#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 -2.03 -3.11 2.89 1.02 -1.26 -4.35 120.64 113.80 1z3k n GLU 2 Ca 0.00 1.87 0.00 0.00 -0.02 0.00 0.00 57.16 59.01 1z3k n GLU 2 Cb 0.00 -3.39 -0.01 0.00 -0.02 0.00 0.00 31.44 28.03 1z3k n GLU 2 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1z3k s TRP 3 N -1.36 -1.67 -0.07 -0.32 -2.14 -1.26 -4.79 118.94 107.33 1z3k s TRP 3 Ca 0.01 0.09 -0.30 0.00 2.66 0.00 0.00 56.10 58.56 1z3k s TRP 3 Cb -0.00 0.31 -0.03 0.00 -3.10 0.00 0.00 33.47 30.65 1z3k s TRP 3 CO 0.44 -1.17 1.23 -0.47 -2.66 0.00 0.00 176.95 174.31 1z3k s TYR 4 N 1.65 3.11 -0.52 1.66 5.04 -1.26 -2.78 117.35 124.25 1z3k s TYR 4 Ca 0.19 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 1z3k s TYR 4 Cb -0.03 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1z3k s TYR 4 CO -0.07 -1.47 0.00 0.98 -1.34 0.00 0.00 175.55 173.66 1z3k n TYR 5 N 5.41 0.00 -1.04 4.97 9.36 -1.26 -2.44 117.16 132.16 1z3k n TYR 5 Ca 0.12 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.32 1z3k n TYR 5 Cb 0.46 -1.80 -0.01 0.00 -0.63 0.00 0.00 39.34 37.36 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 -0.53 0.30 3.08 2.98 0.00 -1.12 -4.93 105.19 104.98 1z3k n GLY 6 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.09 -0.91 0.14 1.61 0.01 -1.02 -4.90 114.94 107.78 1z3k s ASN 7 Ca 0.00 0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 52.57 1z3k s ASN 7 Cb 0.00 1.82 -0.00 0.00 0.41 0.00 0.00 41.25 43.48 1z3k s ASN 7 CO 0.00 -0.28 0.27 -0.69 -1.51 0.00 0.00 177.10 174.88 1z3k s VAL 8 N 2.76 0.09 -0.08 1.60 1.01 -0.73 -4.00 120.40 121.04 1z3k s VAL 8 Ca 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1z3k s VAL 8 Cb -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1z3k s VAL 8 CO -0.21 -0.41 0.00 0.41 0.00 0.00 0.00 175.10 174.89 1z3k n THR 9 N -0.17 0.00 0.00 3.92 -1.04 -1.26 -3.96 114.28 111.77 1z3k n THR 9 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1z3k n THR 9 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.01 0.00 -0.13 -2.82 3.00 -1.26 -3.82 116.66 111.62 1z3k n ARG 10 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1z3k n ARG 10 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1z3k n HIS 11 N 0.00 0.17 0.09 -0.14 -0.00 -1.26 -4.25 115.22 109.84 1z3k n HIS 11 Ca 0.00 0.07 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 1z3k n HIS 11 Cb 0.00 -1.02 -0.09 0.00 -0.12 0.00 0.00 29.99 28.76 1z3k n HIS 11 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1z3k h GLN 12 N -0.90 0.31 -0.03 1.57 1.08 -1.90 -2.60 115.11 112.63 1z3k h GLN 12 Ca -0.64 -0.43 0.01 0.00 -1.45 0.00 0.00 58.65 56.14 1z3k h GLN 12 Cb 1.60 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1z3k h GLN 12 CO -0.36 1.15 0.11 0.00 -0.95 0.00 0.00 178.83 178.78 1z3k h ALA 13 N 0.68 1.28 0.04 3.87 0.00 -1.79 1.04 119.26 124.38 1z3k h ALA 13 Ca -0.11 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 1z3k h ALA 13 Cb 1.79 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1z3k h ALA 13 CO 0.18 -0.13 -1.79 0.39 0.00 0.00 0.00 179.25 177.91 1z3k n GLU 14 N -3.26 0.63 0.00 0.00 -0.58 -1.20 -2.65 120.64 113.58 1z3k n GLU 14 Ca -0.02 0.40 0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1z3k n GLU 14 Cb 0.19 -1.67 0.55 0.00 -0.57 0.00 0.00 31.44 29.93 1z3k n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1z3k n ALA 16 N -1.04 1.84 -0.13 0.00 0.00 0.35 -4.73 120.51 116.81 1z3k n ALA 16 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1z3k n ALA 16 Cb 0.08 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.43 1.04 -0.98 0.00 4.77 -1.08 -4.83 117.00 113.50 1z3k n LEU 17 Ca -0.12 -1.04 -0.10 0.00 -0.03 0.00 0.00 56.01 54.73 1z3k n LEU 17 Cb 0.68 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1z3k n LEU 17 CO 0.11 0.26 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.14 1z3k n ASN 18 N -0.09 -3.69 -3.81 -1.43 4.05 0.56 -2.16 115.26 108.69 1z3k n ASN 18 Ca 0.00 0.24 -0.29 0.00 0.45 0.00 0.00 54.58 54.98 1z3k n ASN 18 Cb 0.08 -3.08 -0.04 0.00 1.23 0.00 0.00 39.78 37.97 1z3k n ASN 18 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1z3k n GLU 19 N -1.13 -1.98 0.00 1.20 0.28 -1.25 -4.73 120.64 113.02 1z3k n GLU 19 Ca -0.10 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1z3k n GLU 19 Cb 0.41 -4.79 0.00 0.00 1.43 0.00 0.00 31.44 28.49 1z3k n GLU 19 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1z3k n ARG 20 N -3.66 2.88 -0.42 3.44 1.74 -0.92 -5.06 116.66 114.66 1z3k n ARG 20 Ca 0.06 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1z3k n ARG 20 Cb 0.48 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1z3k n GLY 21 N 0.46 -0.03 3.33 -0.13 0.00 -1.24 -4.80 105.19 102.77 1z3k n GLY 21 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.21 3.37 0.00 1.61 1.01 -1.26 -4.53 120.40 120.39 1z3k s VAL 22 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1z3k s VAL 22 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1z3k s VAL 22 CO 0.00 0.44 0.00 1.21 0.00 0.00 0.00 175.10 176.75 1z3k n GLU 23 N 4.59 0.00 -2.71 2.72 2.13 -1.26 -3.05 120.64 123.05 1z3k n GLU 23 Ca -0.18 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.58 1z3k n GLU 23 Cb 0.51 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.28 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1z3k n GLY 24 N 0.00 -0.79 3.68 8.31 0.00 -1.25 -4.48 105.19 110.67 1z3k n GLY 24 Ca 0.00 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.85 5.58 -0.01 1.61 -1.08 -1.17 -4.75 116.67 116.00 1z3k s ASP 25 Ca 0.29 0.15 0.03 0.00 -0.52 0.00 0.00 52.55 52.51 1z3k s ASP 25 Cb 0.20 -1.82 -0.00 0.00 -1.46 0.00 0.00 42.92 39.84 1z3k s ASP 25 CO -0.16 0.28 -0.10 0.12 0.52 0.00 0.00 175.17 175.82 1z3k s PHE 26 N -0.27 0.95 -0.17 -5.34 2.19 -1.24 -2.46 117.98 111.65 1z3k s PHE 26 Ca 0.08 -0.20 -0.06 0.00 0.33 0.00 0.00 56.93 57.07 1z3k s PHE 26 Cb -0.12 -0.64 0.08 0.00 -1.31 0.00 0.00 43.02 41.03 1z3k s PHE 26 CO 0.02 -0.05 0.35 -0.48 1.83 0.00 0.00 175.22 176.89 1z3k s LEU 27 N -0.09 -0.43 -0.06 6.12 2.34 -0.99 -1.08 118.68 124.50 1z3k s LEU 27 Ca 0.01 0.82 -0.02 0.00 0.06 0.00 0.00 54.13 55.00 1z3k s LEU 27 Cb -0.06 1.08 -0.04 0.00 -0.56 0.00 0.00 46.19 46.62 1z3k s LEU 27 CO -0.00 -0.23 0.04 -0.51 -1.06 0.00 0.00 176.35 174.59 1z3k s ILE 28 N 2.38 4.56 0.18 1.48 2.07 -1.25 -2.12 121.20 128.51 1z3k s ILE 28 Ca -0.02 -0.27 0.08 0.00 -1.41 0.00 0.00 60.65 59.04 1z3k s ILE 28 Cb -0.12 -2.98 -0.04 0.00 0.13 0.00 0.00 42.46 39.45 1z3k s ILE 28 CO -0.11 0.52 -0.17 0.00 -1.91 0.00 0.00 174.94 173.27 1z3k s ARG 29 N -1.19 1.31 -0.24 3.50 1.70 0.42 -1.78 118.95 122.67 1z3k s ARG 29 Ca 0.17 -1.48 -0.17 0.00 -0.47 0.00 0.00 55.73 53.77 1z3k s ARG 29 Cb -0.12 -1.29 -0.03 0.00 -0.57 0.00 0.00 34.95 32.94 1z3k s ARG 29 CO 0.06 0.25 0.46 -0.51 -1.08 0.00 0.00 175.30 174.48 1z3k s ASP 30 N -2.92 6.43 -0.17 -2.89 1.11 -1.26 -1.60 116.67 115.38 1z3k s ASP 30 Ca 0.19 0.51 -0.18 0.00 0.18 0.00 0.00 52.55 53.25 1z3k s ASP 30 Cb -0.04 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 1z3k s ASP 30 CO 0.07 -0.20 0.48 -0.55 1.18 0.00 0.00 175.17 176.15 1z3k s SER 31 N 1.37 6.58 0.01 0.27 0.15 -0.85 -4.96 113.70 116.27 1z3k s SER 31 Ca 0.20 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1z3k s SER 31 Cb -0.15 -2.28 -0.24 0.00 -1.71 0.00 0.00 66.02 61.64 1z3k s SER 31 CO 0.09 -0.09 0.87 -0.08 1.20 0.00 0.00 173.24 175.22 1z3k h GLU 32 N 7.17 0.09 0.06 5.44 4.57 -1.92 -3.36 114.58 126.63 1z3k h GLU 32 Ca -0.37 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1z3k h GLU 32 Cb 1.16 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1z3k h GLU 32 CO 0.74 0.85 -0.14 0.66 -1.18 0.00 0.00 179.01 179.95 1z3k h SER 33 N 0.02 -0.38 -3.50 1.04 4.64 -1.96 -3.43 113.55 109.99 1z3k h SER 33 Ca -0.21 0.05 -0.49 0.00 -0.47 0.00 0.00 61.79 60.67 1z3k h SER 33 Cb 1.95 0.15 0.04 0.00 -0.31 0.00 0.00 62.40 64.23 1z3k h SER 33 CO 0.12 -0.20 0.09 -0.44 -0.87 0.00 0.00 176.83 175.53 1z3k s SER 34 N -4.98 6.14 0.00 4.97 0.01 -1.26 -5.06 113.70 113.52 1z3k s SER 34 Ca -0.15 0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1z3k s SER 34 Cb 0.08 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1z3k s SER 34 CO 0.66 -0.65 0.53 -0.81 0.41 0.00 0.00 173.24 173.39 1z3k n PRO 35 N -2.28 0.00 -2.19 12.44 -0.04 -1.26 -4.33 135.00 137.34 1z3k n PRO 35 Ca 0.01 0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 1z3k n PRO 35 Cb 0.56 -1.06 0.02 0.00 -0.04 0.00 0.00 33.50 32.98 1z3k n PRO 35 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1z3k n SER 36 N -0.94 5.44 -4.86 3.54 2.88 -1.26 -4.95 113.62 113.47 1z3k n SER 36 Ca 0.00 -3.75 -0.37 0.00 -1.33 0.00 0.00 58.87 53.42 1z3k n SER 36 Cb 0.00 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.83 1z3k n SER 36 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1z3k s ASP 37 N -3.03 6.42 0.07 -3.46 2.15 -1.26 -3.35 116.67 114.21 1z3k s ASP 37 Ca 0.51 0.50 0.03 0.00 0.43 0.00 0.00 52.55 54.02 1z3k s ASP 37 Cb 0.42 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.91 1z3k s ASP 37 CO -0.16 0.37 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.76 1z3k s PHE 38 N -0.85 0.91 -0.06 -5.34 0.40 0.22 -2.00 117.98 111.26 1z3k s PHE 38 Ca 0.15 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1z3k s PHE 38 Cb -0.12 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.91 1z3k s PHE 38 CO 0.04 -0.04 -0.08 -1.12 0.70 0.00 0.00 175.22 174.72 1z3k s SER 39 N -2.04 1.39 -0.03 1.36 0.01 -0.62 -0.15 113.70 113.63 1z3k s SER 39 Ca -0.01 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1z3k s SER 39 Cb -0.06 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.55 1z3k s SER 39 CO -0.00 -0.01 0.00 0.54 0.41 0.00 0.00 173.24 174.18 1z3k s VAL 40 N 0.80 0.13 -0.06 3.43 0.11 -0.95 0.16 120.40 124.02 1z3k s VAL 40 Ca -0.13 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1z3k s VAL 40 Cb -0.15 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1z3k s VAL 40 CO 0.02 0.13 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.17 1z3k s SER 41 N 0.96 3.59 0.18 3.54 0.15 -0.90 -2.23 113.70 118.99 1z3k s SER 41 Ca -0.09 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.28 1z3k s SER 41 Cb -0.13 -0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 1z3k s SER 41 CO -0.02 0.29 -0.15 -0.22 1.20 0.00 0.00 173.24 174.34 1z3k s LEU 42 N -0.40 2.51 -0.12 3.45 2.96 -1.12 -2.36 118.68 123.61 1z3k s LEU 42 Ca 0.04 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1z3k s LEU 42 Cb -0.12 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 45.90 1z3k s LEU 42 CO 0.02 -0.14 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.22 1z3k s LYS 43 N -3.34 2.24 0.24 1.98 -0.14 -1.03 -2.61 119.74 117.08 1z3k s LYS 43 Ca 0.19 -0.56 0.03 0.00 -1.36 0.00 0.00 55.97 54.27 1z3k s LYS 43 Cb -0.02 -1.94 0.03 0.00 -1.68 0.00 0.00 37.83 34.22 1z3k s LYS 43 CO 0.06 -0.10 0.25 0.00 -0.76 0.00 0.00 175.35 174.80 1z3k n ALA 44 N 4.33 0.43 -1.57 5.17 0.00 0.42 -3.76 120.51 125.54 1z3k n ALA 44 Ca -0.18 -0.92 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 1z3k n ALA 44 Cb 0.51 0.32 -0.11 0.00 0.00 0.00 0.00 19.45 20.17 1z3k n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1z3k n SER 45 N -2.28 1.33 0.00 0.00 2.88 -1.26 -2.35 113.62 111.94 1z3k n SER 45 Ca 0.03 -2.32 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 1z3k n SER 45 Cb 0.26 -1.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 1z3k n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1z3k n GLY 46 N 6.21 2.28 3.78 0.46 0.00 -1.26 -5.01 105.19 111.65 1z3k n GLY 46 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.25 2.55 -0.24 1.61 2.47 -0.99 -4.84 119.74 120.04 1z3k s LYS 47 Ca 0.00 -1.40 -0.03 0.00 -1.56 0.00 0.00 55.97 52.98 1z3k s LYS 47 Cb 0.00 -2.32 0.11 0.00 -1.46 0.00 0.00 37.83 34.15 1z3k s LYS 47 CO 0.00 0.15 0.23 0.54 0.16 0.00 0.00 175.35 176.42 1z3k s ASN 48 N -3.89 1.84 -0.08 1.43 4.22 -1.26 0.16 114.94 117.35 1z3k s ASN 48 Ca 0.38 -0.57 -0.22 0.00 -2.14 0.00 0.00 52.86 50.31 1z3k s ASN 48 Cb -0.04 0.29 -0.04 0.00 1.28 0.00 0.00 41.25 42.74 1z3k s ASN 48 CO 0.24 -0.36 0.66 -0.54 -2.04 0.00 0.00 177.10 175.06 1z3k s LYS 49 N 2.30 4.41 0.42 3.55 3.01 -1.07 -4.97 119.74 127.38 1z3k s LYS 49 Ca 0.08 0.80 -0.14 0.00 -1.01 0.00 0.00 55.97 55.69 1z3k s LYS 49 Cb -0.15 -3.45 -0.08 0.00 -1.01 0.00 0.00 37.83 33.14 1z3k s LYS 49 CO -0.22 0.07 0.84 -3.38 0.51 0.00 0.00 175.35 173.16 1z3k s HIS 50 N 0.82 3.42 -0.10 3.18 -3.43 -1.26 -2.79 115.29 115.12 1z3k s HIS 50 Ca 0.35 1.27 -0.06 0.00 -0.80 0.00 0.00 55.06 55.82 1z3k s HIS 50 Cb -0.17 -2.61 0.04 0.00 -1.43 0.00 0.00 32.58 28.41 1z3k s HIS 50 CO 0.16 -0.13 0.24 0.12 -2.00 0.00 0.00 174.74 173.14 1z3k s PHE 51 N -2.32 -0.30 -0.05 0.38 2.19 -0.95 -4.97 117.98 111.96 1z3k s PHE 51 Ca 0.55 0.73 0.02 0.00 0.33 0.00 0.00 56.93 58.56 1z3k s PHE 51 Cb -0.10 0.06 0.01 0.00 -1.31 0.00 0.00 43.02 41.68 1z3k s PHE 51 CO 0.26 -0.20 -0.08 0.21 1.83 0.00 0.00 175.22 177.24 1z3k s LYS 52 N 0.87 1.13 -0.27 10.12 2.20 -1.26 -2.24 119.74 130.29 1z3k s LYS 52 Ca -0.06 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1z3k s LYS 52 Cb -0.07 -1.02 0.07 0.00 -1.51 0.00 0.00 37.83 35.29 1z3k s LYS 52 CO -0.05 -0.00 -0.08 0.08 -0.36 0.00 0.00 175.35 174.94 1z3k s VAL 53 N 0.66 2.24 0.05 4.02 1.01 0.79 -3.55 120.40 125.63 1z3k s VAL 53 Ca -0.11 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.22 1z3k s VAL 53 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1z3k s VAL 53 CO 0.01 -0.12 -0.20 -1.58 0.00 0.00 0.00 175.10 173.21 1z3k s GLN 54 N 1.08 1.31 -0.39 2.72 -0.44 -0.90 0.71 119.66 123.75 1z3k s GLN 54 Ca -0.06 -0.95 -0.23 0.00 -2.50 0.00 0.00 55.36 51.62 1z3k s GLN 54 Cb -0.20 -1.43 0.01 0.00 -1.64 0.00 0.00 33.01 29.75 1z3k s GLN 54 CO -0.05 0.36 0.78 -0.51 0.50 0.00 0.00 175.29 176.37 1z3k s LEU 55 N -1.28 4.17 -0.06 3.68 1.43 -1.21 0.49 118.68 125.90 1z3k s LEU 55 Ca 0.07 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1z3k s LEU 55 Cb -0.09 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1z3k s LEU 55 CO 0.02 -0.79 -0.06 0.54 0.23 0.00 0.00 176.35 176.29 1z3k s VAL 56 N 3.15 3.73 -1.11 -1.59 0.11 0.34 -4.69 120.40 120.34 1z3k s VAL 56 Ca 0.31 -0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1z3k s VAL 56 Cb -0.13 -2.54 0.07 0.00 -1.53 0.00 0.00 36.38 32.25 1z3k s VAL 56 CO 0.19 0.57 0.18 -0.67 -3.33 0.00 0.00 175.10 172.04 1z3k n ASP 57 N 2.11 -0.22 -0.99 3.54 -0.08 -1.26 0.23 116.55 119.88 1z3k n ASP 57 Ca -0.18 -0.82 -0.08 0.00 -1.51 0.00 0.00 54.79 52.20 1z3k n ASP 57 Cb 0.53 -1.03 -0.00 0.00 2.34 0.00 0.00 41.12 42.95 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1z3k n ASN 58 N -1.55 -3.01 -3.74 1.67 4.05 -1.26 -5.03 115.26 106.39 1z3k n ASN 58 Ca -0.08 -0.02 -0.12 0.00 0.45 0.00 0.00 54.58 54.81 1z3k n ASN 58 Cb 0.38 -2.27 -0.12 0.00 1.23 0.00 0.00 39.78 38.99 1z3k n ASN 58 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1z3k s VAL 59 N -2.45 -0.03 0.08 3.44 -7.23 0.62 -5.06 120.40 109.77 1z3k s VAL 59 Ca 0.01 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 59.97 1z3k s VAL 59 Cb -0.01 -0.42 -0.07 0.00 0.56 0.00 0.00 36.38 36.45 1z3k s VAL 59 CO 0.01 0.04 1.30 -0.31 -0.31 0.00 0.00 175.10 175.83 1z3k s TYR 60 N 0.97 3.30 -0.22 2.82 2.02 -0.45 0.13 117.35 125.92 1z3k s TYR 60 Ca -0.07 1.11 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1z3k s TYR 60 Cb -0.08 -3.55 -0.02 0.00 -0.40 0.00 0.00 41.96 37.91 1z3k s TYR 60 CO -0.07 -1.85 0.00 0.00 -1.57 0.00 0.00 175.55 172.07 1z3k s ILE 62 N 1.35 1.57 -0.51 0.00 -1.09 0.10 -2.12 121.20 120.50 1z3k s ILE 62 Ca 0.04 -1.20 -0.16 0.00 -2.23 0.00 0.00 60.65 57.10 1z3k s ILE 62 Cb -0.15 -1.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.96 1z3k s ILE 62 CO 0.00 -0.06 0.63 0.61 -1.23 0.00 0.00 174.94 174.90 1z3k n GLY 63 N 4.66 -1.06 4.32 6.18 0.00 -1.23 -3.25 105.19 114.81 1z3k n GLY 63 Ca -0.12 1.07 -0.37 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.67 -2.12 -3.61 1.61 6.02 -1.26 -4.91 117.38 112.44 1z3k n GLN 64 Ca 0.04 0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 57.18 1z3k n GLN 64 Cb 0.52 -4.77 -0.05 0.00 1.02 0.00 0.00 30.24 26.96 1z3k n GLN 64 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1z3k s ARG 65 N -7.05 1.05 -0.13 -1.09 1.81 -1.20 -5.16 118.95 107.18 1z3k s ARG 65 Ca 0.64 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 54.12 1z3k s ARG 65 Cb -0.36 0.47 -0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1z3k s ARG 65 CO 0.97 -0.40 -0.17 1.03 -0.68 0.00 0.00 175.30 176.04 1z3k s ARG 66 N -3.32 3.21 0.08 3.54 1.81 -1.26 -0.72 118.95 122.29 1z3k s ARG 66 Ca -0.00 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.25 1z3k s ARG 66 Cb 0.01 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 1z3k s ARG 66 CO -0.09 0.12 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.54 1z3k s PHE 67 N 0.53 0.78 -0.43 -0.53 0.08 0.31 -4.97 117.98 113.76 1z3k s PHE 67 Ca -0.11 -0.93 -0.01 0.00 0.12 0.00 0.00 56.93 56.00 1z3k s PHE 67 Cb -0.16 -0.48 0.30 0.00 -0.57 0.00 0.00 43.02 42.11 1z3k s PHE 67 CO 0.04 -0.20 2.00 -2.39 -0.10 0.00 0.00 175.22 174.57 1z3k n HIS 68 N 0.08 2.09 -3.71 0.36 1.44 -1.26 -1.34 115.22 112.88 1z3k n HIS 68 Ca -0.13 -2.27 -0.10 0.00 -2.01 0.00 0.00 57.72 53.21 1z3k n HIS 68 Cb 0.60 -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 -3.07 0.09 0.00 0.61 -1.32 -1.26 -4.98 115.64 105.71 1z3k s THR 69 Ca 0.42 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1z3k s THR 69 Cb 0.33 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1z3k s THR 69 CO -0.00 -0.40 0.00 0.80 -2.21 0.00 0.00 174.62 172.81 1z3k n MET 70 N 0.03 0.00 0.00 7.08 0.00 -1.26 -4.59 117.12 118.38 1z3k n MET 70 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1z3k n MET 70 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.84 1z3k n MET 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1z3k n ASP 71 N 0.00 0.00 0.03 6.12 2.03 -1.26 -4.55 116.55 118.93 1z3k n ASP 71 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1z3k n ASP 71 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.00 0.55 0.06 -0.67 4.71 -1.26 -3.96 120.64 120.08 1z3k n GLU 72 Ca 0.00 -0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.22 1z3k n GLU 72 Cb 0.00 -1.63 0.48 0.00 -1.01 0.00 0.00 31.44 29.27 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 -2.31 0.45 -0.03 -4.62 -0.00 -1.26 -2.56 117.00 106.67 1z3k n LEU 73 Ca -0.01 0.56 0.14 0.00 -0.00 0.00 0.00 56.01 56.69 1z3k n LEU 73 Cb 0.53 -0.44 0.54 0.00 -0.00 0.00 0.00 43.42 44.05 1z3k n LEU 73 CO 0.43 -0.19 0.82 0.52 -0.00 0.00 0.00 177.39 178.97 1z3k n VAL 74 N -1.94 0.00 -0.02 1.47 0.31 -1.25 0.19 118.33 117.09 1z3k n VAL 74 Ca 0.05 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1z3k n VAL 74 Cb 0.34 -0.22 -0.14 0.00 -0.91 0.00 0.00 33.84 32.91 1z3k n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1z3k n GLU 75 N -1.36 0.65 -0.13 5.55 2.13 -1.06 -4.39 120.64 122.03 1z3k n GLU 75 Ca 0.09 0.28 0.02 0.00 0.66 0.00 0.00 57.16 58.21 1z3k n GLU 75 Cb 0.32 -1.77 0.03 0.00 0.27 0.00 0.00 31.44 30.28 1z3k n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1z3k n HIS 76 N -3.10 0.00 -3.84 4.31 8.25 -1.22 -5.03 115.22 114.59 1z3k n HIS 76 Ca -0.20 -0.31 -0.37 0.00 -0.26 0.00 0.00 57.72 56.57 1z3k n HIS 76 Cb 1.06 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 32.15 1z3k n HIS 76 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1z3k n TYR 77 N -0.40 -1.71 0.00 4.41 4.01 0.51 -4.97 117.16 119.01 1z3k n TYR 77 Ca 0.03 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1z3k n TYR 77 Cb 0.51 -3.17 0.00 0.00 -0.31 0.00 0.00 39.34 36.37 1z3k n TYR 77 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1z3k n LYS 78 N -4.49 0.00 -0.96 -0.72 4.76 -0.65 -4.30 118.16 111.80 1z3k n LYS 78 Ca -0.10 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 1z3k n LYS 78 Cb 0.58 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 1z3k n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1z3k n LYS 79 N 0.00 2.13 -4.08 1.97 4.76 -1.26 -4.86 118.16 116.82 1z3k n LYS 79 Ca 0.00 -1.70 -0.27 0.00 -2.87 0.00 0.00 58.31 53.47 1z3k n LYS 79 Cb 0.00 -2.66 -0.06 0.00 -1.84 0.00 0.00 35.03 30.47 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1z3k s ALA 80 N 3.70 3.55 -1.66 7.82 0.00 -1.26 -4.94 121.76 128.96 1z3k s ALA 80 Ca 0.47 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1z3k s ALA 80 Cb 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1z3k s ALA 80 CO 0.00 0.56 0.68 -0.35 0.00 0.00 0.00 175.76 176.65 1z3k n PRO 81 N -0.15 0.82 -1.67 0.00 -0.04 -1.26 -4.83 135.00 127.87 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 0.54 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.66 2.88 0.02 0.52 1.01 -1.26 -4.97 121.20 117.74 1z3k s ILE 82 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1z3k s ILE 82 Cb 0.00 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1z3k s ILE 82 CO 0.00 -0.00 0.07 0.12 0.00 0.00 0.00 174.94 175.13 1z3k s PHE 83 N 4.09 0.15 0.06 3.97 5.36 -0.89 -4.91 117.98 125.81 1z3k s PHE 83 Ca 0.87 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 56.53 1z3k s PHE 83 Cb -0.44 -0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.10 1z3k s PHE 83 CO 0.41 -0.27 -0.12 0.99 -1.46 0.00 0.00 175.22 174.76 1z3k s THR 84 N -1.69 0.94 -0.11 0.12 2.01 -1.26 0.14 115.64 115.80 1z3k s THR 84 Ca -0.13 -1.18 -0.00 0.00 0.31 0.00 0.00 61.69 60.68 1z3k s THR 84 Cb -0.07 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1z3k s THR 84 CO -0.01 -0.23 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.05 1z3k s SER 85 N -1.59 4.41 -0.62 3.53 0.15 0.83 -4.96 113.70 115.45 1z3k s SER 85 Ca -0.04 -0.17 -0.35 0.00 0.70 0.00 0.00 55.95 56.10 1z3k s SER 85 Cb -0.10 -1.43 -0.16 0.00 -1.71 0.00 0.00 66.02 62.62 1z3k s SER 85 CO 0.02 0.25 2.37 -0.62 1.20 0.00 0.00 173.24 176.46 1z3k n GLU 86 N 2.98 0.42 -1.82 5.44 -0.58 -1.26 0.23 120.64 126.06 1z3k n GLU 86 Ca -0.18 0.08 -0.18 0.00 -0.42 0.00 0.00 57.16 56.46 1z3k n GLU 86 Cb 0.53 -2.00 -0.05 0.00 -0.57 0.00 0.00 31.44 29.34 1z3k n GLU 86 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1z3k n HIS 87 N 10.18 -0.48 -0.00 -0.32 8.25 -1.26 -4.78 115.22 126.80 1z3k n HIS 87 Ca 0.53 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 58.05 1z3k n HIS 87 Cb 0.13 -3.29 -0.09 0.00 1.12 0.00 0.00 29.99 27.86 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 -0.54 -0.55 0.00 -1.41 0.00 0.64 -5.11 105.19 98.22 1z3k n GLY 88 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.92 0.00 -4.85 1.61 1.02 -0.95 -4.79 120.64 110.77 1z3k n GLU 89 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 1z3k n GLU 89 Cb 0.31 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.61 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 -3.61 2.54 -0.76 3.49 1.02 -1.26 -0.12 119.74 121.04 1z3k s LYS 90 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 1z3k s LYS 90 Cb 0.00 -2.41 0.20 0.00 -0.52 0.00 0.00 37.83 35.10 1z3k s LYS 90 CO 0.00 0.63 0.65 -1.17 -0.92 0.00 0.00 175.35 174.54 1z3k s LEU 91 N -0.74 6.14 0.14 3.17 1.98 0.38 -4.94 118.68 124.80 1z3k s LEU 91 Ca 0.12 -2.82 0.07 0.00 -2.89 0.00 0.00 54.13 48.61 1z3k s LEU 91 Cb -0.11 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.64 1z3k s LEU 91 CO 0.01 -0.47 -0.16 -0.31 -1.89 0.00 0.00 176.35 173.52 1z3k s TYR 92 N -0.02 1.57 -1.20 5.38 1.51 -1.26 -2.09 117.35 121.24 1z3k s TYR 92 Ca 0.18 -0.52 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1z3k s TYR 92 Cb -0.14 -0.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1z3k s TYR 92 CO -0.07 0.21 2.68 1.28 -1.11 0.00 0.00 175.55 178.54 1z3k n LEU 93 N 0.49 7.84 0.00 -1.29 4.77 -1.26 -4.44 117.00 123.12 1z3k n LEU 93 Ca -0.15 -4.53 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 1z3k n LEU 93 Cb 0.57 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1z3k n LEU 93 CO 0.27 2.00 0.00 0.55 -1.33 0.00 0.00 177.39 178.88 1z3k n VAL 94 N 2.15 0.00 -3.83 4.08 3.14 -1.26 -4.82 118.33 117.79 1z3k n VAL 94 Ca 0.64 0.18 0.04 0.00 -2.96 0.00 0.00 64.34 62.24 1z3k n VAL 94 Cb 0.33 -0.85 0.01 0.00 -1.06 0.00 0.00 33.84 32.27 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 0.16 -1.17 1.45 1.81 -0.24 -4.86 118.95 116.10 1z3k s ARG 95 Ca 0.00 -0.10 -0.21 0.00 -1.72 0.00 0.00 55.73 53.70 1z3k s ARG 95 Cb 0.00 0.05 0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1z3k s ARG 95 CO 0.00 -0.07 1.76 0.00 -0.68 0.00 0.00 175.30 176.31 1z3k s ALA 96 N -2.07 2.61 0.36 2.13 0.00 -1.19 -3.62 121.76 119.97 1z3k s ALA 96 Ca 0.24 -2.43 0.02 0.00 0.00 0.00 0.00 51.96 49.79 1z3k s ALA 96 Cb 0.03 -4.63 0.04 0.00 0.00 0.00 0.00 23.12 18.56 1z3k s ALA 96 CO -0.04 -4.06 0.31 1.28 0.00 0.00 0.00 175.76 173.25 1z3k n LEU 97 N 10.76 0.00 -0.83 0.00 4.77 -1.26 -4.52 117.00 125.92 1z3k n LEU 97 Ca 0.44 -0.79 0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1z3k n LEU 97 Cb 0.47 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1z3k n LEU 97 CO 0.70 -0.62 0.58 1.67 -1.33 0.00 0.00 177.39 178.39