92 -0.21 0.00 0.52 0.00 0.00 54.79 54.00 1z3k n ASP 57 Cb 0.53 -1.11 -0.02 0.00 -0.72 0.00 0.00 41.12 39.80 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1z3k n ASN 58 N -1.28 -5.86 -4.41 1.67 5.15 -1.26 -4.97 115.26 104.30 1z3k n ASN 58 Ca -0.09 0.02 -0.22 0.00 -0.60 0.00 0.00 54.58 53.69 1z3k n ASN 58 Cb 0.40 -4.89 -0.10 0.00 -0.53 0.00 0.00 39.78 34.66 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 -3.01 1.09 -0.32 3.44 0.11 0.78 -5.10 120.40 117.39 1z3k s VAL 59 Ca 0.00 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.08 1z3k s VAL 59 Cb 0.00 -2.72 0.09 0.00 -1.53 0.00 0.00 36.38 32.22 1z3k s VAL 59 CO 0.00 0.00 0.03 -0.31 -3.33 0.00 0.00 175.10 171.49 1z3k s TYR 60 N -3.30 3.31 0.17 1.54 2.02 0.07 -0.66 117.35 120.50 1z3k s TYR 60 Ca 0.34 -2.65 -0.04 0.00 -0.37 0.00 0.00 57.07 54.35 1z3k s TYR 60 Cb 0.08 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1z3k s TYR 60 CO 0.15 -0.92 0.40 0.00 -1.57 0.00 0.00 175.55 173.61 1z3k s ILE 62 N -1.76 0.08 0.00 0.00 1.01 0.18 -0.07 121.20 120.64 1z3k s ILE 62 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1z3k s ILE 62 Cb -0.12 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.25 1z3k s ILE 62 CO 0.26 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1z3k n GLY 63 N 3.27 0.25 2.71 6.18 0.00 0.33 -0.66 105.19 117.26 1z3k n GLY 63 Ca -0.15 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 1.52 -4.00 1.61 1.13 -1.26 -4.61 117.38 111.77 1z3k n GLN 64 Ca 0.00 -2.55 -0.10 0.00 -1.94 0.00 0.00 57.00 52.41 1z3k n GLN 64 Cb 0.00 -0.76 -0.07 0.00 0.11 0.00 0.00 30.24 29.53 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 -2.14 1.28 -0.11 -1.09 0.52 0.17 -5.16 118.95 112.40 1z3k s ARG 65 Ca 0.20 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1z3k s ARG 65 Cb 0.37 0.39 -0.01 0.00 0.52 0.00 0.00 34.95 36.22 1z3k s ARG 65 CO -0.08 -0.48 -0.17 1.03 0.02 0.00 0.00 175.30 175.62 1z3k s ARG 66 N -4.01 3.21 0.09 3.54 1.81 -1.26 -0.65 118.95 121.68 1z3k s ARG 66 Ca 0.21 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1z3k s ARG 66 Cb 0.03 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.98 1z3k s ARG 66 CO 0.04 0.24 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.78 1z3k s PHE 67 N 0.26 0.82 -0.44 -0.53 0.08 0.34 -4.94 117.98 113.58 1z3k s PHE 67 Ca -0.12 -0.93 -0.01 0.00 0.12 0.00 0.00 56.93 55.99 1z3k s PHE 67 Cb -0.16 -0.49 0.33 0.00 -0.57 0.00 0.00 43.02 42.13 1z3k s PHE 67 CO 0.06 -0.19 1.97 -2.39 -0.10 0.00 0.00 175.22 174.58 1z3k n HIS 68 N 0.01 2.21 -3.68 0.36 1.44 -1.26 -0.75 115.22 113.55 1z3k n HIS 68 Ca -0.13 -2.26 -0.12 0.00 -2.01 0.00 0.00 57.72 53.20 1z3k n HIS 68 Cb 0.61 -1.10 -0.06 0.00 0.12 0.00 0.00 29.99 29.56 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1z3k s THR 69 N -3.17 0.07 -0.30 0.61 -1.32 -1.26 -4.96 115.64 105.31 1z3k s THR 69 Ca 0.44 -0.56 -0.14 0.00 -1.21 0.00 0.00 61.69 60.22 1z3k s THR 69 Cb 0.35 -1.02 0.17 0.00 -1.51 0.00 0.00 72.50 70.49 1z3k s THR 69 CO 0.00 -0.31 0.99 -0.32 -2.21 0.00 0.00 174.62 172.77 1z3k s MET 70 N -2.86 0.27 0.00 7.08 1.75 -1.26 -4.59 119.30 119.69 1z3k s MET 70 Ca -0.03 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1z3k s MET 70 Cb 0.00 0.37 0.00 0.00 2.84 0.00 0.00 34.83 38.04 1z3k s MET 70 CO -0.05 -0.16 0.00 -3.47 -0.65 0.00 0.00 175.02 170.69 1z3k n ASP 71 N 5.13 0.00 0.01 1.11 2.03 -1.26 -4.56 116.55 119.01 1z3k n ASP 71 Ca -0.08 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.34 1z3k n ASP 71 Cb 0.53 -0.01 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.80 0.56 0.17 -0.67 4.71 -1.26 -4.08 120.64 119.28 1z3k n GLU 72 Ca 0.00 -0.11 0.14 0.00 -0.01 0.00 0.00 57.16 57.17 1z3k n GLU 72 Cb 0.00 -1.57 0.54 0.00 -1.01 0.00 0.00 31.44 29.39 1z3k n GLU 72 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1z3k h LEU 73 N 0.00 0.00 -0.15 -4.62 -0.00 -1.91 -2.50 115.31 106.12 1z3k h LEU 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1z3k h LEU 73 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1z3k h LEU 73 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 178.44 178.96 1z3k n VAL 74 N -2.51 0.71 0.31 0.15 0.31 -1.26 0.28 118.33 116.33 1z3k n VAL 74 Ca 0.02 0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.33 1z3k n VAL 74 Cb 0.27 -0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 32.23 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1z3k h GLU 75 N 0.00 -0.78 0.00 5.55 4.57 -1.72 -3.38 114.58 118.83 1z3k h GLU 75 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1z3k h GLU 75 Cb 0.38 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1z3k h GLU 75 CO 0.00 -0.46 -0.04 -2.39 -1.18 0.00 0.00 179.01 174.93 1z3k n HIS 76 N -5.36 0.00 -2.97 0.92 1.44 -1.20 -5.06 115.22 102.98 1z3k n HIS 76 Ca -0.12 -0.32 -0.12 0.00 -2.01 0.00 0.00 57.72 55.15 1z3k n HIS 76 Cb 0.35 -0.04 0.01 0.00 0.12 0.00 0.00 29.99 30.43 1z3k n HIS 76 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1z3k n TYR 77 N -0.37 -3.27 0.04 -1.40 4.01 0.81 -4.98 117.16 112.01 1z3k n TYR 77 Ca 0.02 1.35 -0.01 0.00 -0.16 0.00 0.00 57.90 59.09 1z3k n TYR 77 Cb 0.42 -3.51 -0.01 0.00 -0.31 0.00 0.00 39.34 35.93 1z3k n TYR 77 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1z3k h LYS 78 N 2.27 -0.09 -2.12 -0.72 1.57 -1.87 -3.40 116.57 112.21 1z3k h LYS 78 Ca -0.10 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.12 1z3k h LYS 78 Cb 0.91 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.83 1z3k h LYS 78 CO 0.18 -0.06 -0.88 1.63 -0.57 0.00 0.00 179.45 179.74 1z3k n LYS 79 N -2.42 1.86 -3.64 3.15 4.01 -1.26 -5.10 118.16 114.76 1z3k n LYS 79 Ca -0.01 -4.04 -0.28 0.00 -0.51 0.00 0.00 58.31 53.47 1z3k n LYS 79 Cb 0.04 -1.85 -0.03 0.00 -0.51 0.00 0.00 35.03 32.67 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 -2.37 3.80 -1.90 7.82 0.00 -1.26 -4.90 121.76 122.93 1z3k s ALA 80 Ca 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1z3k s ALA 80 Cb 0.23 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1z3k s ALA 80 CO -0.08 0.43 0.14 -0.35 0.00 0.00 0.00 175.76 175.89 1z3k n PRO 81 N -0.63 0.00 -1.81 0.00 -0.04 -1.26 -4.75 135.00 126.50 1z3k n PRO 81 Ca -0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1z3k n PRO 81 Cb 0.54 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.92 2.07 0.04 0.52 1.01 -1.25 -4.99 121.20 116.69 1z3k s ILE 82 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1z3k s ILE 82 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1z3k s ILE 82 CO 0.00 0.02 0.05 0.12 0.00 0.00 0.00 174.94 175.13 1z3k s PHE 83 N -1.13 0.29 -0.39 3.97 2.19 -1.17 -4.90 117.98 116.85 1z3k s PHE 83 Ca 0.53 -0.66 -0.22 0.00 0.33 0.00 0.00 56.93 56.91 1z3k s PHE 83 Cb -0.46 -0.21 0.01 0.00 -1.31 0.00 0.00 43.02 41.05 1z3k s PHE 83 CO 0.62 -0.36 0.70 0.99 1.83 0.00 0.00 175.22 179.01 1z3k s THR 84 N -2.88 4.80 0.34 0.12 2.01 -1.26 0.47 115.64 119.23 1z3k s THR 84 Ca -0.03 0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.64 1z3k s THR 84 Cb 0.00 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1z3k s THR 84 CO -0.06 -0.45 -0.09 -0.55 -0.69 0.00 0.00 174.62 172.77 1z3k s SER 85 N 1.89 3.61 -1.46 3.53 0.15 0.40 -4.76 113.70 117.06 1z3k s SER 85 Ca 0.27 -1.20 -0.12 0.00 0.70 0.00 0.00 55.95 55.61 1z3k s SER 85 Cb -0.14 -0.33 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1z3k s SER 85 CO 0.17 -0.22 1.04 1.21 1.20 0.00 0.00 173.24 176.65 1z3k n GLU 86 N -0.76 -6.44 0.00 5.44 0.00 -1.26 0.28 120.64 117.90 1z3k n GLU 86 Ca -0.05 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.81 1z3k n GLU 86 Cb 0.63 -5.65 0.00 0.00 0.00 0.00 0.00 31.44 26.42 1z3k n GLU 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1z3k n HIS 87 N -4.80 0.00 -0.13 4.31 8.25 -1.26 -3.78 115.22 117.81 1z3k n HIS 87 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1z3k n HIS 87 Cb 0.54 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.66 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 0.00 2.66 3.85 -1.41 0.00 -1.24 -5.03 105.19 104.02 1z3k n GLY 88 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.02 4.01 -0.05 1.61 4.04 0.14 -4.90 118.70 122.53 1z3k s GLU 89 Ca 0.02 0.60 0.04 0.00 0.04 0.00 0.00 54.97 55.67 1z3k s GLU 89 Cb 0.01 -2.63 -0.00 0.00 0.02 0.00 0.00 34.13 31.54 1z3k s GLU 89 CO 0.00 0.28 -0.17 0.15 -1.84 0.00 0.00 175.26 173.68 1z3k s LYS 90 N -2.62 1.87 -1.04 -4.83 3.01 -1.26 0.15 119.74 115.02 1z3k s LYS 90 Ca 0.48 -0.59 -0.23 0.00 -1.01 0.00 0.00 55.97 54.62 1z3k s LYS 90 Cb -0.12 -1.58 0.05 0.00 -1.01 0.00 0.00 37.83 35.17 1z3k s LYS 90 CO 0.19 0.20 1.46 -0.51 0.51 0.00 0.00 175.35 177.20 1z3k s LEU 91 N 0.17 3.55 -0.03 3.17 1.43 0.18 -4.91 118.68 122.24 1z3k s LEU 91 Ca -0.07 -1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 51.50 1z3k s LEU 91 Cb -0.13 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1z3k s LEU 91 CO 0.03 -1.48 0.07 -0.72 0.23 0.00 0.00 176.35 174.48 1z3k s TYR 92 N 4.89 3.29 -1.07 0.29 -0.85 -1.26 -3.02 117.35 119.61 1z3k s TYR 92 Ca 0.46 0.23 -0.20 0.00 -0.52 0.00 0.00 57.07 57.04 1z3k s TYR 92 Cb 0.00 -1.76 -0.08 0.00 0.38 0.00 0.00 41.96 40.50 1z3k s TYR 92 CO -0.09 0.55 1.96 1.28 -1.52 0.00 0.00 175.55 177.74 1z3k n LEU 93 N 1.43 4.49 0.00 -3.49 4.77 -1.26 -4.54 117.00 118.40 1z3k n LEU 93 Ca -0.15 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 1z3k n LEU 93 Cb 0.53 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1z3k n LEU 93 CO 0.36 -0.36 0.00 0.55 -1.33 0.00 0.00 177.39 176.61 1z3k n VAL 94 N 6.30 0.00 -3.83 4.08 3.14 -1.26 -4.85 118.33 121.90 1z3k n VAL 94 Ca 0.49 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.85 1z3k n VAL 94 Cb 0.42 -0.36 0.01 0.00 -1.06 0.00 0.00 33.84 32.85 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 1.04 -0.25 1.45 3.00 -0.07 -4.81 118.95 119.31 1z3k s ARG 95 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 55.73 54.80 1z3k s ARG 95 Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 34.95 35.25 1z3k s ARG 95 CO 0.00 -0.48 1.28 0.00 0.00 0.00 0.00 175.30 176.10 1z3k s ALA 96 N -2.42 3.48 0.52 2.13 0.00 -1.23 -3.61 121.76 120.63 1z3k s ALA 96 Ca 0.20 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1z3k s ALA 96 Cb -0.01 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.41 1z3k s ALA 96 CO 0.03 -1.53 0.21 -0.48 0.00 0.00 0.00 175.76 173.98 1z3k s LEU 97 N 4.02 2.53 0.00 0.00 0.05 -1.26 -4.23 118.68 119.79 1z3k s LEU 97 Ca 0.55 -1.43 0.15 0.00 0.05 0.00 0.00 54.13 53.45 1z3k s LEU 97 Cb -0.18 -0.98 0.12 0.00 -2.05 0.00 0.00 46.19 43.09 1z3k s LEU 97 CO 0.19 -0.96 0.97 1.67 -0.55 0.00 0.00 176.35 177.67