#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z4s n PHE 1 N 0.00 1.78 -2.62 -1.40 7.35 -1.26 -5.00 117.46 116.31 1z4s n PHE 1 Ca 0.00 -1.96 -0.43 0.00 -0.76 0.00 0.00 57.45 54.30 1z4s n PHE 1 Cb 0.00 -0.31 -0.02 0.00 0.35 0.00 0.00 39.48 39.50 1z4s n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1z4s s ASN 2 N -3.47 6.89 0.17 -2.13 0.01 -1.26 -5.02 114.94 110.13 1z4s s ASN 2 Ca 0.46 1.01 0.04 0.00 -0.71 0.00 0.00 52.86 53.66 1z4s s ASN 2 Cb 0.39 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 1z4s s ASN 2 CO -0.00 -0.92 0.23 -0.76 -1.51 0.00 0.00 177.10 174.14 1z4s s LEU 3 N 3.76 4.13 0.23 0.60 1.43 -1.26 -1.30 118.68 126.28 1z4s s LEU 3 Ca 0.46 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1z4s s LEU 3 Cb -0.12 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1z4s s LEU 3 CO 0.17 0.04 0.42 -2.16 0.23 0.00 0.00 176.35 175.06 1z4s s PRO 4 N -3.28 3.51 0.30 1.29 0.04 -1.26 -4.68 135.00 130.92 1z4s s PRO 4 Ca 0.33 -0.38 -0.24 0.00 0.04 0.00 0.00 61.00 60.75 1z4s s PRO 4 Cb -0.10 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 1z4s s PRO 4 CO 0.27 0.35 0.88 -1.25 0.04 0.00 0.00 177.00 177.29 1z4s s PRO 5 N -3.59 4.47 0.00 0.56 0.04 -1.26 -5.02 135.00 130.20 1z4s s PRO 5 Ca 0.38 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1z4s s PRO 5 Cb -0.10 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1z4s s PRO 5 CO 0.30 0.29 0.00 0.41 0.04 0.00 0.00 177.00 178.04 1z4s n GLY 6 N 0.53 3.92 4.03 0.56 0.00 -1.26 -5.14 105.19 107.83 1z4s n GLY 6 Ca 0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1z4s n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z4s s ASN 7 N 0.00 5.06 0.00 1.61 6.03 -1.26 -5.04 114.94 121.34 1z4s s ASN 7 Ca 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 52.86 51.01 1z4s s ASN 7 Cb 0.00 0.28 0.00 0.00 -3.03 0.00 0.00 41.25 38.50 1z4s s ASN 7 CO 0.00 -1.37 0.62 -1.22 -2.03 0.00 0.00 177.10 173.10 1z4s n TYR 8 N -2.27 0.00 0.27 1.54 4.01 -1.26 -4.86 117.16 114.58 1z4s n TYR 8 Ca 0.16 -0.19 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 1z4s n TYR 8 Cb 0.62 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 1z4s n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1z4s h LYS 9 N 0.00 -0.64 -6.05 -0.72 1.57 -1.97 -3.44 116.57 105.33 1z4s h LYS 9 Ca 0.00 0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 58.26 1z4s h LYS 9 Cb 0.56 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1z4s h LYS 9 CO 0.00 -0.36 -0.44 0.15 -0.57 0.00 0.00 179.45 178.23 1z4s s LYS 10 N -5.51 3.47 0.87 3.15 1.02 -1.26 -5.07 119.74 116.41 1z4s s LYS 10 Ca -0.16 -0.46 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 1z4s s LYS 10 Cb 0.03 -2.95 0.12 0.00 -0.52 0.00 0.00 37.83 34.51 1z4s s LYS 10 CO 0.58 0.52 1.16 -1.25 -0.92 0.00 0.00 175.35 175.44 1z4s s PRO 11 N -2.99 1.28 0.33 -1.68 0.04 -1.26 -4.82 135.00 125.89 1z4s s PRO 11 Ca 0.36 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1z4s s PRO 11 Cb -0.12 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1z4s s PRO 11 CO 0.28 -2.45 0.22 0.15 0.04 0.00 0.00 177.00 175.24 1z4s s LYS 12 N -4.52 1.71 -0.09 4.56 -0.14 0.69 -3.96 119.74 118.00 1z4s s LYS 12 Ca 0.68 -1.99 0.02 0.00 -1.36 0.00 0.00 55.97 53.32 1z4s s LYS 12 Cb -0.24 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.00 1z4s s LYS 12 CO 0.56 -0.56 -0.15 -0.51 -0.76 0.00 0.00 175.35 173.93 1z4s s LEU 13 N -3.40 1.71 -0.57 3.17 1.43 0.63 -1.05 118.68 120.61 1z4s s LEU 13 Ca 0.36 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 1z4s s LEU 13 Cb 0.03 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.35 1z4s s LEU 13 CO 0.22 0.04 0.67 -0.76 0.23 0.00 0.00 176.35 176.75 1z4s s LEU 14 N 0.76 5.31 -0.12 1.79 1.43 -1.26 -0.48 118.68 126.11 1z4s s LEU 14 Ca -0.12 -1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 51.46 1z4s s LEU 14 Cb -0.16 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1z4s s LEU 14 CO 0.02 -1.04 0.61 -0.47 0.23 0.00 0.00 176.35 175.70 1z4s s TYR 15 N 2.61 3.51 0.38 0.29 5.04 -0.67 -2.07 117.35 126.44 1z4s s TYR 15 Ca 0.12 1.05 -0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1z4s s TYR 15 Cb -0.23 -2.72 -0.04 0.00 0.35 0.00 0.00 41.96 39.32 1z4s s TYR 15 CO 0.08 0.05 0.65 0.00 -1.34 0.00 0.00 175.55 174.99 1z4s h SER 17 N 0.98 0.00 0.48 0.00 0.02 -1.28 -2.58 113.55 111.18 1z4s h SER 17 Ca -0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 1z4s h SER 17 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1z4s h SER 17 CO 0.63 0.11 -0.24 0.78 -1.14 0.00 0.00 176.83 176.97 1z4s h ASN 18 N 0.00 0.00 0.00 3.07 2.35 -1.86 -3.47 115.58 115.67 1z4s h ASN 18 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1z4s h ASN 18 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1z4s h ASN 18 CO 0.01 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 1z4s n GLY 20 N -0.43 1.70 3.48 2.83 0.00 -0.97 -5.01 105.19 106.79 1z4s n GLY 20 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1z4s n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1z4s s HIS 21 N -2.00 2.30 -0.04 1.61 3.76 -1.25 -4.65 115.29 115.02 1z4s s HIS 21 Ca 0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1z4s s HIS 21 Cb 0.00 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1z4s s HIS 21 CO 0.00 0.68 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.47 1z4s s PHE 22 N -2.55 3.00 0.18 1.40 0.08 -0.49 -0.17 117.98 119.43 1z4s s PHE 22 Ca 0.30 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 57.11 1z4s s PHE 22 Cb -0.03 -1.70 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1z4s s PHE 22 CO 0.15 0.39 1.22 -1.17 -0.10 0.00 0.00 175.22 175.71 1z4s s LEU 23 N -1.09 4.44 0.01 -0.37 2.96 -0.88 -1.96 118.68 121.79 1z4s s LEU 23 Ca 0.15 2.25 0.03 0.00 -0.22 0.00 0.00 54.13 56.34 1z4s s LEU 23 Cb -0.11 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1z4s s LEU 23 CO 0.04 -0.41 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.97 1z4s s ARG 24 N -0.15 0.75 -0.22 1.98 3.52 -0.11 -4.48 118.95 120.24 1z4s s ARG 24 Ca 0.54 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1z4s s ARG 24 Cb -0.33 -0.71 0.06 0.00 -1.56 0.00 0.00 34.95 32.41 1z4s s ARG 24 CO 0.36 0.19 -0.01 0.42 -0.81 0.00 0.00 175.30 175.45 1z4s s ILE 25 N -0.48 1.09 0.62 4.11 1.01 -1.05 -2.20 121.20 124.30 1z4s s ILE 25 Ca 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1z4s s ILE 25 Cb -0.05 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1z4s s ILE 25 CO 0.00 -0.16 1.01 -0.76 0.00 0.00 0.00 174.94 175.02 1z4s s LEU 26 N 1.59 3.19 0.19 2.97 1.43 -0.33 -4.86 118.68 122.86 1z4s s LEU 26 Ca -0.03 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1z4s s LEU 26 Cb -0.18 -4.17 0.21 0.00 0.03 0.00 0.00 46.19 42.08 1z4s s LEU 26 CO -0.07 -0.98 1.72 -0.65 0.23 0.00 0.00 176.35 176.60 1z4s h PRO 27 N -0.33 0.27 0.00 1.29 0.11 -1.99 -0.94 132.00 130.40 1z4s h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1z4s h PRO 27 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1z4s h PRO 27 CO 0.62 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 1z4s n ASP 28 N -5.08 0.34 0.00 -2.05 5.75 -1.26 -4.82 116.55 109.43 1z4s n ASP 28 Ca 0.06 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1z4s n ASP 28 Cb 0.25 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1z4s n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1z4s n GLY 29 N -0.91 0.88 3.75 6.12 0.00 -0.36 -4.96 105.19 109.71 1z4s n GLY 29 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1z4s n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1z4s s THR 30 N -2.00 3.81 -0.09 2.61 2.01 -1.25 -1.12 115.64 119.61 1z4s s THR 30 Ca 0.00 1.71 0.04 0.00 0.31 0.00 0.00 61.69 63.75 1z4s s THR 30 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1z4s s THR 30 CO 0.00 0.36 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 1z4s s VAL 31 N -0.80 2.20 0.00 3.82 1.01 -1.26 -1.19 120.40 124.17 1z4s s VAL 31 Ca 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1z4s s VAL 31 Cb -0.29 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1z4s s VAL 31 CO 0.36 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 175.12 1z4s n ASP 32 N 3.26 0.00 -4.40 3.32 5.75 -0.93 -4.46 116.55 119.09 1z4s n ASP 32 Ca -0.18 -0.55 -0.26 0.00 -0.01 0.00 0.00 54.79 53.79 1z4s n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1z4s n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1z4s s GLY 33 N -0.81 1.61 -0.08 6.12 0.00 0.36 -0.93 107.32 113.59 1z4s s GLY 33 Ca 0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 1z4s s GLY 33 CO 0.00 -1.61 0.21 -1.08 0.00 0.00 0.00 173.10 170.63 1z4s s THR 34 N -1.68 -0.00 -0.94 0.90 -1.32 -0.83 -4.75 115.64 107.03 1z4s s THR 34 Ca 0.19 0.01 0.26 0.00 -1.21 0.00 0.00 61.69 60.94 1z4s s THR 34 Cb -0.08 -0.30 0.10 0.00 -1.51 0.00 0.00 72.50 70.71 1z4s s THR 34 CO 0.09 0.00 1.59 0.54 -2.21 0.00 0.00 174.62 174.63 1z4s n ARG 35 N 3.03 0.05 -2.72 7.08 1.74 -1.26 -1.40 116.66 123.18 1z4s n ARG 35 Ca -0.13 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1z4s n ARG 35 Cb 0.58 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1z4s n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1z4s s ASP 36 N -3.25 6.50 0.48 0.55 2.15 -1.26 -4.91 116.67 116.93 1z4s s ASP 36 Ca 0.11 0.13 0.32 0.00 0.43 0.00 0.00 52.55 53.54 1z4s s ASP 36 Cb 0.17 -2.49 1.49 0.00 -0.30 0.00 0.00 42.92 41.79 1z4s s ASP 36 CO 0.64 -1.21 1.97 -0.09 -0.17 0.00 0.00 175.17 176.31 1z4s h ARG 37 N 9.24 0.00 0.00 4.34 9.65 -2.02 -2.48 114.38 133.11 1z4s h ARG 37 Ca -0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1z4s h ARG 37 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1z4s h ARG 37 CO 1.09 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.52 1z4s h SER 38 N 0.00 0.00 -2.89 -3.80 4.64 -2.00 -3.46 113.55 106.04 1z4s h SER 38 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1z4s h SER 38 Cb 0.30 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.54 1z4s h SER 38 CO 0.00 0.00 -0.09 -0.67 -0.87 0.00 0.00 176.83 175.20 1z4s n ASP 39 N -2.54 0.25 -2.04 4.97 -0.08 -0.94 -4.91 116.55 111.26 1z4s n ASP 39 Ca 0.05 0.93 -0.26 0.00 -1.51 0.00 0.00 54.79 54.00 1z4s n ASP 39 Cb 0.44 -1.26 0.08 0.00 2.34 0.00 0.00 41.12 42.72 1z4s n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z4s n GLN 40 N 0.11 2.94 -0.28 -0.67 1.13 -1.26 -4.36 117.38 114.98 1z4s n GLN 40 Ca 0.11 -3.63 0.00 0.00 -1.94 0.00 0.00 57.00 51.54 1z4s n GLN 40 Cb 0.41 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.54 1z4s n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1z4s n HIS 41 N -0.87 0.00 -0.11 1.08 8.25 -1.26 -4.83 115.22 117.48 1z4s n HIS 41 Ca 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 58.03 1z4s n HIS 41 Cb 0.88 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 32.13 1z4s n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1z4s n ILE 42 N 0.00 0.89 -3.15 1.59 -5.35 -1.26 -2.54 119.36 109.54 1z4s n ILE 42 Ca 0.00 -0.95 -0.42 0.00 -0.27 0.00 0.00 62.75 61.12 1z4s n ILE 42 Cb 0.61 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 39.02 1z4s n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1z4s s GLN 43 N -1.00 3.66 0.12 6.28 1.11 -1.26 -4.52 119.66 124.05 1z4s s GLN 43 Ca 0.23 -0.01 0.09 0.00 0.01 0.00 0.00 55.36 55.68 1z4s s GLN 43 Cb 0.12 -3.81 -0.04 0.00 -1.01 0.00 0.00 33.01 28.27 1z4s s GLN 43 CO 0.17 -0.71 -0.15 -0.51 0.01 0.00 0.00 175.29 174.09 1z4s s LEU 44 N 2.61 2.81 -0.24 2.90 1.43 -0.21 -3.92 118.68 124.05 1z4s s LEU 44 Ca 0.23 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1z4s s LEU 44 Cb -0.15 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1z4s s LEU 44 CO 0.14 0.17 -0.10 -1.58 0.23 0.00 0.00 176.35 175.21 1z4s s GLN 45 N -2.25 2.60 0.03 1.70 2.00 -0.62 -0.22 119.66 122.90 1z4s s GLN 45 Ca 0.20 -1.12 -0.16 0.00 -2.00 0.00 0.00 55.36 52.28 1z4s s GLN 45 Cb -0.10 -2.88 -0.06 0.00 0.80 0.00 0.00 33.01 30.76 1z4s s GLN 45 CO 0.12 -0.45 0.46 -0.51 -0.50 0.00 0.00 175.29 174.41 1z4s s LEU 46 N 1.22 4.47 0.10 3.68 1.02 -1.26 -1.08 118.68 126.84 1z4s s LEU 46 Ca -0.03 1.04 0.03 0.00 0.02 0.00 0.00 54.13 55.19 1z4s s LEU 46 Cb -0.17 -2.74 -0.04 0.00 0.02 0.00 0.00 46.19 43.26 1z4s s LEU 46 CO -0.06 0.29 -0.08 -0.55 0.02 0.00 0.00 176.35 175.97 1z4s s SER 47 N -1.18 1.31 -0.08 2.29 0.15 -0.48 -4.78 113.70 110.94 1z4s s SER 47 Ca 0.27 -0.93 0.04 0.00 0.70 0.00 0.00 55.95 56.02 1z4s s SER 47 Cb -0.17 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1z4s s SER 47 CO 0.16 -0.38 -0.20 0.00 1.20 0.00 0.00 173.24 174.02 1z4s s ALA 48 N -3.14 2.36 -0.12 5.45 0.00 -1.26 -1.10 121.76 123.94 1z4s s ALA 48 Ca 0.10 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 1z4s s ALA 48 Cb 0.02 -0.87 -0.26 0.00 0.00 0.00 0.00 23.12 22.01 1z4s s ALA 48 CO -0.02 0.39 0.36 -1.91 0.00 0.00 0.00 175.76 174.57 1z4s n GLU 49 N 3.05 0.75 -0.90 0.00 4.07 -0.84 -5.01 120.64 121.76 1z4s n GLU 49 Ca -0.18 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1z4s n GLU 49 Cb 0.52 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 1z4s n GLU 49 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1z4s n SER 50 N -3.46 0.00 -4.66 4.31 7.64 -1.25 -5.05 113.62 111.15 1z4s n SER 50 Ca -0.32 -0.61 -0.43 0.00 1.01 0.00 0.00 58.87 58.53 1z4s n SER 50 Cb 1.05 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.23 1z4s n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1z4s s VAL 51 N -2.33 4.65 0.00 0.44 1.01 -1.26 -3.25 120.40 119.66 1z4s s VAL 51 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1z4s s VAL 51 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1z4s s VAL 51 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1z4s n GLY 52 N 3.33 1.26 3.32 4.51 0.00 -1.26 -5.04 105.19 111.31 1z4s n GLY 52 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1z4s n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z4s s GLU 53 N -0.48 3.32 0.27 1.61 2.02 -1.20 0.05 118.70 124.28 1z4s s GLU 53 Ca 0.00 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.33 1z4s s GLU 53 Cb 0.00 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.48 1z4s s GLU 53 CO 0.00 0.06 0.01 0.14 0.02 0.00 0.00 175.26 175.48 1z4s s VAL 54 N 0.74 1.21 -0.06 2.63 -7.23 0.44 -1.99 120.40 116.13 1z4s s VAL 54 Ca -0.05 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1z4s s VAL 54 Cb -0.15 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1z4s s VAL 54 CO 0.01 -0.21 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.12 1z4s s TYR 55 N -3.30 1.82 -0.25 2.82 2.02 -0.26 -1.58 117.35 118.62 1z4s s TYR 55 Ca 0.32 -0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 1z4s s TYR 55 Cb 0.06 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 1z4s s TYR 55 CO 0.12 -0.27 0.02 0.42 -1.57 0.00 0.00 175.55 174.27 1z4s s ILE 56 N 0.34 3.79 -0.02 2.71 1.01 -1.26 -1.38 121.20 126.39 1z4s s ILE 56 Ca -0.11 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1z4s s ILE 56 Cb -0.15 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1z4s s ILE 56 CO 0.04 0.32 -0.07 -0.54 0.00 0.00 0.00 174.94 174.69 1z4s s LYS 57 N 1.52 2.59 0.97 2.79 1.02 -0.24 -2.07 119.74 126.33 1z4s s LYS 57 Ca 0.05 -0.68 -0.16 0.00 0.02 0.00 0.00 55.97 55.20 1z4s s LYS 57 Cb -0.15 -2.51 0.20 0.00 -0.52 0.00 0.00 37.83 34.85 1z4s s LYS 57 CO 0.00 0.62 1.30 0.45 -0.92 0.00 0.00 175.35 176.80 1z4s s SER 58 N -1.23 3.01 0.01 2.83 0.15 0.29 -1.59 113.70 117.16 1z4s s SER 58 Ca 0.16 0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.87 1z4s s SER 58 Cb -0.11 -0.39 -0.17 0.00 -1.71 0.00 0.00 66.02 63.64 1z4s s SER 58 CO 0.06 -2.80 1.27 0.71 1.20 0.00 0.00 173.24 173.67 1z4s h THR 59 N -1.69 0.78 -0.74 6.45 1.35 -1.90 -3.14 112.91 114.02 1z4s h THR 59 Ca -0.45 -0.62 0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1z4s h THR 59 Cb 1.24 1.11 -0.06 0.00 -1.73 0.00 0.00 68.15 68.72 1z4s h THR 59 CO 0.39 0.13 0.44 0.71 -0.25 0.00 0.00 175.52 176.94 1z4s h THR 61 N -0.69 1.01 0.00 6.82 1.35 -1.94 -3.46 112.91 116.00 1z4s h THR 61 Ca -0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1z4s h THR 61 Cb 0.48 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1z4s h THR 61 CO 0.06 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1z4s n GLY 62 N -1.30 0.89 3.86 5.82 0.00 -1.19 -5.14 105.19 108.13 1z4s n GLY 62 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1z4s n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1z4s s GLN 63 N 0.00 3.93 -0.20 1.61 -0.21 -1.26 -4.78 119.66 118.74 1z4s s GLN 63 Ca 0.00 0.47 -0.09 0.00 0.02 0.00 0.00 55.36 55.77 1z4s s GLN 63 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 1z4s s GLN 63 CO 0.00 0.32 0.09 0.71 -2.12 0.00 0.00 175.29 174.29 1z4s s TYR 64 N -1.76 3.29 0.30 0.91 1.51 -0.58 -0.55 117.35 120.47 1z4s s TYR 64 Ca 0.47 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 56.37 1z4s s TYR 64 Cb -0.12 -2.14 -0.10 0.00 -0.11 0.00 0.00 41.96 39.49 1z4s s TYR 64 CO 0.20 0.14 1.29 -1.17 -1.11 0.00 0.00 175.55 174.90 1z4s s LEU 65 N 0.54 4.44 0.15 -1.29 2.96 -0.88 0.13 118.68 124.74 1z4s s LEU 65 Ca 0.05 2.58 -0.08 0.00 -0.22 0.00 0.00 54.13 56.47 1z4s s LEU 65 Cb -0.12 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1z4s s LEU 65 CO 0.01 -0.49 0.24 0.00 -1.32 0.00 0.00 176.35 174.79 1z4s s ALA 66 N -0.88 0.09 -0.07 5.97 0.00 0.04 -4.40 121.76 122.51 1z4s s ALA 66 Ca 0.50 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1z4s s ALA 66 Cb -0.38 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1z4s s ALA 66 CO 0.48 -0.60 -0.08 1.41 0.00 0.00 0.00 175.76 176.97 1z4s s MET 67 N -3.96 1.33 0.91 0.00 1.75 -1.04 -0.95 119.30 117.34 1z4s s MET 67 Ca 0.16 -0.25 -0.12 0.00 -1.25 0.00 0.00 55.69 54.23 1z4s s MET 67 Cb 0.04 -1.24 0.19 0.00 2.84 0.00 0.00 34.83 36.66 1z4s s MET 67 CO -0.01 -0.09 1.25 0.16 -0.65 0.00 0.00 175.02 175.68 1z4s s ASP 68 N 1.03 3.34 0.00 1.11 1.47 -0.48 -4.85 116.67 118.29 1z4s s ASP 68 Ca -0.08 0.04 0.07 0.00 1.18 0.00 0.00 52.55 53.76 1z4s s ASP 68 Cb -0.14 -0.13 0.36 0.00 -0.34 0.00 0.00 42.92 42.67 1z4s s ASP 68 CO -0.00 -2.56 0.97 0.35 0.68 0.00 0.00 175.17 174.60 1z4s n THR 69 N -3.55 0.48 0.62 2.11 -2.24 -1.26 -0.95 114.28 109.48 1z4s n THR 69 Ca 0.16 0.12 0.07 0.00 -2.27 0.00 0.00 64.05 62.13 1z4s n THR 69 Cb 0.60 -1.01 0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1z4s n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1z4s n ASP 70 N -1.15 1.77 0.00 3.42 8.00 -1.26 -4.99 116.55 122.33 1z4s n ASP 70 Ca 0.04 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1z4s n ASP 70 Cb 0.04 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1z4s n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1z4s n GLY 71 N 0.97 0.70 3.56 0.44 0.00 -0.13 -4.72 105.19 106.01 1z4s n GLY 71 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1z4s n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z4s s LEU 72 N 0.00 3.05 0.32 0.99 1.02 -1.26 -0.86 118.68 121.94 1z4s s LEU 72 Ca 0.00 -0.10 -0.25 0.00 0.02 0.00 0.00 54.13 53.80 1z4s s LEU 72 Cb 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 46.19 44.43 1z4s s LEU 72 CO 0.00 0.34 0.92 -0.76 0.02 0.00 0.00 176.35 176.86 1z4s s LEU 73 N -0.94 4.31 0.12 1.79 1.43 -1.26 -1.39 118.68 122.75 1z4s s LEU 73 Ca 0.13 1.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.80 1z4s s LEU 73 Cb -0.11 -4.00 0.05 0.00 0.03 0.00 0.00 46.19 42.17 1z4s s LEU 73 CO 0.03 -0.07 0.51 -0.72 0.23 0.00 0.00 176.35 176.32 1z4s s TYR 74 N -1.64 -0.39 -0.23 0.29 1.13 -0.12 -4.63 117.35 111.75 1z4s s TYR 74 Ca 0.50 0.21 -0.19 0.00 -1.41 0.00 0.00 57.07 56.17 1z4s s TYR 74 Cb -0.18 0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 1z4s s TYR 74 CO 0.23 -0.74 0.58 0.20 -2.51 0.00 0.00 175.55 173.30 1z4s s GLY 75 N -2.58 1.92 -0.07 5.49 0.00 -0.28 -0.78 107.32 111.02 1z4s s GLY 75 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1z4s s GLY 75 CO -0.10 1.29 0.20 -0.45 0.00 0.00 0.00 173.10 174.04 1z4s s SER 76 N 1.37 6.47 0.05 1.64 0.15 0.12 -4.69 113.70 118.81 1z4s s SER 76 Ca 0.25 0.55 -0.18 0.00 0.70 0.00 0.00 55.95 57.27 1z4s s SER 76 Cb -0.16 -2.10 -0.16 0.00 -1.71 0.00 0.00 66.02 61.90 1z4s s SER 76 CO 0.09 0.36 1.27 1.56 1.20 0.00 0.00 173.24 177.73 1z4s h GLN 77 N 4.71 0.52 -6.57 5.44 1.08 -1.92 -1.54 115.11 116.83 1z4s h GLN 77 Ca -0.53 -0.37 -0.69 0.00 -1.45 0.00 0.00 58.65 55.60 1z4s h GLN 77 Cb 1.22 0.06 -0.26 0.00 -0.05 0.00 0.00 27.48 28.45 1z4s h GLN 77 CO 0.61 0.99 -0.84 0.95 -0.95 0.00 0.00 178.83 179.58 1z4s s THR 78 N -3.87 2.47 0.30 -0.54 -4.23 -1.26 -4.82 115.64 103.69 1z4s s THR 78 Ca -0.13 -1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1z4s s THR 78 Cb 0.06 -1.96 -0.10 0.00 1.34 0.00 0.00 72.50 71.85 1z4s s THR 78 CO 0.81 0.47 1.18 -2.16 -0.54 0.00 0.00 174.62 174.38 1z4s s PRO 79 N -0.99 4.53 0.00 3.99 0.04 -1.26 -4.96 135.00 136.36 1z4s s PRO 79 Ca 0.12 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1z4s s PRO 79 Cb -0.10 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1z4s s PRO 79 CO 0.02 0.06 0.00 0.27 0.04 0.00 0.00 177.00 177.39 1z4s n ASN 80 N 1.05 0.00 0.03 6.66 0.23 -1.26 -5.04 115.26 116.93 1z4s n ASN 80 Ca -0.01 -0.32 0.11 0.00 -0.53 0.00 0.00 54.58 53.83 1z4s n ASN 80 Cb 0.44 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.60 1z4s n ASN 80 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1z4s n GLU 81 N 0.00 0.05 0.00 -3.83 0.28 -1.26 -2.79 120.64 113.10 1z4s n GLU 81 Ca 0.00 0.16 0.14 0.00 -0.16 0.00 0.00 57.16 57.30 1z4s n GLU 81 Cb 0.00 -1.58 0.49 0.00 1.43 0.00 0.00 31.44 31.78 1z4s n GLU 81 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1z4s n GLU 82 N -1.67 1.08 0.00 3.44 1.02 -1.26 -3.98 120.64 119.27 1z4s n GLU 82 Ca 0.05 -0.57 0.10 0.00 -0.02 0.00 0.00 57.16 56.72 1z4s n GLU 82 Cb 0.27 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 1z4s n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1z4s s LEU 84 N -2.74 4.38 0.10 0.00 1.43 -1.26 -4.62 118.68 115.98 1z4s s LEU 84 Ca 0.12 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 1z4s s LEU 84 Cb 0.16 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1z4s s LEU 84 CO 0.72 -0.24 -0.19 -0.36 0.23 0.00 0.00 176.35 176.50 1z4s s PHE 85 N 0.93 1.69 -0.31 0.29 0.08 -0.62 -2.45 117.98 117.60 1z4s s PHE 85 Ca 0.51 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 1z4s s PHE 85 Cb -0.21 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1z4s s PHE 85 CO 0.28 0.19 0.23 -0.51 -0.10 0.00 0.00 175.22 175.30 1z4s s LEU 86 N -1.95 4.27 -0.29 -0.37 1.43 -0.47 -0.42 118.68 120.89 1z4s s LEU 86 Ca 0.06 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 1z4s s LEU 86 Cb -0.10 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1z4s s LEU 86 CO 0.04 -0.15 0.51 -0.70 0.23 0.00 0.00 176.35 176.28 1z4s s GLU 87 N 1.76 3.95 0.24 1.70 2.12 0.11 -2.32 118.70 126.25 1z4s s GLU 87 Ca 0.07 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.61 1z4s s GLU 87 Cb -0.17 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 1z4s s GLU 87 CO 0.11 -0.43 0.03 1.03 -0.54 0.00 0.00 175.26 175.46 1z4s s ARG 88 N 2.34 1.35 0.24 4.30 1.81 -0.80 -4.69 118.95 123.50 1z4s s ARG 88 Ca 0.21 -1.70 -0.08 0.00 -1.72 0.00 0.00 55.73 52.44 1z4s s ARG 88 Cb -0.15 -0.46 -0.07 0.00 -0.45 0.00 0.00 34.95 33.82 1z4s s ARG 88 CO 0.10 -0.17 0.54 -1.17 -0.68 0.00 0.00 175.30 173.92 1z4s s LEU 89 N -3.30 4.14 -0.05 2.53 2.96 -0.42 -1.79 118.68 122.76 1z4s s LEU 89 Ca 0.31 0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1z4s s LEU 89 Cb 0.07 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.16 1z4s s LEU 89 CO 0.10 -0.10 0.13 -0.70 -1.32 0.00 0.00 176.35 174.46 1z4s s GLU 90 N -3.01 0.11 -1.66 1.98 2.56 -0.85 -4.84 118.70 112.99 1z4s s GLU 90 Ca 0.46 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.69 1z4s s GLU 90 Cb -0.11 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 35.96 1z4s s GLU 90 CO 0.24 -0.09 0.00 0.39 -0.56 0.00 0.00 175.26 175.24 1z4s n GLU 91 N 3.61 -1.33 -1.29 4.30 -0.58 -1.26 -1.38 120.64 122.71 1z4s n GLU 91 Ca -0.20 1.04 -0.10 0.00 -0.42 0.00 0.00 57.16 57.48 1z4s n GLU 91 Cb 0.55 -5.31 -0.04 0.00 -0.57 0.00 0.00 31.44 26.07 1z4s n GLU 91 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1z4s n ASN 92 N -0.92 -4.64 0.11 1.62 4.13 -1.26 -4.78 115.26 109.51 1z4s n ASN 92 Ca -0.16 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1z4s n ASN 92 Cb 0.57 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.78 1z4s n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1z4s n HIS 93 N -2.56 -2.15 -1.96 3.10 -0.00 -0.54 -5.16 115.22 105.95 1z4s n HIS 93 Ca -0.10 0.45 -0.29 0.00 0.46 0.00 0.00 57.72 58.24 1z4s n HIS 93 Cb 0.40 0.95 0.14 0.00 -0.12 0.00 0.00 29.99 31.36 1z4s n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1z4s s TYR 94 N -2.00 2.25 -0.03 1.57 1.51 -0.48 -4.83 117.35 115.33 1z4s s TYR 94 Ca 0.00 0.49 0.02 0.00 -1.01 0.00 0.00 57.07 56.57 1z4s s TYR 94 Cb 0.00 -3.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.05 1z4s s TYR 94 CO 0.00 -2.18 -0.06 -0.80 -1.11 0.00 0.00 175.55 171.40 1z4s s ASN 95 N -4.73 4.66 0.04 2.29 -0.87 -0.68 -2.01 114.94 113.64 1z4s s ASN 95 Ca 0.68 -0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.91 1z4s s ASN 95 Cb -0.07 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 40.00 1z4s s ASN 95 CO 0.51 0.32 -0.09 0.42 -2.57 0.00 0.00 177.10 175.69 1z4s s THR 96 N -0.92 0.63 -0.11 1.60 -4.23 -0.74 -1.43 115.64 110.44 1z4s s THR 96 Ca 0.15 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1z4s s THR 96 Cb -0.11 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 73.08 1z4s s THR 96 CO 0.05 -0.30 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.37 1z4s s TYR 97 N -1.23 1.95 -0.07 3.99 2.02 -1.26 -1.91 117.35 120.84 1z4s s TYR 97 Ca -0.07 -0.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.74 1z4s s TYR 97 Cb -0.09 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1z4s s TYR 97 CO 0.01 -0.48 -0.17 0.42 -1.57 0.00 0.00 175.55 173.76 1z4s s ILE 98 N 1.01 2.81 0.01 2.71 1.01 -0.98 -1.86 121.20 125.92 1z4s s ILE 98 Ca -0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1z4s s ILE 98 Cb -0.15 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 1z4s s ILE 98 CO -0.02 0.57 1.73 -0.55 0.00 0.00 0.00 174.94 176.67 1z4s s SER 99 N -0.37 6.59 0.10 3.58 0.15 -0.84 -1.36 113.70 121.55 1z4s s SER 99 Ca 0.03 2.44 -0.20 0.00 0.70 0.00 0.00 55.95 58.92 1z4s s SER 99 Cb -0.12 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.56 1z4s s SER 99 CO 0.02 -0.94 1.66 0.50 1.20 0.00 0.00 173.24 175.68 1z4s h LYS 100 N 9.35 0.29 -0.69 5.44 3.64 -1.82 0.12 116.57 132.89 1z4s h LYS 100 Ca -0.43 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1z4s h LYS 100 Cb 1.20 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1z4s h LYS 100 CO 0.94 0.32 0.41 -0.22 -2.27 0.00 0.00 179.45 178.64 1z4s h LYS 101 N 0.18 0.77 -0.74 1.90 3.64 -1.81 -2.59 116.57 117.92 1z4s h LYS 101 Ca 0.07 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.10 1z4s h LYS 101 Cb 0.13 -0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 31.60 1z4s h LYS 101 CO -0.01 0.51 0.33 0.72 -2.27 0.00 0.00 179.45 178.73 1z4s n HIS 102 N -4.71 2.36 -0.31 1.91 8.25 -1.15 -4.71 115.22 116.85 1z4s n HIS 102 Ca 0.08 -1.47 0.09 0.00 -0.26 0.00 0.00 57.72 56.17 1z4s n HIS 102 Cb 0.12 -0.72 0.31 0.00 1.12 0.00 0.00 29.99 30.82 1z4s n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1z4s h ALA 103 N 1.79 1.68 0.00 -1.41 0.00 -0.34 -2.35 119.26 118.63 1z4s h ALA 103 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1z4s h ALA 103 Cb 2.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1z4s h ALA 103 CO 0.78 0.08 0.00 1.05 0.00 0.00 0.00 179.25 181.16 1z4s h GLU 104 N 0.84 0.00 -0.01 0.00 9.09 -1.85 -2.62 114.58 120.03 1z4s h GLU 104 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1z4s h GLU 104 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1z4s h GLU 104 CO -0.23 0.00 -0.40 1.63 0.05 0.00 0.00 179.01 180.07 1z4s n LYS 105 N -2.45 1.44 -3.30 1.06 5.02 -0.89 -5.02 118.16 114.02 1z4s n LYS 105 Ca 0.01 -0.97 -0.16 0.00 -2.02 0.00 0.00 58.31 55.17 1z4s n LYS 105 Cb 0.18 -1.40 0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1z4s n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1z4s n ASN 106 N 0.01 -4.92 -4.42 4.39 3.02 -0.99 -4.99 115.26 107.37 1z4s n ASN 106 Ca 0.08 -0.67 -0.44 0.00 -0.03 0.00 0.00 54.58 53.53 1z4s n ASN 106 Cb 0.42 -5.13 -0.07 0.00 -0.61 0.00 0.00 39.78 34.39 1z4s n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1z4s s TRP 107 N -3.37 3.16 0.67 3.10 0.51 -1.26 -4.75 118.94 117.00 1z4s s TRP 107 Ca 0.29 -0.72 -0.02 0.00 -2.12 0.00 0.00 56.10 53.52 1z4s s TRP 107 Cb -0.04 -3.30 0.08 0.00 -0.81 0.00 0.00 33.47 29.41 1z4s s TRP 107 CO 0.73 -0.89 0.94 -0.06 -0.51 0.00 0.00 176.95 177.16 1z4s s PHE 108 N 2.09 2.36 -0.09 -1.98 0.40 -1.26 -1.98 117.98 117.53 1z4s s PHE 108 Ca 0.09 0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.31 1z4s s PHE 108 Cb -0.22 -3.02 -0.05 0.00 0.51 0.00 0.00 43.02 40.24 1z4s s PHE 108 CO 0.09 -1.39 0.34 0.08 0.70 0.00 0.00 175.22 175.04 1z4s s VAL 109 N -3.08 5.21 -0.00 -0.44 1.01 -0.77 -4.58 120.40 117.74 1z4s s VAL 109 Ca 0.62 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 1z4s s VAL 109 Cb -0.08 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1z4s s VAL 109 CO 0.43 0.49 0.72 -0.83 0.00 0.00 0.00 175.10 175.91 1z4s s GLY 110 N -0.34 -0.54 0.01 4.51 0.00 -1.26 -4.26 107.32 105.45 1z4s s GLY 110 Ca 0.20 1.16 0.08 0.00 0.00 0.00 0.00 44.72 46.16 1z4s s GLY 110 CO 0.08 0.69 -0.23 1.08 0.00 0.00 0.00 173.10 174.72 1z4s s LEU 111 N -1.74 2.32 0.50 0.66 1.43 -1.02 -0.94 118.68 119.89 1z4s s LEU 111 Ca -0.05 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1z4s s LEU 111 Cb -0.00 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1z4s s LEU 111 CO 0.01 0.29 0.83 -0.54 0.23 0.00 0.00 176.35 177.17 1z4s s LYS 112 N -1.06 3.58 0.61 1.70 1.02 0.11 -4.55 119.74 121.15 1z4s s LYS 112 Ca 0.12 0.35 0.30 0.00 0.02 0.00 0.00 55.97 56.76 1z4s s LYS 112 Cb -0.10 -2.32 1.67 0.00 -0.52 0.00 0.00 37.83 36.56 1z4s s LYS 112 CO 0.02 -0.26 2.04 0.87 -0.92 0.00 0.00 175.35 177.10 1z4s h LYS 113 N 0.24 0.00 -0.70 1.68 1.57 -1.95 -0.92 116.57 116.49 1z4s h LYS 113 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1z4s h LYS 113 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1z4s h LYS 113 CO 0.62 0.00 0.05 0.27 -0.57 0.00 0.00 179.45 179.82 1z4s n ASN 114 N -3.58 4.69 0.00 0.86 0.23 -1.26 -4.91 115.26 111.29 1z4s n ASN 114 Ca 0.02 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.27 1z4s n ASN 114 Cb 0.39 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1z4s n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1z4s n GLY 115 N 0.37 1.76 3.87 4.83 0.00 -0.35 -4.99 105.19 110.68 1z4s n GLY 115 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1z4s n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z4s s SER 116 N -3.38 6.66 0.51 1.61 1.04 -1.25 0.13 113.70 119.02 1z4s s SER 116 Ca 0.00 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 1z4s s SER 116 Cb 0.00 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.82 1z4s s SER 116 CO 0.00 -0.04 1.29 0.00 0.98 0.00 0.00 173.24 175.46 1z4s s LYS 118 N -2.81 3.51 0.05 0.00 2.20 -0.12 -4.68 119.74 117.89 1z4s s LYS 118 Ca 0.68 -0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.74 1z4s s LYS 118 Cb -0.36 -2.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.93 1z4s s LYS 118 CO 0.43 0.56 0.76 0.50 -0.36 0.00 0.00 175.35 177.24 1z4s s ARG 119 N -2.53 4.49 0.13 4.03 3.52 -1.26 -4.59 118.95 122.74 1z4s s ARG 119 Ca 0.37 1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 56.77 1z4s s ARG 119 Cb -0.13 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1z4s s ARG 119 CO 0.26 0.31 1.45 0.78 -0.81 0.00 0.00 175.30 177.29 1z4s h GLY 120 N 5.57 -1.15 1.66 8.12 0.00 -1.25 0.64 103.07 116.66 1z4s h GLY 120 Ca -0.44 0.86 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1z4s h GLY 120 CO 0.70 -0.13 0.09 -1.05 0.00 0.00 0.00 176.54 176.15 1z4s n PRO 121 N -4.88 0.02 -0.19 4.80 -0.02 -1.26 -0.88 135.00 132.59 1z4s n PRO 121 Ca 0.02 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1z4s n PRO 121 Cb 0.22 -1.64 0.18 0.00 -0.02 0.00 0.00 33.50 32.24 1z4s n PRO 121 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1z4s n ARG 122 N -1.52 2.40 -4.21 -0.52 5.12 0.21 -4.98 116.66 113.16 1z4s n ARG 122 Ca -0.00 -2.08 -0.31 0.00 -1.93 0.00 0.00 57.85 53.52 1z4s n ARG 122 Cb 0.09 -1.37 -0.08 0.00 -1.16 0.00 0.00 32.46 29.94 1z4s n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1z4s s THR 123 N -1.10 4.09 0.19 0.55 -4.23 -0.06 -4.92 115.64 110.17 1z4s s THR 123 Ca 0.30 -0.79 -0.22 0.00 -1.18 0.00 0.00 61.69 59.80 1z4s s THR 123 Cb 0.17 -2.88 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1z4s s THR 123 CO 0.22 0.25 0.63 -1.38 -0.54 0.00 0.00 174.62 173.81 1z4s s HIS 124 N -1.20 -0.44 0.32 3.99 -3.43 -1.26 -4.78 115.29 108.49 1z4s s HIS 124 Ca 0.23 0.17 -0.28 0.00 -0.80 0.00 0.00 55.06 54.37 1z4s s HIS 124 Cb -0.12 0.60 -0.13 0.00 -1.43 0.00 0.00 32.58 31.50 1z4s s HIS 124 CO 0.14 -0.95 1.21 0.66 -2.00 0.00 0.00 174.74 173.80 1z4s n TYR 125 N -0.40 1.96 0.00 0.38 4.01 -1.26 -2.98 117.16 118.87 1z4s n TYR 125 Ca -0.14 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1z4s n TYR 125 Cb 0.63 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.30 1z4s n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1z4s n GLY 126 N 0.99 0.44 3.93 2.72 0.00 -1.26 -5.09 105.19 106.93 1z4s n GLY 126 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1z4s n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1z4s s GLN 127 N -0.75 3.52 0.13 1.61 -0.21 -1.16 -4.99 119.66 117.80 1z4s s GLN 127 Ca 0.00 -0.35 0.25 0.00 0.02 0.00 0.00 55.36 55.28 1z4s s GLN 127 Cb 0.00 -2.80 0.58 0.00 1.00 0.00 0.00 33.01 31.79 1z4s s GLN 127 CO 0.00 0.35 1.53 1.63 -2.12 0.00 0.00 175.29 176.68 1z4s n LYS 128 N -0.91 0.24 0.24 2.91 4.76 -1.26 -3.90 118.16 120.24 1z4s n LYS 128 Ca -0.05 0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 1z4s n LYS 128 Cb 0.54 -1.70 0.56 0.00 -1.84 0.00 0.00 35.03 32.59 1z4s n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1z4s h ALA 129 N 2.59 1.06 -0.14 7.82 0.00 -1.94 -3.11 119.26 125.53 1z4s h ALA 129 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1z4s h ALA 129 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1z4s h ALA 129 CO 0.00 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.90 1z4s n ILE 130 N -3.38 0.16 -3.40 0.00 -5.35 -1.25 -2.44 119.36 103.69 1z4s n ILE 130 Ca -0.00 -0.58 -0.41 0.00 -0.27 0.00 0.00 62.75 61.49 1z4s n ILE 130 Cb 0.37 1.34 -0.09 0.00 -1.74 0.00 0.00 39.64 39.52 1z4s n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1z4s s LEU 131 N -1.84 4.53 0.45 7.28 1.43 -1.18 -4.44 118.68 124.91 1z4s s LEU 131 Ca 0.31 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1z4s s LEU 131 Cb 0.21 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1z4s s LEU 131 CO 0.31 -0.37 0.16 -0.36 0.23 0.00 0.00 176.35 176.31 1z4s s PHE 132 N 2.00 2.35 -0.18 0.29 0.40 -0.52 -1.30 117.98 121.02 1z4s s PHE 132 Ca 0.11 -0.69 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1z4s s PHE 132 Cb -0.17 -1.87 0.09 0.00 0.51 0.00 0.00 43.02 41.58 1z4s s PHE 132 CO 0.12 0.14 0.32 -1.17 0.70 0.00 0.00 175.22 175.33 1z4s s LEU 133 N -3.92 -0.43 -0.78 -0.37 2.96 -0.37 -1.68 118.68 114.09 1z4s s LEU 133 Ca 0.34 0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 54.52 1z4s s LEU 133 Cb 0.04 0.91 0.04 0.00 0.50 0.00 0.00 46.19 47.68 1z4s s LEU 133 CO 0.19 -0.26 1.25 -2.16 -1.32 0.00 0.00 176.35 174.05 1z4s s PRO 134 N 2.48 3.26 0.32 0.98 0.04 -1.26 -1.67 135.00 139.15 1z4s s PRO 134 Ca 0.03 -0.54 -0.14 0.00 0.04 0.00 0.00 61.00 60.39 1z4s s PRO 134 Cb -0.13 -4.41 -0.09 0.00 0.04 0.00 0.00 34.50 29.91 1z4s s PRO 134 CO -0.11 -2.09 0.72 -0.51 0.04 0.00 0.00 177.00 175.04 1z4s s LEU 135 N 5.23 4.07 0.95 -3.56 1.02 0.37 -4.81 118.68 121.95 1z4s s LEU 135 Ca 0.35 1.24 -0.12 0.00 0.02 0.00 0.00 54.13 55.61 1z4s s LEU 135 Cb -0.08 -4.04 0.16 0.00 0.02 0.00 0.00 46.19 42.25 1z4s s LEU 135 CO 0.09 -0.20 1.09 -2.84 0.02 0.00 0.00 176.35 174.51 1z4s s PRO 136 N -2.99 0.82 0.00 1.29 0.02 -1.26 -0.27 135.00 132.60 1z4s s PRO 136 Ca 0.53 0.71 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1z4s s PRO 136 Cb -0.10 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1z4s s PRO 136 CO 0.18 -2.51 0.00 0.28 -0.33 0.00 0.00 177.00 174.62