#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 3.36 -0.11 -0.14 4.07 -1.26 -4.74 120.64 121.81 1z3k n GLU 2 Ca 0.00 -4.22 -0.21 0.00 -0.06 0.00 0.00 57.16 52.67 1z3k n GLU 2 Cb 0.00 -2.19 -0.09 0.00 -0.06 0.00 0.00 31.44 29.10 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 -0.60 0.00 -3.85 4.31 8.01 -1.26 -4.87 117.44 119.19 1z3k n TRP 3 Ca 0.39 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 56.28 1z3k n TRP 3 Cb 0.85 -0.84 -0.14 0.00 -2.01 0.00 0.00 31.31 29.17 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 -2.43 2.66 0.00 -5.99 1.13 -1.26 -4.74 117.35 106.71 1z3k s TYR 4 Ca -0.31 -2.75 0.00 0.00 -1.41 0.00 0.00 57.07 52.59 1z3k s TYR 4 Cb 0.11 -2.38 0.00 0.00 -1.10 0.00 0.00 41.96 38.59 1z3k s TYR 4 CO 0.45 -0.79 0.00 0.98 -2.51 0.00 0.00 175.55 173.68 1z3k n TYR 5 N 3.53 -0.54 0.22 -3.49 4.19 -1.26 -4.96 117.16 114.85 1z3k n TYR 5 Ca 0.06 0.00 0.18 0.00 3.31 0.00 0.00 57.90 61.45 1z3k n TYR 5 Cb 0.35 0.00 0.81 0.00 0.49 0.00 0.00 39.34 40.99 1z3k n TYR 5 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1z3k h GLY 6 N 0.00 0.00 -4.91 2.98 0.00 -2.02 -3.40 103.07 95.73 1z3k h GLY 6 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1z3k h GLY 6 CO 0.00 0.00 -0.37 -1.31 0.00 0.00 0.00 176.54 174.86 1z3k s ASN 7 N -5.01 -0.18 0.00 0.19 -0.87 -1.26 -5.00 114.94 102.81 1z3k s ASN 7 Ca -0.04 0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 1z3k s ASN 7 Cb 0.13 0.39 0.00 0.00 -0.02 0.00 0.00 41.25 41.75 1z3k s ASN 7 CO 0.43 -0.29 0.33 0.52 -2.57 0.00 0.00 177.10 175.53 1z3k n VAL 8 N 1.99 0.00 -4.49 1.60 0.31 -1.26 -4.71 118.33 111.77 1z3k n VAL 8 Ca -0.18 -0.47 -0.25 0.00 -0.01 0.00 0.00 64.34 63.43 1z3k n VAL 8 Cb 0.57 1.04 -0.08 0.00 -0.91 0.00 0.00 33.84 34.46 1z3k n VAL 8 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1z3k s THR 9 N -0.27 0.54 0.00 2.52 -4.23 -1.26 0.70 115.64 113.64 1z3k s THR 9 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1z3k s THR 9 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1z3k s THR 9 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 1z3k n ARG 10 N -0.89 0.00 -0.05 3.99 0.63 -1.26 -3.56 116.66 115.53 1z3k n ARG 10 Ca -0.05 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.78 1z3k n ARG 10 Cb 0.65 -0.11 -0.04 0.00 0.45 0.00 0.00 32.46 33.41 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1z3k n HIS 11 N 0.00 0.00 -0.04 -0.14 -0.00 -1.26 -4.58 115.22 109.20 1z3k n HIS 11 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 1z3k n HIS 11 Cb 0.00 -0.37 -0.13 0.00 -0.12 0.00 0.00 29.99 29.37 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 -0.41 0.08 -0.96 1.57 7.50 -1.70 -2.42 115.11 118.77 1z3k h GLN 12 Ca -0.23 -0.11 0.25 0.00 0.50 0.00 0.00 58.65 59.05 1z3k h GLN 12 Cb 1.09 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 28.53 1z3k h GLN 12 CO -0.14 0.99 0.51 0.00 -1.50 0.00 0.00 178.83 178.69 1z3k h ALA 13 N 0.09 1.68 -0.06 3.87 0.00 0.07 0.72 119.26 125.62 1z3k h ALA 13 Ca -0.03 0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1z3k h ALA 13 Cb 1.07 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1z3k h ALA 13 CO 0.03 -0.35 -0.89 1.05 0.00 0.00 0.00 179.25 179.09 1z3k h GLU 14 N 0.46 0.64 0.00 0.00 4.11 -1.81 0.25 114.58 118.23 1z3k h GLU 14 Ca 0.63 -0.60 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1z3k h GLU 14 Cb 1.24 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1z3k h GLU 14 CO -0.52 1.21 0.00 0.00 0.07 0.00 0.00 179.01 179.77 1z3k n ALA 16 N -1.36 1.89 0.10 0.00 0.00 0.86 -4.76 120.51 117.25 1z3k n ALA 16 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.22 1z3k n ALA 16 Cb 0.06 0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.37 0.40 0.00 0.00 4.77 0.82 -4.61 117.00 116.01 1z3k n LEU 17 Ca -0.08 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1z3k n LEU 17 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1z3k n LEU 17 CO 0.07 0.09 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 2.85 0.83 -3.13 115.26 113.65 1z3k n ASN 18 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1z3k n ASN 18 Cb 0.04 -1.86 0.00 0.00 1.24 0.00 0.00 39.78 39.20 1z3k n ASN 18 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1z3k n GLU 19 N -1.71 0.00 0.00 1.20 0.00 -1.26 -4.94 120.64 113.93 1z3k n GLU 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1z3k n GLU 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1z3k n GLU 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1z3k n ARG 20 N 0.00 0.00 0.00 5.31 -4.01 -1.18 -4.96 116.66 111.82 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 1.22 3.03 2.89 0.00 -1.26 -4.80 105.19 106.26 1z3k n GLY 21 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.36 0.11 1.61 -7.23 -1.26 -4.64 120.40 106.62 1z3k s VAL 22 Ca 0.00 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1z3k s VAL 22 Cb 0.00 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1z3k s VAL 22 CO 0.00 0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 174.28 1z3k n GLU 23 N 5.17 -2.32 -1.33 4.82 1.02 -1.26 -4.19 120.64 122.56 1z3k n GLU 23 Ca -0.09 1.64 -0.12 0.00 -0.02 0.00 0.00 57.16 58.57 1z3k n GLU 23 Cb 0.50 -2.08 -0.12 0.00 -0.02 0.00 0.00 31.44 29.72 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z3k n GLY 24 N 1.41 -0.28 3.25 0.62 0.00 -1.26 -4.77 105.19 104.17 1z3k n GLY 24 Ca 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 1.88 3.46 -0.03 1.61 1.47 -1.26 -4.68 116.67 119.13 1z3k s ASP 25 Ca 0.74 -0.49 0.03 0.00 1.18 0.00 0.00 52.55 54.00 1z3k s ASP 25 Cb -0.39 -1.51 0.00 0.00 -0.34 0.00 0.00 42.92 40.69 1z3k s ASP 25 CO 0.27 0.12 -0.10 0.12 0.68 0.00 0.00 175.17 176.26 1z3k s PHE 26 N 0.60 1.02 -0.06 2.11 2.19 -1.25 -3.30 117.98 119.29 1z3k s PHE 26 Ca -0.10 -0.26 -0.02 0.00 0.33 0.00 0.00 56.93 56.87 1z3k s PHE 26 Cb -0.16 -0.73 0.04 0.00 -1.31 0.00 0.00 43.02 40.86 1z3k s PHE 26 CO 0.03 -0.11 0.09 -0.48 1.83 0.00 0.00 175.22 176.58 1z3k s LEU 27 N 0.20 0.09 -0.10 6.12 0.05 -1.03 -3.40 118.68 120.60 1z3k s LEU 27 Ca -0.03 0.12 -0.01 0.00 0.05 0.00 0.00 54.13 54.26 1z3k s LEU 27 Cb -0.09 -0.03 -0.03 0.00 -2.05 0.00 0.00 46.19 44.00 1z3k s LEU 27 CO 0.01 -0.25 -0.06 -0.51 -0.55 0.00 0.00 176.35 174.98 1z3k s ILE 28 N 2.20 3.75 0.04 1.48 2.07 -1.26 -2.10 121.20 127.39 1z3k s ILE 28 Ca 0.04 -0.44 -0.03 0.00 -1.41 0.00 0.00 60.65 58.82 1z3k s ILE 28 Cb -0.12 -2.58 -0.03 0.00 0.13 0.00 0.00 42.46 39.87 1z3k s ILE 28 CO -0.04 0.56 0.02 0.00 -1.91 0.00 0.00 174.94 173.57 1z3k s ARG 29 N -0.34 0.57 0.69 3.50 1.70 0.27 -4.92 118.95 120.42 1z3k s ARG 29 Ca 0.05 -0.96 -0.14 0.00 -0.47 0.00 0.00 55.73 54.21 1z3k s ARG 29 Cb -0.12 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1z3k s ARG 29 CO 0.02 -0.12 1.12 -0.51 -1.08 0.00 0.00 175.30 174.73 1z3k s ASP 30 N -2.43 4.83 -0.02 -2.89 1.11 -1.26 0.32 116.67 116.33 1z3k s ASP 30 Ca -0.01 2.03 0.05 0.00 0.18 0.00 0.00 52.55 54.80 1z3k s ASP 30 Cb 0.02 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1z3k s ASP 30 CO -0.07 -1.82 -0.16 -0.55 1.18 0.00 0.00 175.17 173.75 1z3k s SER 31 N -2.62 1.97 -1.61 0.27 0.15 -0.96 -4.73 113.70 106.17 1z3k s SER 31 Ca 0.67 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.98 1z3k s SER 31 Cb -0.21 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1z3k s SER 31 CO 0.44 0.19 0.47 -0.62 1.20 0.00 0.00 173.24 174.92 1z3k n GLU 32 N 2.80 -4.17 -2.64 5.44 1.02 -1.26 -1.65 120.64 120.17 1z3k n GLU 32 Ca -0.16 0.93 -0.13 0.00 -0.02 0.00 0.00 57.16 57.78 1z3k n GLU 32 Cb 0.54 -5.75 -0.00 0.00 -0.02 0.00 0.00 31.44 26.21 1z3k n GLU 32 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1z3k n SER 33 N -2.41 -3.56 -4.58 1.62 3.41 -1.26 -4.93 113.62 101.91 1z3k n SER 33 Ca -0.14 0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 1z3k n SER 33 Cb 0.63 -3.02 -0.11 0.00 -0.26 0.00 0.00 64.21 61.45 1z3k n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1z3k s SER 34 N -2.17 5.23 0.00 4.04 0.15 -0.66 -4.99 113.70 115.30 1z3k s SER 34 Ca 0.08 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.96 1z3k s SER 34 Cb -0.04 -1.86 1.12 0.00 -1.71 0.00 0.00 66.02 63.53 1z3k s SER 34 CO 0.10 0.18 1.76 -0.81 1.20 0.00 0.00 173.24 175.68 1z3k n PRO 35 N 3.45 0.22 -0.03 5.44 -0.04 -1.26 -2.98 135.00 139.79 1z3k n PRO 35 Ca -0.17 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1z3k n PRO 35 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 1z3k n PRO 35 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1z3k n SER 36 N -1.36 0.09 -4.79 3.54 3.41 -1.26 -4.92 113.62 108.33 1z3k n SER 36 Ca 0.09 0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 1z3k n SER 36 Cb 0.22 1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 65.58 1z3k n SER 36 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1z3k s ASP 37 N -4.96 6.32 -0.01 4.04 1.11 -1.16 -2.63 116.67 119.39 1z3k s ASP 37 Ca -0.08 0.37 -0.04 0.00 0.18 0.00 0.00 52.55 52.98 1z3k s ASP 37 Cb 0.11 -2.10 -0.00 0.00 1.07 0.00 0.00 42.92 42.00 1z3k s ASP 37 CO 0.87 0.26 0.09 -0.36 1.18 0.00 0.00 175.17 177.21 1z3k s PHE 38 N -0.19 0.04 -0.01 4.23 0.08 0.14 -2.26 117.98 120.02 1z3k s PHE 38 Ca 0.12 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.13 1z3k s PHE 38 Cb -0.12 -0.05 -0.01 0.00 -0.57 0.00 0.00 43.02 42.27 1z3k s PHE 38 CO 0.01 -0.18 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.72 1z3k s SER 39 N -0.89 1.38 -0.06 1.36 0.01 0.15 0.02 113.70 115.67 1z3k s SER 39 Ca -0.10 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 1z3k s SER 39 Cb -0.06 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1z3k s SER 39 CO 0.00 0.13 0.15 0.54 0.41 0.00 0.00 173.24 174.48 1z3k s VAL 40 N -0.32 -0.01 -0.05 3.43 0.11 -1.01 0.93 120.40 123.49 1z3k s VAL 40 Ca 0.04 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1z3k s VAL 40 Cb -0.05 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1z3k s VAL 40 CO -0.00 0.01 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.10 1z3k s SER 41 N 0.22 3.21 0.12 3.54 0.01 -0.89 -2.68 113.70 117.23 1z3k s SER 41 Ca -0.01 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.83 1z3k s SER 41 Cb -0.02 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.48 1z3k s SER 41 CO -0.01 0.28 -0.09 -0.22 0.41 0.00 0.00 173.24 173.62 1z3k s LEU 42 N -0.37 2.50 0.00 2.44 2.96 -1.08 -2.47 118.68 122.66 1z3k s LEU 42 Ca 0.03 -0.97 0.04 0.00 -0.22 0.00 0.00 54.13 53.01 1z3k s LEU 42 Cb -0.12 -0.23 0.09 0.00 0.50 0.00 0.00 46.19 46.42 1z3k s LEU 42 CO 0.02 -0.37 0.65 2.29 -1.32 0.00 0.00 176.35 177.62 1z3k n LYS 43 N 0.01 0.44 -2.57 1.98 -0.00 -1.21 -0.74 118.16 116.07 1z3k n LYS 43 Ca -0.12 -2.18 -0.01 0.00 -0.00 0.00 0.00 58.31 56.00 1z3k n LYS 43 Cb 0.60 -0.31 0.01 0.00 -0.00 0.00 0.00 35.03 35.33 1z3k n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1z3k n ALA 44 N -2.69 -1.28 -1.76 0.58 0.00 0.22 -4.48 120.51 111.10 1z3k n ALA 44 Ca -0.11 -0.44 -0.19 0.00 0.00 0.00 0.00 53.44 52.69 1z3k n ALA 44 Cb 0.44 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.13 3.96 0.00 0.00 0.15 -1.26 -3.11 113.70 111.32 1z3k s SER 45 Ca 0.11 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1z3k s SER 45 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1z3k s SER 45 CO 0.02 -4.20 0.00 0.61 1.20 0.00 0.00 173.24 170.87 1z3k n GLY 46 N 6.04 2.32 3.76 9.45 0.00 -1.26 -4.97 105.19 120.53 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 0.00 2.49 0.04 1.61 2.36 -1.18 -4.92 119.74 120.15 1z3k s LYS 47 Ca 0.00 -1.44 0.09 0.00 -2.55 0.00 0.00 55.97 52.07 1z3k s LYS 47 Cb 0.00 -2.28 -0.03 0.00 -1.05 0.00 0.00 37.83 34.48 1z3k s LYS 47 CO 0.00 0.15 -0.24 0.54 1.55 0.00 0.00 175.35 177.35 1z3k s ASN 48 N -3.87 2.91 -0.25 1.43 2.20 -1.26 0.69 114.94 116.80 1z3k s ASN 48 Ca 0.38 -0.56 -0.07 0.00 -0.94 0.00 0.00 52.86 51.66 1z3k s ASN 48 Cb -0.04 -0.26 -0.03 0.00 -2.00 0.00 0.00 41.25 38.92 1z3k s ASN 48 CO 0.24 0.23 0.08 -0.54 -2.94 0.00 0.00 177.10 174.16 1z3k s LYS 49 N -1.17 3.69 0.42 3.55 1.02 0.08 -4.96 119.74 122.37 1z3k s LYS 49 Ca 0.10 -0.46 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1z3k s LYS 49 Cb -0.10 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.77 1z3k s LYS 49 CO 0.02 -0.16 0.94 -3.38 -0.92 0.00 0.00 175.35 171.85 1z3k s HIS 50 N 1.55 3.34 -0.16 3.18 -3.43 -1.26 -2.63 115.29 115.88 1z3k s HIS 50 Ca 0.06 1.61 -0.06 0.00 -0.80 0.00 0.00 55.06 55.88 1z3k s HIS 50 Cb -0.15 -2.85 0.07 0.00 -1.43 0.00 0.00 32.58 28.23 1z3k s HIS 50 CO 0.04 -0.08 0.33 0.12 -2.00 0.00 0.00 174.74 173.14 1z3k s PHE 51 N -2.14 -0.57 -0.12 0.38 2.19 -1.09 -4.98 117.98 111.65 1z3k s PHE 51 Ca 0.61 1.19 0.01 0.00 0.33 0.00 0.00 56.93 59.07 1z3k s PHE 51 Cb -0.10 0.10 0.02 0.00 -1.31 0.00 0.00 43.02 41.73 1z3k s PHE 51 CO 0.14 -0.40 -0.16 0.21 1.83 0.00 0.00 175.22 176.84 1z3k s LYS 52 N 2.44 2.33 -0.26 10.12 2.20 -1.26 -2.40 119.74 132.91 1z3k s LYS 52 Ca -0.00 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1z3k s LYS 52 Cb -0.12 -2.01 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1z3k s LYS 52 CO -0.10 -0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 174.76 1z3k s VAL 53 N 1.11 2.21 -0.02 4.02 1.01 0.10 -3.45 120.40 125.38 1z3k s VAL 53 Ca -0.03 -1.66 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1z3k s VAL 53 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1z3k s VAL 53 CO -0.04 -0.06 -0.21 -1.58 0.00 0.00 0.00 175.10 173.21 1z3k s GLN 54 N 1.10 1.75 -0.36 2.72 0.74 -1.07 0.27 119.66 124.80 1z3k s GLN 54 Ca -0.08 -0.75 -0.24 0.00 0.05 0.00 0.00 55.36 54.34 1z3k s GLN 54 Cb -0.20 -1.66 0.01 0.00 1.10 0.00 0.00 33.01 32.26 1z3k s GLN 54 CO -0.05 0.43 0.82 -1.17 -0.55 0.00 0.00 175.29 174.77 1z3k s LEU 55 N -0.44 4.09 -0.06 3.68 1.98 -1.08 0.64 118.68 127.49 1z3k s LEU 55 Ca 0.07 0.45 0.01 0.00 -2.89 0.00 0.00 54.13 51.77 1z3k s LEU 55 Cb -0.09 -3.09 -0.03 0.00 0.66 0.00 0.00 46.19 43.64 1z3k s LEU 55 CO -0.00 -0.75 -0.08 0.54 -1.89 0.00 0.00 176.35 174.17 1z3k s VAL 56 N 3.17 3.59 -0.95 1.68 0.11 0.74 -4.74 120.40 124.01 1z3k s VAL 56 Ca 0.33 -0.52 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 1z3k s VAL 56 Cb -0.13 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.27 1z3k s VAL 56 CO 0.17 0.60 0.17 -0.67 -3.33 0.00 0.00 175.10 172.03 1z3k n ASP 57 N 2.24 -0.60 -1.74 3.54 -0.08 -1.26 0.28 116.55 118.93 1z3k n ASP 57 Ca -0.18 -0.86 -0.15 0.00 -1.51 0.00 0.00 54.79 52.09 1z3k n ASP 57 Cb 0.53 -1.06 -0.01 0.00 2.34 0.00 0.00 41.12 42.92 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 -1.56 -4.66 -3.73 1.67 4.05 -1.26 -4.99 115.26 104.77 1z3k n ASN 58 Ca -0.17 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 54.68 1z3k n ASN 58 Cb 0.43 -3.78 -0.17 0.00 1.23 0.00 0.00 39.78 37.49 1z3k n ASN 58 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1z3k s VAL 59 N -2.76 -0.01 -0.10 3.44 1.01 0.80 -4.98 120.40 117.79 1z3k s VAL 59 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1z3k s VAL 59 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1z3k s VAL 59 CO 0.00 0.16 1.17 -0.31 0.00 0.00 0.00 175.10 176.12 1z3k s TYR 60 N 1.66 3.18 -0.14 5.22 2.02 0.39 0.26 117.35 129.94 1z3k s TYR 60 Ca -0.01 1.25 -0.18 0.00 -0.37 0.00 0.00 57.07 57.76 1z3k s TYR 60 Cb -0.13 -3.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.00 1z3k s TYR 60 CO -0.03 -1.18 0.46 0.00 -1.57 0.00 0.00 175.55 173.24 1z3k s ILE 62 N 0.82 1.85 0.00 0.00 -1.09 -0.41 -2.61 121.20 119.75 1z3k s ILE 62 Ca 0.24 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1z3k s ILE 62 Cb -0.15 -2.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1z3k s ILE 62 CO 0.09 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1z3k n GLY 63 N 4.56 2.00 2.59 6.18 0.00 -1.22 -3.41 105.19 115.88 1z3k n GLY 63 Ca -0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 2.23 -3.73 1.61 1.13 -1.26 -4.78 117.38 112.58 1z3k n GLN 64 Ca 0.00 -3.70 -0.09 0.00 -1.94 0.00 0.00 57.00 51.27 1z3k n GLN 64 Cb 0.00 -1.77 -0.02 0.00 0.11 0.00 0.00 30.24 28.56 1z3k n GLN 64 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1z3k s ARG 65 N -3.64 1.63 -0.15 -1.09 6.06 -1.22 -5.16 118.95 115.37 1z3k s ARG 65 Ca 0.34 -0.84 -0.00 0.00 -2.50 0.00 0.00 55.73 52.73 1z3k s ARG 65 Cb 0.37 0.60 -0.01 0.00 0.06 0.00 0.00 34.95 35.97 1z3k s ARG 65 CO -0.02 -0.73 -0.14 1.03 -2.50 0.00 0.00 175.30 172.94 1z3k s ARG 66 N -3.87 3.27 0.11 5.12 1.81 -1.26 -1.29 118.95 122.84 1z3k s ARG 66 Ca 0.08 -0.72 -0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1z3k s ARG 66 Cb -0.04 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.76 1z3k s ARG 66 CO 0.01 0.06 -0.00 -0.06 -0.68 0.00 0.00 175.30 174.62 1z3k s PHE 67 N 0.73 0.82 -0.12 -0.53 0.08 0.28 -4.94 117.98 114.31 1z3k s PHE 67 Ca -0.06 -1.09 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 1z3k s PHE 67 Cb -0.15 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 1z3k s PHE 67 CO 0.01 -0.36 2.47 -2.39 -0.10 0.00 0.00 175.22 174.85 1z3k n HIS 68 N -0.05 0.51 -3.83 0.36 1.44 -1.26 -0.46 115.22 111.93 1z3k n HIS 68 Ca -0.10 -1.43 -0.10 0.00 -2.01 0.00 0.00 57.72 54.08 1z3k n HIS 68 Cb 0.62 -0.95 -0.08 0.00 0.12 0.00 0.00 29.99 29.70 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 -0.51 0.11 0.00 0.61 -1.32 -1.26 -4.94 115.64 108.32 1z3k s THR 69 Ca 0.29 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 1z3k s THR 69 Cb 0.17 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1z3k s THR 69 CO -0.02 -0.49 0.00 0.80 -2.21 0.00 0.00 174.62 172.70 1z3k n MET 70 N 0.57 0.00 0.00 7.08 0.00 -1.26 -4.50 117.12 119.00 1z3k n MET 70 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1z3k n MET 70 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.81 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 -0.01 6.12 2.03 -1.26 -4.52 116.55 118.91 1z3k n ASP 71 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1z3k n ASP 71 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.93 0.70 0.00 -0.67 -0.58 -1.26 -4.26 120.64 113.64 1z3k n GLU 72 Ca 0.00 -0.13 0.13 0.00 -0.42 0.00 0.00 57.16 56.75 1z3k n GLU 72 Cb 0.00 -1.37 0.68 0.00 -0.57 0.00 0.00 31.44 30.18 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 -1.96 0.00 0.01 -4.62 -0.00 -1.26 -2.59 117.00 106.59 1z3k n LEU 73 Ca -0.02 0.26 0.13 0.00 -0.00 0.00 0.00 56.01 56.38 1z3k n LEU 73 Cb 0.40 -0.26 0.41 0.00 -0.00 0.00 0.00 43.42 43.97 1z3k n LEU 73 CO 0.35 -0.03 0.69 0.52 -0.00 0.00 0.00 177.39 178.92 1z3k n VAL 74 N -1.26 0.07 -0.04 1.47 0.31 -1.26 0.18 118.33 117.80 1z3k n VAL 74 Ca 0.13 -0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1z3k n VAL 74 Cb 0.20 -0.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.83 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 -1.61 0.65 -0.03 5.55 2.13 -1.07 -4.44 120.64 121.83 1z3k n GLU 75 Ca 0.06 0.11 0.01 0.00 0.66 0.00 0.00 57.16 58.00 1z3k n GLU 75 Cb 0.35 -1.67 0.01 0.00 0.27 0.00 0.00 31.44 30.41 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 -2.81 0.00 -3.83 4.31 8.25 -1.23 -5.05 115.22 114.86 1z3k n HIS 76 Ca -0.20 -0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 56.68 1z3k n HIS 76 Cb 0.99 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.31 -1.90 0.00 4.41 4.11 0.48 -4.96 117.16 118.98 1z3k n TYR 77 Ca 0.01 0.62 0.00 0.00 -0.00 0.00 0.00 57.90 58.53 1z3k n TYR 77 Cb 0.41 -2.87 0.00 0.00 -0.00 0.00 0.00 39.34 36.88 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 -3.32 0.00 -1.53 -3.48 4.76 -1.01 -4.37 118.16 109.21 1z3k n LYS 78 Ca -0.24 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.80 1z3k n LYS 78 Cb 0.65 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.82 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 3.68 -4.11 1.97 4.01 -1.26 -4.88 118.16 117.57 1z3k n LYS 79 Ca 0.00 -2.52 -0.25 0.00 -0.51 0.00 0.00 58.31 55.03 1z3k n LYS 79 Cb 0.00 -2.87 -0.06 0.00 -0.51 0.00 0.00 35.03 31.59 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 1.79 3.51 -0.63 7.82 0.00 -1.26 -4.72 121.76 128.27 1z3k s ALA 80 Ca 0.62 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1z3k s ALA 80 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1z3k s ALA 80 CO -0.07 0.43 0.32 -0.35 0.00 0.00 0.00 175.76 176.10 1z3k n PRO 81 N -0.53 0.47 -1.65 0.00 -0.04 -1.26 -4.79 135.00 127.19 1z3k n PRO 81 Ca -0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1z3k n PRO 81 Cb 0.56 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.43 3.06 0.13 0.52 -1.09 -1.25 -4.92 121.20 117.21 1z3k s ILE 82 Ca 0.00 0.06 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1z3k s ILE 82 Cb 0.00 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1z3k s ILE 82 CO 0.00 -0.04 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.17 1z3k s PHE 83 N 7.69 1.43 0.06 3.97 0.08 -0.68 -4.95 117.98 125.58 1z3k s PHE 83 Ca 0.97 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 57.49 1z3k s PHE 83 Cb -0.33 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1z3k s PHE 83 CO 0.36 0.16 -0.12 0.99 -0.10 0.00 0.00 175.22 176.50 1z3k s THR 84 N -2.33 0.96 -0.08 0.64 2.01 -1.26 0.91 115.64 116.49 1z3k s THR 84 Ca 0.11 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1z3k s THR 84 Cb -0.04 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1z3k s THR 84 CO 0.03 -0.22 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.01 1z3k s SER 85 N -1.57 3.60 0.26 3.53 0.15 0.24 -4.93 113.70 114.97 1z3k s SER 85 Ca -0.03 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.13 1z3k s SER 85 Cb -0.09 -1.11 0.38 0.00 -1.71 0.00 0.00 66.02 63.49 1z3k s SER 85 CO 0.02 0.24 1.55 1.21 1.20 0.00 0.00 173.24 177.45 1z3k n GLU 86 N 2.99 -0.14 -0.24 5.44 0.00 -1.26 0.15 120.64 127.57 1z3k n GLU 86 Ca -0.18 1.54 0.32 0.00 0.00 0.00 0.00 57.16 58.84 1z3k n GLU 86 Cb 0.52 -2.30 0.74 0.00 0.00 0.00 0.00 31.44 30.40 1z3k n GLU 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1z3k h HIS 87 N 0.00 0.00 0.00 4.31 2.76 -2.07 -3.43 115.15 116.72 1z3k h HIS 87 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1z3k h HIS 87 Cb 0.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1z3k h HIS 87 CO -0.80 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 176.24 1z3k n GLY 88 N -1.73 1.63 3.76 5.26 0.00 0.39 -5.13 105.19 109.36 1z3k n GLY 88 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 4.18 -0.05 1.61 4.04 -0.80 -4.88 118.70 122.81 1z3k s GLU 89 Ca 0.00 0.36 0.04 0.00 0.04 0.00 0.00 54.97 55.41 1z3k s GLU 89 Cb 0.00 -3.36 0.00 0.00 0.02 0.00 0.00 34.13 30.79 1z3k s GLU 89 CO 0.00 0.35 -0.16 0.15 -1.84 0.00 0.00 175.26 173.76 1z3k s LYS 90 N 0.03 1.76 -0.59 -4.83 1.02 -1.26 0.82 119.74 116.69 1z3k s LYS 90 Ca 0.23 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1z3k s LYS 90 Cb -0.15 -1.50 0.15 0.00 -0.52 0.00 0.00 37.83 35.80 1z3k s LYS 90 CO 0.10 0.18 0.36 -1.17 -0.92 0.00 0.00 175.35 173.90 1z3k s LEU 91 N 0.21 4.70 0.16 3.17 1.98 0.26 -4.98 118.68 124.18 1z3k s LEU 91 Ca -0.07 -3.08 -0.07 0.00 -2.89 0.00 0.00 54.13 48.03 1z3k s LEU 91 Cb -0.13 -1.72 -0.02 0.00 0.66 0.00 0.00 46.19 44.99 1z3k s LEU 91 CO 0.03 -0.26 0.23 -0.72 -1.89 0.00 0.00 176.35 173.74 1z3k s TYR 92 N -0.38 0.56 -1.14 5.38 1.13 -1.26 -1.68 117.35 119.96 1z3k s TYR 92 Ca 0.18 -0.92 -0.08 0.00 -1.41 0.00 0.00 57.07 54.85 1z3k s TYR 92 Cb -0.22 -0.18 0.26 0.00 -1.10 0.00 0.00 41.96 40.73 1z3k s TYR 92 CO -0.03 -0.68 1.39 1.28 -2.51 0.00 0.00 175.55 175.01 1z3k n LEU 93 N -0.19 5.97 0.00 -3.49 4.77 -1.26 -4.63 117.00 118.17 1z3k n LEU 93 Ca -0.06 -4.99 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 1z3k n LEU 93 Cb 0.63 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1z3k n LEU 93 CO 0.26 1.41 0.00 0.55 -1.33 0.00 0.00 177.39 178.28 1z3k n VAL 94 N 2.48 0.00 -3.83 4.08 3.14 -1.26 -4.67 118.33 118.27 1z3k n VAL 94 Ca 0.28 0.16 -0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1z3k n VAL 94 Cb 0.37 -1.12 0.01 0.00 -1.06 0.00 0.00 33.84 32.03 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 0.76 -0.02 1.45 0.52 -1.22 -4.87 118.95 115.57 1z3k s ARG 95 Ca 0.00 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1z3k s ARG 95 Cb 0.00 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1z3k s ARG 95 CO 0.00 -0.35 1.15 0.00 0.02 0.00 0.00 175.30 176.11 1z3k s ALA 96 N -2.33 3.41 0.00 2.13 0.00 -1.24 -3.89 121.76 119.83 1z3k s ALA 96 Ca 0.21 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1z3k s ALA 96 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1z3k s ALA 96 CO 0.01 -0.57 0.00 -0.11 0.00 0.00 0.00 175.76 175.08 1z3k n LEU 97 N 4.62 0.00 -0.22 0.00 -0.00 -1.26 -4.75 117.00 115.38 1z3k n LEU 97 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.13 1z3k n LEU 97 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.92 1z3k n LEU 97 CO 0.54 0.00 0.34 1.67 -0.00 0.00 0.00 177.39 179.94