#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z81 s ILE 26 N 0.00 4.47 -0.29 12.58 -1.09 -1.26 -4.93 121.20 130.68 1z81 s ILE 26 Ca 0.00 -1.36 -0.23 0.00 -2.23 0.00 0.00 60.65 56.83 1z81 s ILE 26 Cb 0.00 -4.88 0.14 0.00 -1.58 0.00 0.00 42.46 36.14 1z81 s ILE 26 CO 0.00 -1.66 1.12 -0.51 -1.23 0.00 0.00 174.94 172.66 1z81 s ILE 27 N 3.41 0.00 0.14 2.92 2.07 -1.26 -5.14 121.20 123.34 1z81 s ILE 27 Ca 0.38 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.30 1z81 s ILE 27 Cb -0.03 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.47 1z81 s ILE 27 CO -0.09 0.00 1.55 -2.84 -1.91 0.00 0.00 174.94 171.65 1z81 s PRO 28 N 0.39 4.23 0.16 3.50 0.02 -1.26 -4.96 135.00 137.08 1z81 s PRO 28 Ca 0.02 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 1z81 s PRO 28 Cb -0.05 -3.24 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 1z81 s PRO 28 CO -0.10 -0.60 1.21 1.52 -0.33 0.00 0.00 177.00 178.70 1z81 s TYR 29 N 1.36 3.42 0.51 6.54 1.13 -1.26 -5.02 117.35 124.03 1z81 s TYR 29 Ca 0.70 1.38 -0.09 0.00 -1.41 0.00 0.00 57.07 57.64 1z81 s TYR 29 Cb -0.42 -3.44 -0.05 0.00 -1.10 0.00 0.00 41.96 36.95 1z81 s TYR 29 CO 0.31 -1.29 0.88 -0.47 -2.51 0.00 0.00 175.55 172.47 1z81 s TYR 30 N 0.18 3.56 0.42 -3.49 6.14 -1.26 -4.94 117.35 117.95 1z81 s TYR 30 Ca 0.54 1.07 0.24 0.00 0.64 0.00 0.00 57.07 59.56 1z81 s TYR 30 Cb -0.32 -2.50 1.27 0.00 0.42 0.00 0.00 41.96 40.82 1z81 s TYR 30 CO 0.35 -0.38 1.69 1.25 0.64 0.00 0.00 175.55 179.10 1z81 h LEU 31 N 0.32 0.34 -0.40 6.97 6.46 -2.01 -0.13 115.31 126.87 1z81 h LEU 31 Ca -0.46 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1z81 h LEU 31 Cb 1.19 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1z81 h LEU 31 CO 0.62 -0.07 0.03 0.28 -0.62 0.00 0.00 178.44 178.69 1z81 h SER 32 N 0.23 0.66 0.00 1.25 0.02 -1.92 -3.02 113.55 110.76 1z81 h SER 32 Ca 0.72 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1z81 h SER 32 Cb 2.06 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1z81 h SER 32 CO -0.38 0.78 0.03 0.59 -1.14 0.00 0.00 176.83 176.71 1z81 n ASN 33 N -4.49 0.00 -0.01 3.07 3.02 -0.06 -0.98 115.26 115.81 1z81 n ASN 33 Ca -0.01 0.35 0.09 0.00 -0.03 0.00 0.00 54.58 54.99 1z81 n ASN 33 Cb 0.26 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.94 1z81 n ASN 33 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1z81 n LEU 34 N -1.34 0.21 -4.92 3.41 4.77 -1.14 -5.00 117.00 112.99 1z81 n LEU 34 Ca 0.00 -0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.60 1z81 n LEU 34 Cb 0.03 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1z81 n LEU 34 CO 0.00 0.05 0.47 -0.76 -1.33 0.00 0.00 177.39 175.83 1z81 s LEU 35 N -3.98 3.39 0.12 2.23 1.43 -0.15 -4.92 118.68 116.80 1z81 s LEU 35 Ca -0.04 0.71 0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1z81 s LEU 35 Cb 0.13 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 1z81 s LEU 35 CO 0.79 -0.89 1.03 0.71 0.23 0.00 0.00 176.35 178.22 1z81 h THR 36 N 0.01 0.77 -2.90 5.49 1.35 -1.95 -3.42 112.91 112.27 1z81 h THR 36 Ca -0.46 -2.30 -0.55 0.00 -0.55 0.00 0.00 66.41 62.56 1z81 h THR 36 Cb 1.24 2.27 -0.40 0.00 -1.73 0.00 0.00 68.15 69.54 1z81 h THR 36 CO 0.60 0.44 -0.77 0.21 -0.25 0.00 0.00 175.52 175.75 1z81 s ASN 37 N -6.11 3.67 0.52 5.36 3.84 -1.26 -5.03 114.94 115.93 1z81 s ASN 37 Ca -0.01 -1.47 0.43 0.00 0.21 0.00 0.00 52.86 52.03 1z81 s ASN 37 Cb 0.08 -0.53 1.63 0.00 -0.55 0.00 0.00 41.25 41.89 1z81 s ASN 37 CO 0.80 -0.42 1.60 -0.65 -2.79 0.00 0.00 177.10 175.63 1z81 h PRO 38 N 8.21 0.01 -0.04 0.43 0.11 -1.81 0.39 132.00 139.31 1z81 h PRO 38 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1z81 h PRO 38 Cb 1.01 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1z81 h PRO 38 CO 0.44 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 1z81 n SER 39 N -4.23 0.50 -4.79 -2.05 3.41 -1.26 -4.84 113.62 100.37 1z81 n SER 39 Ca 0.41 -1.43 -0.37 0.00 -0.26 0.00 0.00 58.87 57.23 1z81 n SER 39 Cb 1.79 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 65.65 1z81 n SER 39 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1z81 s ASN 40 N -1.68 7.30 0.50 4.04 0.01 0.14 -4.97 114.94 120.28 1z81 s ASN 40 Ca 0.33 1.81 -0.21 0.00 -0.71 0.00 0.00 52.86 54.08 1z81 s ASN 40 Cb 0.16 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 1z81 s ASN 40 CO 0.26 -0.09 1.12 -2.84 -1.51 0.00 0.00 177.10 174.04 1z81 s PRO 41 N -2.15 3.58 -0.04 -0.60 0.02 -1.25 -4.90 135.00 129.66 1z81 s PRO 41 Ca 0.51 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1z81 s PRO 41 Cb -0.18 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.20 1z81 s PRO 41 CO 0.23 -0.66 -0.02 0.08 -0.33 0.00 0.00 177.00 176.30 1z81 s VAL 42 N -1.73 0.38 0.14 3.83 1.01 -1.26 -0.59 120.40 122.18 1z81 s VAL 42 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1z81 s VAL 42 Cb -0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1z81 s VAL 42 CO 0.28 0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.92 1z81 n VAL 43 N 4.32 0.00 -3.59 2.92 0.24 -0.20 0.02 118.33 122.03 1z81 n VAL 43 Ca -0.21 -0.66 -0.08 0.00 -2.04 0.00 0.00 64.34 61.35 1z81 n VAL 43 Cb 0.50 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 1z81 n VAL 43 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1z81 s PHE 44 N -1.52 -0.34 -0.06 6.34 -0.12 -1.16 -1.82 117.98 119.28 1z81 s PHE 44 Ca 0.00 0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 56.93 1z81 s PHE 44 Cb 0.00 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 43.02 1z81 s PHE 44 CO 0.00 -0.84 0.15 -1.64 -0.05 0.00 0.00 175.22 172.84 1z81 s MET 45 N -3.53 0.12 -0.20 1.99 -1.94 -0.66 -2.76 119.30 112.32 1z81 s MET 45 Ca 0.06 0.31 -0.16 0.00 -1.71 0.00 0.00 55.69 54.20 1z81 s MET 45 Cb -0.02 -0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1z81 s MET 45 CO -0.05 -0.11 0.41 -0.51 -0.01 0.00 0.00 175.02 174.74 1z81 s ASP 46 N 0.78 6.44 -0.14 3.03 1.01 0.10 -0.30 116.67 127.59 1z81 s ASP 46 Ca -0.06 0.52 -0.03 0.00 0.71 0.00 0.00 52.55 53.68 1z81 s ASP 46 Cb -0.08 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 1z81 s ASP 46 CO -0.04 -0.09 -0.02 -0.63 0.21 0.00 0.00 175.17 174.60 1z81 s ILE 47 N 1.37 4.04 -0.09 0.77 -1.09 -0.01 -1.62 121.20 124.56 1z81 s ILE 47 Ca 0.19 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 1z81 s ILE 47 Cb -0.15 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1z81 s ILE 47 CO 0.08 0.52 -0.22 0.20 -1.23 0.00 0.00 174.94 174.29 1z81 s ASN 48 N 0.05 2.86 -0.57 3.58 0.01 -1.04 -0.19 114.94 119.64 1z81 s ASN 48 Ca 0.01 -0.51 -0.26 0.00 -0.71 0.00 0.00 52.86 51.39 1z81 s ASN 48 Cb -0.13 -1.28 0.04 0.00 0.41 0.00 0.00 41.25 40.29 1z81 s ASN 48 CO 0.02 0.14 1.04 -0.22 -1.51 0.00 0.00 177.10 176.58 1z81 s LEU 49 N 0.37 3.85 0.00 0.60 2.96 0.19 -2.83 118.68 123.83 1z81 s LEU 49 Ca -0.17 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1z81 s LEU 49 Cb -0.17 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.61 1z81 s LEU 49 CO 0.08 -1.35 0.00 0.61 -1.32 0.00 0.00 176.35 174.37 1z81 n GLY 50 N 5.12 1.31 0.00 7.98 0.00 0.26 -1.86 105.19 118.00 1z81 n GLY 50 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1z81 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1z81 n ASN 51 N 4.35 0.44 -4.41 1.61 3.02 -1.26 -4.87 115.26 114.13 1z81 n ASN 51 Ca 0.00 -0.98 -0.32 0.00 -0.03 0.00 0.00 54.58 53.25 1z81 n ASN 51 Cb 0.00 0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1z81 n ASN 51 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1z81 s ASN 52 N -0.01 3.62 0.44 6.41 0.02 -0.78 -5.05 114.94 119.60 1z81 s ASN 52 Ca 0.00 -0.32 -0.23 0.00 -1.02 0.00 0.00 52.86 51.29 1z81 s ASN 52 Cb 0.00 -0.63 -0.11 0.00 0.02 0.00 0.00 41.25 40.54 1z81 s ASN 52 CO 0.00 0.33 0.82 0.33 0.02 0.00 0.00 177.10 178.60 1z81 n PHE 53 N 2.30 0.47 0.00 2.20 7.35 -1.26 0.56 117.46 129.07 1z81 n PHE 53 Ca -0.17 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1z81 n PHE 53 Cb 0.52 -2.12 0.00 0.00 0.35 0.00 0.00 39.48 38.22 1z81 n PHE 53 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1z81 n LEU 54 N 0.64 0.92 0.00 -2.13 7.94 0.73 -4.63 117.00 120.47 1z81 n LEU 54 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1z81 n LEU 54 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1z81 n LEU 54 CO 0.55 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 1z81 n GLY 55 N 2.35 -0.41 3.19 -3.96 0.00 -1.13 -4.92 105.19 100.30 1z81 n GLY 55 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1z81 n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1z81 s LYS 56 N -2.00 3.01 -0.06 1.61 2.20 -1.26 -0.83 119.74 122.39 1z81 s LYS 56 Ca 0.00 -0.86 -0.25 0.00 -0.36 0.00 0.00 55.97 54.51 1z81 s LYS 56 Cb 0.00 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1z81 s LYS 56 CO 0.00 0.06 0.76 -0.06 -0.36 0.00 0.00 175.35 175.75 1z81 s PHE 57 N 0.63 3.58 -0.34 4.03 0.08 0.59 -4.49 117.98 122.05 1z81 s PHE 57 Ca -0.12 1.33 0.02 0.00 0.12 0.00 0.00 56.93 58.28 1z81 s PHE 57 Cb -0.16 -2.88 0.09 0.00 -0.57 0.00 0.00 43.02 39.50 1z81 s PHE 57 CO 0.02 0.04 0.05 0.15 -0.10 0.00 0.00 175.22 175.38 1z81 s LYS 58 N 0.95 1.82 -0.12 0.44 1.02 -1.26 -1.66 119.74 120.93 1z81 s LYS 58 Ca 0.40 -1.71 -0.05 0.00 0.02 0.00 0.00 55.97 54.63 1z81 s LYS 58 Cb -0.18 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1z81 s LYS 58 CO 0.19 -0.87 0.07 -0.06 -0.92 0.00 0.00 175.35 173.77 1z81 s PHE 59 N 1.02 3.36 -0.31 3.18 2.99 -0.76 -1.52 117.98 125.94 1z81 s PHE 59 Ca 0.05 0.31 -0.11 0.00 0.00 0.00 0.00 56.93 57.18 1z81 s PHE 59 Cb -0.20 -1.91 -0.02 0.00 0.00 0.00 0.00 43.02 40.89 1z81 s PHE 59 CO -0.06 0.51 0.19 -2.00 -0.00 0.00 0.00 175.22 173.86 1z81 s GLU 60 N -0.67 3.54 0.17 0.44 2.12 0.12 -1.04 118.70 123.38 1z81 s GLU 60 Ca 0.12 -0.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.60 1z81 s GLU 60 Cb -0.12 -3.66 -0.08 0.00 0.26 0.00 0.00 34.13 30.53 1z81 s GLU 60 CO 0.02 -0.36 0.77 -0.51 -0.54 0.00 0.00 175.26 174.64 1z81 s LEU 61 N 1.68 4.59 -1.15 2.70 1.43 0.25 -2.19 118.68 125.98 1z81 s LEU 61 Ca 0.06 1.64 -0.16 0.00 -1.03 0.00 0.00 54.13 54.63 1z81 s LEU 61 Cb -0.17 -3.30 0.14 0.00 0.03 0.00 0.00 46.19 42.89 1z81 s LEU 61 CO 0.09 0.21 1.42 -0.36 0.23 0.00 0.00 176.35 177.94 1z81 s PHE 62 N -1.16 3.22 0.12 0.29 0.08 -1.03 -3.84 117.98 115.66 1z81 s PHE 62 Ca 0.36 -1.80 -0.02 0.00 0.12 0.00 0.00 56.93 55.59 1z81 s PHE 62 Cb -0.23 -4.41 -0.15 0.00 -0.57 0.00 0.00 43.02 37.65 1z81 s PHE 62 CO 0.26 -1.53 1.26 0.37 -0.10 0.00 0.00 175.22 175.48 1z81 h GLN 63 N 7.77 0.27 0.03 0.44 5.75 -1.89 -0.79 115.11 126.69 1z81 h GLN 63 Ca 0.30 -0.36 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1z81 h GLN 63 Cb 0.91 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1z81 h GLN 63 CO 1.27 1.10 -0.29 -2.95 -2.65 0.00 0.00 178.83 175.31 1z81 h ASN 64 N 0.12 -0.84 0.14 -0.69 -1.07 -1.93 -2.69 115.58 108.62 1z81 h ASN 64 Ca -0.09 0.11 -0.35 0.00 0.07 0.00 0.00 56.30 56.04 1z81 h ASN 64 Cb 1.73 0.34 -0.06 0.00 -2.07 0.00 0.00 38.32 38.25 1z81 h ASN 64 CO 0.17 -0.36 -2.19 -0.38 0.07 0.00 0.00 177.43 174.74 1z81 n ILE 65 N -5.39 1.49 -2.80 6.14 5.41 -1.25 -4.64 119.36 118.32 1z81 n ILE 65 Ca -0.05 -0.79 -0.23 0.00 1.00 0.00 0.00 62.75 62.67 1z81 n ILE 65 Cb 0.31 -0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 38.40 1z81 n ILE 65 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1z81 n VAL 66 N -2.94 2.10 -0.01 1.39 0.31 -0.30 -4.93 118.33 113.95 1z81 n VAL 66 Ca -0.30 -4.92 0.21 0.00 -0.01 0.00 0.00 64.34 59.32 1z81 n VAL 66 Cb 1.10 -0.93 0.71 0.00 -0.91 0.00 0.00 33.84 33.81 1z81 n VAL 66 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1z81 h PRO 67 N 2.86 0.00 0.18 5.55 0.13 -1.54 0.17 132.00 139.35 1z81 h PRO 67 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1z81 h PRO 67 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1z81 h PRO 67 CO 0.74 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.29 1z81 h LYS 68 N 0.00 -0.24 -0.03 0.86 6.56 -1.91 -2.89 116.57 118.92 1z81 h LYS 68 Ca 0.27 0.02 -0.21 0.00 -1.06 0.00 0.00 60.65 59.67 1z81 h LYS 68 Cb 1.11 0.05 0.02 0.00 -0.57 0.00 0.00 32.23 32.84 1z81 h LYS 68 CO -0.00 0.17 -0.79 1.79 -2.06 0.00 0.00 179.45 178.56 1z81 h THR 69 N -0.83 1.34 -0.82 -0.16 1.35 -1.93 -3.11 112.91 108.75 1z81 h THR 69 Ca -0.03 -2.10 0.20 0.00 -0.55 0.00 0.00 66.41 63.93 1z81 h THR 69 Cb 0.52 2.39 -0.13 0.00 -1.73 0.00 0.00 68.15 69.20 1z81 h THR 69 CO 0.04 0.64 0.17 -1.28 -0.25 0.00 0.00 175.52 174.84 1z81 h SER 70 N 0.19 -0.07 -0.54 5.36 0.87 -0.78 0.17 113.55 118.75 1z81 h SER 70 Ca -0.09 0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1z81 h SER 70 Cb 1.46 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.66 1z81 h SER 70 CO 0.16 -0.13 0.02 -0.33 -0.53 0.00 0.00 176.83 176.02 1z81 h GLU 71 N 0.21 0.95 -0.97 2.24 4.39 -1.53 -2.43 114.58 117.43 1z81 h GLU 71 Ca 0.49 -0.29 0.12 0.00 0.34 0.00 0.00 59.36 60.01 1z81 h GLU 71 Cb 0.92 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.40 1z81 h GLU 71 CO -0.62 0.95 0.61 -0.97 -1.16 0.00 0.00 179.01 177.82 1z81 h ASN 72 N 0.83 0.86 0.08 1.42 -1.24 -0.62 0.02 115.58 116.93 1z81 h ASN 72 Ca 0.16 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 1z81 h ASN 72 Cb 0.51 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1z81 h ASN 72 CO 0.02 0.46 -0.04 0.15 -1.29 0.00 0.00 177.43 176.74 1z81 h PHE 73 N 0.93 -0.10 -0.85 0.67 3.04 -1.18 -3.17 116.94 116.26 1z81 h PHE 73 Ca 0.48 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.54 1z81 h PHE 73 Cb 0.52 0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 1z81 h PHE 73 CO -0.00 0.42 0.48 -0.09 -2.02 0.00 0.00 178.31 177.10 1z81 h ARG 74 N -0.73 0.74 -0.61 1.11 2.43 -1.10 -1.67 114.38 114.55 1z81 h ARG 74 Ca -0.01 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1z81 h ARG 74 Cb 0.57 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1z81 h ARG 74 CO 0.02 0.49 0.23 1.96 -1.51 0.00 0.00 179.97 181.16 1z81 h GLN 75 N 0.77 0.40 0.00 0.20 1.08 -1.05 -1.71 115.11 114.79 1z81 h GLN 75 Ca 0.43 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.51 1z81 h GLN 75 Cb 0.46 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1z81 h GLN 75 CO -0.28 0.26 -0.43 0.74 -0.95 0.00 0.00 178.83 178.17 1z81 h PHE 76 N 0.41 0.00 -0.05 2.96 0.04 -1.29 -0.52 116.94 118.49 1z81 h PHE 76 Ca 0.31 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.07 1z81 h PHE 76 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1z81 h PHE 76 CO -0.17 0.43 -0.01 0.00 -0.60 0.00 0.00 178.31 177.96 1z81 h THR 78 N -0.26 0.68 -0.15 0.00 1.35 -1.47 -3.17 112.91 109.90 1z81 h THR 78 Ca 0.01 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1z81 h THR 78 Cb 0.40 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1z81 h THR 78 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1z81 n GLY 79 N 1.21 1.26 3.04 5.82 0.00 -0.52 -4.97 105.19 111.02 1z81 n GLY 79 Ca 0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1z81 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z81 n GLU 80 N -0.56 3.81 -3.60 1.61 1.02 -0.32 -4.66 120.64 117.95 1z81 n GLU 80 Ca 0.00 -3.94 -0.03 0.00 -0.02 0.00 0.00 57.16 53.17 1z81 n GLU 80 Cb 0.14 -2.80 -0.02 0.00 -0.02 0.00 0.00 31.44 28.75 1z81 n GLU 80 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1z81 s TYR 81 N -0.44 -0.12 -0.00 -0.32 6.14 -1.26 -4.82 117.35 116.52 1z81 s TYR 81 Ca 0.37 0.05 -0.00 0.00 0.64 0.00 0.00 57.07 58.13 1z81 s TYR 81 Cb 0.05 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.96 1z81 s TYR 81 CO 0.03 -0.25 0.01 -1.59 0.64 0.00 0.00 175.55 174.38 1z81 s LYS 82 N -2.48 -0.00 -0.41 4.97 0.00 -1.22 -2.72 119.74 117.88 1z81 s LYS 82 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 55.97 56.13 1z81 s LYS 82 Cb 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 37.83 37.92 1z81 s LYS 82 CO -0.05 -0.02 0.15 0.14 0.00 0.00 0.00 175.35 175.58 1z81 s VAL 83 N 0.13 1.98 -0.26 1.79 -7.23 -0.68 -4.55 120.40 111.58 1z81 s VAL 83 Ca -0.01 -2.52 -0.02 0.00 -1.81 0.00 0.00 61.98 57.62 1z81 s VAL 83 Cb -0.02 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1z81 s VAL 83 CO -0.00 -0.72 0.23 -0.46 -0.31 0.00 0.00 175.10 173.83 1z81 n ASN 84 N 3.88 -2.75 -2.36 4.85 6.94 -1.26 -3.16 115.26 121.40 1z81 n ASN 84 Ca 0.04 -0.11 -0.21 0.00 -0.02 0.00 0.00 54.58 54.28 1z81 n ASN 84 Cb 0.38 -1.40 -0.01 0.00 -2.36 0.00 0.00 39.78 36.39 1z81 n ASN 84 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1z81 n ASN 85 N 0.33 -5.92 -4.66 0.53 4.13 -1.26 -5.00 115.26 103.41 1z81 n ASN 85 Ca -0.01 0.01 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 1z81 n ASN 85 Cb 0.51 -4.94 -0.08 0.00 -1.54 0.00 0.00 39.78 33.73 1z81 n ASN 85 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1z81 s LEU 86 N -5.99 3.06 -0.09 3.41 2.34 -1.19 -5.00 118.68 115.23 1z81 s LEU 86 Ca 0.00 -0.93 -0.30 0.00 0.06 0.00 0.00 54.13 52.96 1z81 s LEU 86 Cb 0.00 -1.46 -0.02 0.00 -0.56 0.00 0.00 46.19 44.15 1z81 s LEU 86 CO 0.00 -0.26 1.10 -2.16 -1.06 0.00 0.00 176.35 173.97 1z81 s PRO 87 N -3.76 4.38 -0.04 1.48 0.04 -1.26 -1.69 135.00 134.15 1z81 s PRO 87 Ca 0.36 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.97 1z81 s PRO 87 Cb -0.01 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1z81 s PRO 87 CO 0.20 -0.40 -0.22 0.08 0.04 0.00 0.00 177.00 176.70 1z81 s VAL 88 N 2.19 1.82 -0.04 -0.36 1.01 -1.10 -4.87 120.40 119.04 1z81 s VAL 88 Ca 0.52 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1z81 s VAL 88 Cb -0.21 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1z81 s VAL 88 CO 0.19 0.51 0.82 0.61 0.00 0.00 0.00 175.10 177.23 1z81 n GLY 89 N 2.89 0.27 0.00 4.51 0.00 -1.26 -4.38 105.19 107.22 1z81 n GLY 89 Ca -0.17 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.06 1z81 n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1z81 n TYR 90 N -0.59 0.00 -1.93 1.61 4.01 -0.66 -4.64 117.16 114.95 1z81 n TYR 90 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1z81 n TYR 90 Cb 0.35 -0.13 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 1z81 n TYR 90 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1z81 s LYS 91 N -2.27 2.87 -1.05 -0.72 2.20 -1.26 -2.85 119.74 116.66 1z81 s LYS 91 Ca 0.38 1.79 -0.04 0.00 -0.36 0.00 0.00 55.97 57.74 1z81 s LYS 91 Cb 0.21 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.64 1z81 s LYS 91 CO 0.41 -1.27 0.20 0.09 -0.36 0.00 0.00 175.35 174.41 1z81 n ASN 92 N -1.77 -3.59 -1.78 1.43 3.02 0.29 -4.95 115.26 107.92 1z81 n ASN 92 Ca 0.13 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1z81 n ASN 92 Cb 0.50 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 1z81 n ASN 92 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1z81 n THR 93 N -3.54 0.00 -3.97 3.41 5.66 -1.13 -4.86 114.28 109.85 1z81 n THR 93 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1z81 n THR 93 Cb 0.57 -0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 68.41 1z81 n THR 93 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1z81 n ILE 94 N -0.82 0.00 -3.78 1.09 -5.35 -1.26 -0.67 119.36 108.57 1z81 n ILE 94 Ca 0.00 -1.47 -0.36 0.00 -0.27 0.00 0.00 62.75 60.65 1z81 n ILE 94 Cb 0.00 0.93 -0.11 0.00 -1.74 0.00 0.00 39.64 38.71 1z81 n ILE 94 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1z81 s PHE 95 N -3.23 3.54 -1.07 4.28 0.08 -0.25 -2.14 117.98 119.18 1z81 s PHE 95 Ca 0.24 -2.55 0.24 0.00 0.12 0.00 0.00 56.93 54.98 1z81 s PHE 95 Cb -0.01 -3.19 1.04 0.00 -0.57 0.00 0.00 43.02 40.29 1z81 s PHE 95 CO 0.17 -0.93 1.77 -2.39 -0.10 0.00 0.00 175.22 173.74 1z81 n HIS 96 N 4.23 0.00 -3.60 0.36 1.44 -0.98 -4.57 115.22 112.10 1z81 n HIS 96 Ca 0.01 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.47 1z81 n HIS 96 Cb 0.40 -0.46 -0.17 0.00 0.12 0.00 0.00 29.99 29.88 1z81 n HIS 96 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1z81 s ARG 97 N -2.93 0.06 -0.31 -1.40 3.52 -1.08 -3.94 118.95 112.87 1z81 s ARG 97 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1z81 s ARG 97 Cb 0.16 -1.65 0.08 0.00 -1.56 0.00 0.00 34.95 31.97 1z81 s ARG 97 CO 0.42 -0.64 0.00 0.08 -0.81 0.00 0.00 175.30 174.36 1z81 s VAL 98 N 2.16 2.56 -0.41 7.11 1.01 -0.74 -0.86 120.40 131.23 1z81 s VAL 98 Ca 0.03 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 1z81 s VAL 98 Cb -0.16 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.69 1z81 s VAL 98 CO -0.09 -0.29 0.20 -0.63 0.00 0.00 0.00 175.10 174.29 1z81 s ILE 99 N 1.09 3.38 0.51 2.22 1.01 -0.07 -4.84 121.20 124.50 1z81 s ILE 99 Ca -0.00 -1.95 -0.20 0.00 0.00 0.00 0.00 60.65 58.49 1z81 s ILE 99 Cb -0.20 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 1z81 s ILE 99 CO -0.05 -0.65 0.76 1.17 0.00 0.00 0.00 174.94 176.18 1z81 n LYS 100 N 4.64 0.83 -0.89 2.79 4.81 -1.26 -1.52 118.16 127.56 1z81 n LYS 100 Ca -0.04 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1z81 n LYS 100 Cb 0.42 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1z81 n LYS 100 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1z81 n GLU 101 N -0.13 -0.82 0.00 1.64 -0.58 -1.26 -4.70 120.64 114.79 1z81 n GLU 101 Ca 0.11 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1z81 n GLU 101 Cb 0.44 -4.08 0.00 0.00 -0.57 0.00 0.00 31.44 27.23 1z81 n GLU 101 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1z81 n PHE 102 N -2.25 0.00 -3.61 -0.32 7.35 -0.57 -4.76 117.46 113.30 1z81 n PHE 102 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1z81 n PHE 102 Cb 0.21 0.39 -0.01 0.00 0.35 0.00 0.00 39.48 40.42 1z81 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1z81 s MET 103 N -0.96 0.33 0.03 -4.13 0.23 -0.67 -1.83 119.30 112.30 1z81 s MET 103 Ca 0.00 -0.18 0.07 0.00 -1.03 0.00 0.00 55.69 54.55 1z81 s MET 103 Cb 0.00 0.12 -0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1z81 s MET 103 CO 0.00 -0.15 -0.20 0.96 -2.03 0.00 0.00 175.02 173.60 1z81 s ILE 104 N -2.37 1.62 0.04 3.16 -4.36 -1.05 -0.90 121.20 117.34 1z81 s ILE 104 Ca 0.13 -1.14 -0.05 0.00 -0.26 0.00 0.00 60.65 59.34 1z81 s ILE 104 Cb 0.04 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 1z81 s ILE 104 CO -0.04 0.23 0.08 0.00 0.24 0.00 0.00 174.94 175.45 1z81 s GLN 105 N -1.07 0.59 0.00 0.37 -2.07 -0.04 -0.01 119.66 117.42 1z81 s GLN 105 Ca 0.07 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 1z81 s GLN 105 Cb -0.09 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1z81 s GLN 105 CO 0.01 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 1z81 n GLY 106 N 0.72 1.79 2.02 2.60 0.00 -0.86 -2.31 105.19 109.15 1z81 n GLY 106 Ca -0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1z81 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z81 n GLY 107 N 0.00 0.32 3.16 -0.02 0.00 -0.91 -2.72 105.19 105.03 1z81 n GLY 107 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1z81 n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1z81 n ASP 108 N 1.57 5.44 0.13 1.61 -0.08 -1.26 -4.17 116.55 119.79 1z81 n ASP 108 Ca -0.02 -3.18 0.12 0.00 -1.51 0.00 0.00 54.79 50.20 1z81 n ASP 108 Cb 0.52 -1.25 0.49 0.00 2.34 0.00 0.00 41.12 43.22 1z81 n ASP 108 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1z81 n PHE 109 N 2.15 0.86 0.08 -0.67 1.16 -1.26 -0.77 117.46 119.01 1z81 n PHE 109 Ca 0.24 0.33 -0.11 0.00 -1.87 0.00 0.00 57.45 56.05 1z81 n PHE 109 Cb 0.37 -1.03 -0.07 0.00 -1.61 0.00 0.00 39.48 37.14 1z81 n PHE 109 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1z81 h ILE 110 N 0.00 0.75 0.00 1.97 2.04 -1.91 -3.42 117.51 116.94 1z81 h ILE 110 Ca 0.00 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 64.71 1z81 h ILE 110 Cb 0.40 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1z81 h ILE 110 CO 0.00 0.19 -1.47 0.59 0.00 0.00 0.00 178.15 177.45 1z81 n ASN 111 N -4.96 3.34 -0.17 1.72 5.03 -1.24 -4.92 115.26 114.07 1z81 n ASN 111 Ca -0.08 -0.03 -0.02 0.00 0.87 0.00 0.00 54.58 55.33 1z81 n ASN 111 Cb 0.26 0.22 -0.01 0.00 -1.02 0.00 0.00 39.78 39.23 1z81 n ASN 111 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1z81 n HIS 112 N -2.53 -0.03 0.00 3.10 8.25 0.05 -4.87 115.22 119.20 1z81 n HIS 112 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1z81 n HIS 112 Cb 0.69 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.88 1z81 n HIS 112 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1z81 n ASN 113 N 1.67 0.14 0.00 0.41 6.94 -1.26 -4.98 115.26 118.18 1z81 n ASN 113 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 1z81 n ASN 113 Cb 0.19 0.39 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1z81 n ASN 113 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1z81 n GLY 114 N 0.43 1.58 0.62 4.83 0.00 -1.26 -5.01 105.19 106.38 1z81 n GLY 114 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1z81 n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1z81 n SER 115 N 0.00 0.91 -4.39 1.61 7.64 -1.26 -5.07 113.62 113.06 1z81 n SER 115 Ca 0.00 0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.67 1z81 n SER 115 Cb 0.00 -0.38 0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1z81 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1z81 n GLY 116 N 2.24 -2.04 3.54 0.23 0.00 -1.26 -4.99 105.19 102.90 1z81 n GLY 116 Ca -0.24 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1z81 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1z81 s SER 117 N -1.30 -0.65 -0.20 1.61 0.15 -1.26 -4.78 113.70 107.27 1z81 s SER 117 Ca 0.63 1.22 -0.34 0.00 0.70 0.00 0.00 55.95 58.16 1z81 s SER 117 Cb -0.38 1.23 0.15 0.00 -1.71 0.00 0.00 66.02 65.30 1z81 s SER 117 CO 0.60 -0.25 1.22 -0.22 1.20 0.00 0.00 173.24 175.79 1z81 s LEU 118 N 0.20 -0.14 0.29 3.45 0.20 -1.26 -4.85 118.68 116.57 1z81 s LEU 118 Ca -0.01 0.04 -0.13 0.00 0.69 0.00 0.00 54.13 54.72 1z81 s LEU 118 Cb -0.04 1.37 0.01 0.00 -0.43 0.00 0.00 46.19 47.10 1z81 s LEU 118 CO 0.02 -0.21 0.57 -0.94 -0.29 0.00 0.00 176.35 175.49 1z81 s SER 119 N -1.94 0.07 -0.03 3.68 1.04 0.10 -1.71 113.70 114.91 1z81 s SER 119 Ca 0.08 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1z81 s SER 119 Cb -0.01 0.67 0.05 0.00 0.10 0.00 0.00 66.02 66.83 1z81 s SER 119 CO -0.05 -1.29 0.95 2.30 0.98 0.00 0.00 173.24 176.13 1z81 n ILE 120 N -0.45 0.92 -2.03 -1.02 -5.35 -1.26 -2.21 119.36 107.95 1z81 n ILE 120 Ca -0.03 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1z81 n ILE 120 Cb 0.61 -0.84 -0.00 0.00 -1.74 0.00 0.00 39.64 37.67 1z81 n ILE 120 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1z81 n TYR 121 N 0.30 0.00 0.00 4.28 4.01 -1.26 -5.04 117.16 119.45 1z81 n TYR 121 Ca 0.04 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1z81 n TYR 121 Cb 0.52 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1z81 n TYR 121 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1z81 n GLY 122 N 0.03 0.15 0.30 2.72 0.00 -0.94 -4.59 105.19 102.87 1z81 n GLY 122 Ca -0.01 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.52 1z81 n GLY 122 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1z81 n GLU 123 N 0.00 2.68 0.00 1.61 0.28 -1.26 -0.72 120.64 123.23 1z81 n GLU 123 Ca 0.00 -1.68 0.00 0.00 -0.16 0.00 0.00 57.16 55.32 1z81 n GLU 123 Cb 0.00 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1z81 n GLU 123 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1z81 n LYS 124 N 0.01 0.00 -3.48 3.44 2.85 -1.26 -4.07 118.16 115.65 1z81 n LYS 124 Ca 0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.21 1z81 n LYS 124 Cb 0.32 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.67 1z81 n LYS 124 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1z81 s PHE 125 N -2.00 -0.43 0.70 5.58 -0.71 -1.13 -4.84 117.98 115.15 1z81 s PHE 125 Ca 0.00 0.35 -0.16 0.00 -1.04 0.00 0.00 56.93 56.07 1z81 s PHE 125 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 1z81 s PHE 125 CO 0.00 -0.63 0.65 -0.25 -1.34 0.00 0.00 175.22 173.65 1z81 n ASP 126 N -0.13 -0.70 -4.55 1.98 8.00 -1.26 -3.35 116.55 116.53 1z81 n ASP 126 Ca -0.12 0.63 -0.41 0.00 0.71 0.00 0.00 54.79 55.60 1z81 n ASP 126 Cb 0.62 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 1z81 n ASP 126 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1z81 s ASP 127 N -1.47 5.99 0.31 -2.24 1.01 -1.26 -4.87 116.67 114.14 1z81 s ASP 127 Ca 0.68 -0.30 0.06 0.00 0.71 0.00 0.00 52.55 53.70 1z81 s ASP 127 Cb -0.36 -2.55 0.87 0.00 1.01 0.00 0.00 42.92 41.88 1z81 s ASP 127 CO 0.55 -1.94 1.61 -0.08 0.21 0.00 0.00 175.17 175.52 1z81 h GLU 128 N 10.98 0.10 0.00 8.23 4.81 -2.00 -3.45 114.58 133.25 1z81 h GLU 128 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1z81 h GLU 128 Cb 1.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1z81 h GLU 128 CO 1.27 0.07 0.00 0.27 -0.73 0.00 0.00 179.01 179.89 1z81 n ASN 129 N -5.31 0.00 -2.23 1.04 0.23 -1.26 -5.03 115.26 102.70 1z81 n ASN 129 Ca 0.26 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 54.12 1z81 n ASN 129 Cb 0.84 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.57 1z81 n ASN 129 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1z81 n PHE 130 N -0.46 2.41 -0.10 -2.53 3.01 -1.26 -4.66 117.46 113.87 1z81 n PHE 130 Ca 0.00 -2.23 -0.10 0.00 1.01 0.00 0.00 57.45 56.13 1z81 n PHE 130 Cb 0.00 -0.31 0.04 0.00 -0.01 0.00 0.00 39.48 39.20 1z81 n PHE 130 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1z81 h ASP 131 N 2.30 0.88 -3.52 4.37 3.32 -1.95 -3.44 116.42 118.37 1z81 h ASP 131 Ca 0.25 -0.36 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 1z81 h ASP 131 Cb 1.46 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1z81 h ASP 131 CO 0.62 1.11 0.26 -0.63 -1.72 0.00 0.00 179.24 178.89 1z81 s ILE 132 N -4.49 4.55 -0.05 0.35 -1.09 -1.26 -5.06 121.20 114.13 1z81 s ILE 132 Ca -0.10 1.87 -0.04 0.00 -2.23 0.00 0.00 60.65 60.14 1z81 s ILE 132 Cb 0.12 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1z81 s ILE 132 CO 0.86 0.37 0.16 -0.54 -1.23 0.00 0.00 174.94 174.55 1z81 s LYS 133 N -0.22 3.41 -0.18 2.79 -0.14 -1.26 -4.52 119.74 119.62 1z81 s LYS 133 Ca 0.42 -0.26 -0.06 0.00 -1.36 0.00 0.00 55.97 54.72 1z81 s LYS 133 Cb -0.22 -3.11 -0.23 0.00 -1.68 0.00 0.00 37.83 32.58 1z81 s LYS 133 CO 0.27 0.72 3.30 0.72 -0.76 0.00 0.00 175.35 179.60 1z81 n HIS 134 N 1.39 0.27 0.20 3.18 8.25 -1.26 -4.44 115.22 122.80 1z81 n HIS 134 Ca -0.15 -1.56 0.09 0.00 -0.26 0.00 0.00 57.72 55.84 1z81 n HIS 134 Cb 0.54 -1.60 0.24 0.00 1.12 0.00 0.00 29.99 30.28 1z81 n HIS 134 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1z81 h ASP 135 N 3.49 0.00 -5.81 0.41 3.04 -1.93 -2.36 116.42 113.26 1z81 h ASP 135 Ca 0.25 0.00 -0.41 0.00 -3.24 0.00 0.00 57.03 53.63 1z81 h ASP 135 Cb 1.26 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 39.41 1z81 h ASP 135 CO 0.43 0.23 -0.51 -1.59 -2.04 0.00 0.00 179.24 175.76 1z81 s LYS 136 N -3.27 1.63 0.41 4.15 -2.85 -1.26 -4.60 119.74 113.94 1z81 s LYS 136 Ca 0.04 -1.91 -0.13 0.00 -1.00 0.00 0.00 55.97 52.96 1z81 s LYS 136 Cb 0.07 0.32 -0.07 0.00 -2.06 0.00 0.00 37.83 36.09 1z81 s LYS 136 CO 0.68 -0.59 0.81 -1.83 0.10 0.00 0.00 175.35 174.52 1z81 s GLU 137 N -3.61 3.88 0.00 1.78 -1.05 -1.26 -4.20 118.70 114.25 1z81 s GLU 137 Ca 0.40 0.64 0.00 0.00 -0.15 0.00 0.00 54.97 55.86 1z81 s GLU 137 Cb 0.03 -2.34 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 1z81 s GLU 137 CO 0.24 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.81 1z81 n GLY 138 N -1.13 0.74 3.80 -3.83 0.00 0.06 -4.92 105.19 99.91 1z81 n GLY 138 Ca 0.04 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1z81 n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z81 s LEU 139 N 0.00 4.41 -0.00 0.99 1.43 -1.26 -1.18 118.68 123.08 1z81 s LEU 139 Ca 0.00 0.90 -0.20 0.00 -1.03 0.00 0.00 54.13 53.80 1z81 s LEU 139 Cb 0.00 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1z81 s LEU 139 CO 0.00 0.23 0.57 -0.76 0.23 0.00 0.00 176.35 176.62 1z81 s LEU 140 N -0.55 4.42 0.04 1.79 1.43 -0.34 -1.20 118.68 124.28 1z81 s LEU 140 Ca 0.24 1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 1z81 s LEU 140 Cb -0.16 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1z81 s LEU 140 CO 0.12 0.13 -0.03 -0.55 0.23 0.00 0.00 176.35 176.25 1z81 s SER 141 N -0.31 0.45 -0.38 2.29 0.15 -0.30 -1.41 113.70 114.18 1z81 s SER 141 Ca 0.30 -0.88 -0.23 0.00 0.70 0.00 0.00 55.95 55.84 1z81 s SER 141 Cb -0.18 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1z81 s SER 141 CO 0.17 -0.52 0.76 -0.04 1.20 0.00 0.00 173.24 174.80 1z81 s MET 142 N -3.32 3.67 -0.28 5.44 -1.94 -0.64 -1.19 119.30 121.04 1z81 s MET 142 Ca 0.02 0.19 -0.29 0.00 -1.71 0.00 0.00 55.69 53.89 1z81 s MET 142 Cb 0.04 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.04 1z81 s MET 142 CO -0.08 -0.88 1.26 0.00 -0.01 0.00 0.00 175.02 175.31 1z81 s ALA 143 N 3.07 3.44 0.48 3.03 0.00 -0.74 -4.37 121.76 126.68 1z81 s ALA 143 Ca 0.30 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1z81 s ALA 143 Cb -0.13 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1z81 s ALA 143 CO 0.18 -1.61 0.03 0.54 0.00 0.00 0.00 175.76 174.89 1z81 s ASN 144 N 2.45 3.81 -0.57 0.00 2.20 -1.26 -4.42 114.94 117.15 1z81 s ASN 144 Ca 0.54 -1.63 0.07 0.00 -0.94 0.00 0.00 52.86 50.90 1z81 s ASN 144 Cb -0.17 0.43 0.27 0.00 -2.00 0.00 0.00 41.25 39.78 1z81 s ASN 144 CO 0.20 -0.83 0.74 -1.54 -2.94 0.00 0.00 177.10 172.74 1z81 n SER 145 N -1.24 3.10 0.00 3.54 3.41 -1.26 -5.05 113.62 116.12 1z81 n SER 145 Ca -0.15 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 1z81 n SER 145 Cb 0.67 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1z81 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z81 n GLY 146 N 0.71 1.80 3.69 5.00 0.00 -1.26 -4.86 105.19 110.27 1z81 n GLY 146 Ca 0.28 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1z81 n GLY 146 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1z81 n PRO 147 N 1.40 2.05 -3.54 1.61 -0.02 -1.26 -3.22 135.00 132.03 1z81 n PRO 147 Ca 0.00 0.72 -0.22 0.00 -2.02 0.00 0.00 63.50 61.98 1z81 n PRO 147 Cb 0.00 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1z81 n PRO 147 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1z81 n ASN 148 N 0.96 -3.98 -0.18 2.55 4.13 -1.26 -4.92 115.26 112.56 1z81 n ASN 148 Ca 0.06 -0.82 0.03 0.00 1.68 0.00 0.00 54.58 55.52 1z81 n ASN 148 Cb 0.35 -4.31 0.04 0.00 -1.54 0.00 0.00 39.78 34.33 1z81 n ASN 148 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1z81 n THR 149 N -3.93 0.75 -1.50 3.41 -1.04 -1.20 -4.47 114.28 106.31 1z81 n THR 149 Ca -0.18 -0.87 -0.47 0.00 -2.04 0.00 0.00 64.05 60.50 1z81 n THR 149 Cb 0.64 0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 69.47 1z81 n THR 149 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1z81 n ASN 150 N -0.52 2.35 0.00 8.00 3.02 -1.21 -4.45 115.26 122.44 1z81 n ASN 150 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1z81 n ASN 150 Cb 0.56 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1z81 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z81 n GLY 151 N 6.30 1.46 0.43 7.41 0.00 -1.26 -2.84 105.19 116.68 1z81 n GLY 151 Ca 0.39 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1z81 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z81 s GLN 153 N -2.26 4.27 0.22 0.00 -0.21 -1.26 -4.67 119.66 115.76 1z81 s GLN 153 Ca 0.16 0.65 0.05 0.00 0.02 0.00 0.00 55.36 56.24 1z81 s GLN 153 Cb 0.16 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 1z81 s GLN 153 CO 0.51 0.38 -0.06 -0.59 -2.12 0.00 0.00 175.29 173.41 1z81 s PHE 154 N -0.18 1.63 0.01 0.91 -0.71 -1.10 -1.79 117.98 116.74 1z81 s PHE 154 Ca 0.29 -0.78 -0.02 0.00 -1.04 0.00 0.00 56.93 55.38 1z81 s PHE 154 Cb -0.18 -0.89 -0.01 0.00 -1.21 0.00 0.00 43.02 40.73 1z81 s PHE 154 CO 0.16 0.13 0.02 -0.59 -1.34 0.00 0.00 175.22 173.59 1z81 s PHE 155 N -3.23 0.16 -0.30 3.49 -0.71 -0.33 -2.03 117.98 115.03 1z81 s PHE 155 Ca 0.25 -0.33 -0.06 0.00 -1.04 0.00 0.00 56.93 55.76 1z81 s PHE 155 Cb 0.04 -0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1z81 s PHE 155 CO 0.08 -0.18 0.06 0.42 -1.34 0.00 0.00 175.22 174.25 1z81 s ILE 156 N -1.19 3.72 0.40 -4.49 1.01 0.99 -1.15 121.20 120.48 1z81 s ILE 156 Ca -0.13 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1z81 s ILE 156 Cb -0.08 -2.96 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 1z81 s ILE 156 CO -0.00 0.03 1.41 0.35 0.00 0.00 0.00 174.94 176.73 1z81 n THR 157 N 4.81 2.28 0.28 2.92 -2.24 -0.34 -2.52 114.28 119.47 1z81 n THR 157 Ca -0.14 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.17 1z81 n THR 157 Cb 0.47 -1.81 0.03 0.00 -2.10 0.00 0.00 70.33 66.91 1z81 n THR 157 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1z81 n THR 158 N 0.16 0.00 -3.52 4.28 5.66 -0.76 -0.76 114.28 119.34 1z81 n THR 158 Ca 0.04 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.43 1z81 n THR 158 Cb 0.39 1.14 -0.04 0.00 -1.55 0.00 0.00 70.33 70.27 1z81 n THR 158 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1z81 s LYS 159 N -0.60 0.83 0.12 1.09 2.20 -1.24 -4.81 119.74 117.33 1z81 s LYS 159 Ca 0.08 -0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.28 1z81 s LYS 159 Cb 0.06 0.39 -0.08 0.00 -1.51 0.00 0.00 37.83 36.68 1z81 s LYS 159 CO 0.09 -0.32 1.46 -1.59 -0.36 0.00 0.00 175.35 174.63 1z81 s LYS 160 N -2.25 4.28 -0.52 4.03 -2.85 -1.26 -4.61 119.74 116.56 1z81 s LYS 160 Ca 0.00 2.17 0.07 0.00 -1.00 0.00 0.00 55.97 57.21 1z81 s LYS 160 Cb -0.01 -3.25 0.33 0.00 -2.06 0.00 0.00 37.83 32.84 1z81 s LYS 160 CO -0.03 -0.51 0.84 0.00 0.10 0.00 0.00 175.35 175.75 1z81 n GLU 162 N 0.12 -0.15 0.05 0.00 -0.58 -1.22 -0.78 120.64 118.08 1z81 n GLU 162 Ca 0.29 1.30 0.01 0.00 -0.42 0.00 0.00 57.16 58.34 1z81 n GLU 162 Cb 0.48 -1.94 0.05 0.00 -0.57 0.00 0.00 31.44 29.45 1z81 n GLU 162 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1z81 n TRP 163 N -5.30 0.06 0.99 -0.32 2.14 -1.26 0.94 117.44 114.70 1z81 n TRP 163 Ca 0.11 0.03 0.12 0.00 2.07 0.00 0.00 57.50 59.82 1z81 n TRP 163 Cb 0.37 -0.18 0.21 0.00 -0.81 0.00 0.00 31.31 30.90 1z81 n TRP 163 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1z81 n LEU 164 N -1.35 0.56 -4.56 5.67 4.77 0.04 -4.77 117.00 117.36 1z81 n LEU 164 Ca -0.00 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.72 1z81 n LEU 164 Cb 0.42 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1z81 n LEU 164 CO 0.01 0.14 1.41 -1.81 -1.33 0.00 0.00 177.39 175.81 1z81 s ASP 165 N -3.02 4.26 0.00 -1.43 1.11 0.27 -0.81 116.67 117.05 1z81 s ASP 165 Ca 0.11 0.15 0.00 0.00 0.18 0.00 0.00 52.55 52.98 1z81 s ASP 165 Cb 0.17 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1z81 s ASP 165 CO 0.72 -3.44 0.00 0.61 1.18 0.00 0.00 175.17 174.24 1z81 n GLY 166 N 6.61 1.28 0.13 0.21 0.00 -1.26 -4.95 105.19 107.21 1z81 n GLY 166 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 1z81 n GLY 166 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1z81 n LYS 167 N 0.00 0.64 -4.36 1.61 -0.00 0.01 -5.00 118.16 111.06 1z81 n LYS 167 Ca 0.00 0.19 -0.28 0.00 -0.00 0.00 0.00 58.31 58.22 1z81 n LYS 167 Cb 0.00 -1.53 -0.12 0.00 -0.00 0.00 0.00 35.03 33.38 1z81 n LYS 167 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1z81 s ASN 168 N -6.81 3.59 -0.29 -5.58 -0.87 -0.90 -4.85 114.94 99.24 1z81 s ASN 168 Ca -0.35 -0.71 -0.11 0.00 -1.57 0.00 0.00 52.86 50.12 1z81 s ASN 168 Cb 0.10 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 40.93 1z81 s ASN 168 CO 0.58 0.16 0.18 -0.69 -2.57 0.00 0.00 177.10 174.76 1z81 s VAL 169 N -1.28 5.08 -0.24 1.60 1.01 -1.26 -4.74 120.40 120.56 1z81 s VAL 169 Ca 0.18 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1z81 s VAL 169 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1z81 s VAL 169 CO 0.09 0.18 1.17 -0.69 0.00 0.00 0.00 175.10 175.84 1z81 s VAL 170 N 1.71 4.42 -0.12 2.92 1.01 -1.26 -1.63 120.40 127.45 1z81 s VAL 170 Ca 0.06 1.68 0.14 0.00 0.00 0.00 0.00 61.98 63.87 1z81 s VAL 170 Cb -0.16 -4.20 0.32 0.00 0.00 0.00 0.00 36.38 32.33 1z81 s VAL 170 CO 0.09 -0.28 1.16 2.22 0.00 0.00 0.00 175.10 178.29 1z81 n PHE 171 N 6.76 0.00 0.00 5.22 -1.74 -0.50 -4.75 117.46 122.45 1z81 n PHE 171 Ca 0.13 -0.96 0.00 0.00 -0.56 0.00 0.00 57.45 56.06 1z81 n PHE 171 Cb 0.46 -0.17 0.00 0.00 1.52 0.00 0.00 39.48 41.29 1z81 n PHE 171 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1z81 n GLY 172 N -0.82 -0.85 3.55 4.97 0.00 -1.22 -2.46 105.19 108.35 1z81 n GLY 172 Ca 0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1z81 n GLY 172 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1z81 s ARG 173 N -2.00 0.74 0.48 1.61 1.70 -0.93 -1.20 118.95 119.35 1z81 s ARG 173 Ca 0.00 0.04 -0.20 0.00 -0.47 0.00 0.00 55.73 55.09 1z81 s ARG 173 Cb 0.00 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1z81 s ARG 173 CO 0.00 -0.26 1.05 0.96 -1.08 0.00 0.00 175.30 175.97 1z81 s ILE 174 N -1.69 3.73 -0.30 4.99 -4.36 -0.32 -0.71 121.20 122.54 1z81 s ILE 174 Ca -0.02 1.10 0.14 0.00 -0.26 0.00 0.00 60.65 61.61 1z81 s ILE 174 Cb -0.01 -3.45 -0.19 0.00 1.25 0.00 0.00 42.46 40.06 1z81 s ILE 174 CO 0.00 -0.21 0.44 2.30 0.24 0.00 0.00 174.94 177.70 1z81 n ILE 175 N -0.92 0.00 -4.32 8.37 -5.35 -0.58 -4.86 119.36 111.70 1z81 n ILE 175 Ca 0.09 -0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 1z81 n ILE 175 Cb 0.52 0.53 -0.10 0.00 -1.74 0.00 0.00 39.64 38.85 1z81 n ILE 175 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1z81 s ASP 176 N -3.09 1.51 0.19 7.28 1.47 -1.26 -4.94 116.67 117.83 1z81 s ASP 176 Ca -0.01 -1.30 0.22 0.00 1.18 0.00 0.00 52.55 52.64 1z81 s ASP 176 Cb 0.10 0.08 0.89 0.00 -0.34 0.00 0.00 42.92 43.65 1z81 s ASP 176 CO 0.59 -0.63 1.66 -3.20 0.68 0.00 0.00 175.17 174.27 1z81 n ASN 177 N -0.44 0.51 0.08 2.11 2.85 -1.26 -2.45 115.26 116.67 1z81 n ASN 177 Ca -0.03 0.62 -0.13 0.00 -0.11 0.00 0.00 54.58 54.94 1z81 n ASN 177 Cb 0.65 -0.73 -0.13 0.00 1.24 0.00 0.00 39.78 40.81 1z81 n ASN 177 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1z81 h ASP 178 N 0.00 0.26 0.85 1.20 3.32 -1.95 -2.66 116.42 117.44 1z81 h ASP 178 Ca 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.68 1z81 h ASP 178 Cb 0.36 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1z81 h ASP 178 CO 0.00 1.23 -0.38 0.28 -1.72 0.00 0.00 179.24 178.65 1z81 h SER 179 N 0.05 0.00 -0.11 6.45 0.02 -1.71 -2.16 113.55 116.09 1z81 h SER 179 Ca -0.10 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.62 1z81 h SER 179 Cb 1.90 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.46 1z81 h SER 179 CO 0.17 0.38 -0.85 0.25 -1.14 0.00 0.00 176.83 175.64 1z81 h LEU 180 N 0.00 0.95 -0.45 5.07 5.85 -1.49 -1.87 115.31 123.36 1z81 h LEU 180 Ca -0.00 -0.66 -0.14 0.00 0.84 0.00 0.00 57.88 57.92 1z81 h LEU 180 Cb 0.90 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1z81 h LEU 180 CO 0.05 1.46 -0.26 -0.07 -0.34 0.00 0.00 178.44 179.28 1z81 h LEU 181 N 0.51 1.01 -0.68 2.25 3.38 -1.31 -1.74 115.31 118.73 1z81 h LEU 181 Ca -0.07 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1z81 h LEU 181 Cb 1.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1z81 h LEU 181 CO 0.17 1.21 0.24 0.25 0.09 0.00 0.00 178.44 180.40 1z81 h LEU 182 N 0.82 0.96 -0.67 1.67 5.85 -1.41 -0.05 115.31 122.48 1z81 h LEU 182 Ca 0.10 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1z81 h LEU 182 Cb 0.84 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1z81 h LEU 182 CO 0.07 0.89 0.43 0.25 -0.34 0.00 0.00 178.44 179.75 1z81 h LEU 183 N 0.98 0.71 -0.32 2.25 5.85 -1.07 -0.88 115.31 122.84 1z81 h LEU 183 Ca 0.22 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1z81 h LEU 183 Cb 0.25 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1z81 h LEU 183 CO -0.01 0.50 0.05 0.11 -0.34 0.00 0.00 178.44 178.75 1z81 h LYS 184 N 0.85 0.53 0.01 1.25 1.79 -0.86 -0.54 116.57 119.59 1z81 h LYS 184 Ca 0.26 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1z81 h LYS 184 Cb -0.03 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 1z81 h LYS 184 CO -0.09 0.62 -0.22 0.87 -1.08 0.00 0.00 179.45 179.55 1z81 h LYS 185 N 0.35 -0.34 -0.24 3.15 1.57 -0.61 -2.36 116.57 118.09 1z81 h LYS 185 Ca 0.10 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1z81 h LYS 185 Cb 0.35 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1z81 h LYS 185 CO 0.01 -0.23 -0.00 0.82 -0.57 0.00 0.00 179.45 179.48 1z81 h ILE 186 N -0.36 0.83 -0.65 1.86 2.04 -1.08 -1.69 117.51 118.47 1z81 h ILE 186 Ca 0.06 -0.03 0.19 0.00 1.00 0.00 0.00 64.86 66.08 1z81 h ILE 186 Cb 0.43 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1z81 h ILE 186 CO -0.20 0.01 0.62 -0.08 0.00 0.00 0.00 178.15 178.50 1z81 h GLU 187 N 0.07 0.00 0.00 2.37 4.81 -0.62 0.41 114.58 121.62 1z81 h GLU 187 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1z81 h GLU 187 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1z81 h GLU 187 CO -0.19 0.00 -0.73 0.09 -0.73 0.00 0.00 179.01 177.44 1z81 n ASN 188 N -3.79 0.62 -4.54 1.04 3.02 -0.65 -4.21 115.26 106.76 1z81 n ASN 188 Ca 0.13 -0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 1z81 n ASN 188 Cb 0.86 0.50 0.02 0.00 -0.61 0.00 0.00 39.78 40.54 1z81 n ASN 188 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1z81 n VAL 189 N -1.70 2.36 -2.50 2.41 3.14 0.13 -4.87 118.33 117.30 1z81 n VAL 189 Ca 0.04 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.51 1z81 n VAL 189 Cb 0.37 -0.89 -0.04 0.00 -1.06 0.00 0.00 33.84 32.22 1z81 n VAL 189 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1z81 s SER 190 N -0.92 7.26 0.36 6.55 0.01 -1.26 -4.97 113.70 120.73 1z81 s SER 190 Ca 0.65 2.12 0.04 0.00 1.31 0.00 0.00 55.95 60.08 1z81 s SER 190 Cb -0.54 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.02 1z81 s SER 190 CO 0.56 -0.21 0.06 0.68 0.41 0.00 0.00 173.24 174.73 1z81 s VAL 191 N -0.38 1.21 -0.25 3.43 -7.23 -1.26 -1.40 120.40 114.52 1z81 s VAL 191 Ca 0.49 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 1z81 s VAL 191 Cb -0.30 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1z81 s VAL 191 CO 0.36 0.00 0.98 -0.89 -0.31 0.00 0.00 175.10 175.24 1z81 s THR 192 N -3.17 4.69 0.02 5.32 2.01 0.26 -4.82 115.64 119.95 1z81 s THR 192 Ca 0.32 1.82 -0.03 0.00 0.31 0.00 0.00 61.69 64.12 1z81 s THR 192 Cb 0.07 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1z81 s THR 192 CO 0.15 -0.21 0.16 -2.65 -0.69 0.00 0.00 174.62 171.38 1z81 n PRO 193 N 6.33 -0.04 -0.07 4.92 -0.02 -1.26 -0.43 135.00 144.43 1z81 n PRO 193 Ca 0.10 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.69 1z81 n PRO 193 Cb 0.47 -0.23 -0.14 0.00 -0.02 0.00 0.00 33.50 33.58 1z81 n PRO 193 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1z81 n TYR 194 N -4.13 0.00 0.09 6.00 4.02 -1.26 -4.41 117.16 117.46 1z81 n TYR 194 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1z81 n TYR 194 Cb 0.03 -0.77 -0.04 0.00 -0.02 0.00 0.00 39.34 38.54 1z81 n TYR 194 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 176.86 175.01 1z81 h ILE 195 N 0.00 0.81 -0.98 -0.72 3.07 -1.97 -3.48 117.51 114.24 1z81 h ILE 195 Ca -0.37 -2.27 -0.16 0.00 1.55 0.00 0.00 64.86 63.60 1z81 h ILE 195 Cb 1.81 2.32 -0.02 0.00 -0.27 0.00 0.00 36.82 40.66 1z81 h ILE 195 CO 0.02 0.46 -0.20 -1.22 -1.05 0.00 0.00 178.15 176.17 1z81 n TYR 196 N -3.10 -0.30 -3.05 0.16 4.02 0.43 -4.88 117.16 110.44 1z81 n TYR 196 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 1z81 n TYR 196 Cb 0.81 -2.05 -0.05 0.00 -0.02 0.00 0.00 39.34 38.03 1z81 n TYR 196 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1z81 s LYS 197 N -4.00 4.43 0.29 -0.72 1.02 -1.25 -1.80 119.74 117.71 1z81 s LYS 197 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 55.97 56.61 1z81 s LYS 197 Cb 0.00 -3.40 -0.11 0.00 -0.52 0.00 0.00 37.83 33.80 1z81 s LYS 197 CO 0.00 0.20 1.55 -2.14 -0.92 0.00 0.00 175.35 174.04 1z81 s PRO 198 N 0.31 4.16 0.02 -1.68 0.02 -1.26 -0.58 135.00 135.98 1z81 s PRO 198 Ca 0.37 2.51 -0.25 0.00 0.02 0.00 0.00 61.00 63.65 1z81 s PRO 198 Cb -0.19 -3.04 -0.18 0.00 0.02 0.00 0.00 34.50 31.11 1z81 s PRO 198 CO 0.20 -0.57 1.40 0.87 -0.33 0.00 0.00 177.00 178.57 1z81 h LYS 199 N 4.73 -0.10 -4.31 5.54 1.57 -1.55 -3.34 116.57 119.11 1z81 h LYS 199 Ca -0.47 0.01 -0.75 0.00 -1.87 0.00 0.00 60.65 57.57 1z81 h LYS 199 Cb 1.22 0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.33 1z81 h LYS 199 CO 0.78 0.21 0.30 0.42 -0.57 0.00 0.00 179.45 180.59 1z81 s ILE 200 N -4.92 5.23 0.03 1.86 1.01 -1.26 -5.01 121.20 118.13 1z81 s ILE 200 Ca -0.15 -1.97 -0.15 0.00 0.00 0.00 0.00 60.65 58.38 1z81 s ILE 200 Cb 0.03 -4.56 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 1z81 s ILE 200 CO 0.64 -1.17 0.38 -2.65 0.00 0.00 0.00 174.94 172.14 1z81 n PRO 201 N 5.10 0.00 -3.72 2.79 -0.02 -1.26 -4.07 135.00 133.82 1z81 n PRO 201 Ca 0.12 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 1z81 n PRO 201 Cb 0.47 -0.56 -0.11 0.00 -0.02 0.00 0.00 33.50 33.27 1z81 n PRO 201 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1z81 s ILE 202 N -0.13 3.55 0.07 4.25 1.01 -1.26 0.90 121.20 129.59 1z81 s ILE 202 Ca 0.35 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 59.15 1z81 s ILE 202 Cb -0.49 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1z81 s ILE 202 CO 0.24 -0.67 -0.12 0.54 0.00 0.00 0.00 174.94 174.92 1z81 s ASN 203 N 2.01 4.22 -0.84 3.58 6.03 -1.13 -1.09 114.94 127.73 1z81 s ASN 203 Ca 0.07 -0.37 -0.20 0.00 -1.03 0.00 0.00 52.86 51.32 1z81 s ASN 203 Cb -0.23 -0.79 0.10 0.00 -3.03 0.00 0.00 41.25 37.30 1z81 s ASN 203 CO -0.03 0.22 1.09 -0.69 -2.03 0.00 0.00 177.10 175.66 1z81 s VAL 204 N -1.09 4.52 -0.00 3.54 1.01 0.15 -2.50 120.40 126.03 1z81 s VAL 204 Ca 0.18 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 1z81 s VAL 204 Cb -0.11 -4.77 -0.16 0.00 0.00 0.00 0.00 36.38 31.34 1z81 s VAL 204 CO 0.10 -1.53 1.17 0.58 0.00 0.00 0.00 175.10 175.43 1z81 h VAL 205 N 5.97 0.72 -3.07 2.92 2.07 -1.59 0.83 116.25 124.09 1z81 h VAL 205 Ca 0.00 -0.68 -0.44 0.00 0.82 0.00 0.00 66.70 66.40 1z81 h VAL 205 Cb 1.04 1.06 -0.15 0.00 -1.52 0.00 0.00 31.29 31.72 1z81 h VAL 205 CO 1.16 0.13 -0.74 -1.61 0.02 0.00 0.00 177.57 176.53 1z81 s GLU 206 N -4.45 1.26 -0.18 1.57 8.01 -1.25 -3.90 118.70 119.75 1z81 s GLU 206 Ca -0.14 -1.51 -0.33 0.00 0.01 0.00 0.00 54.97 53.01 1z81 s GLU 206 Cb 0.02 -1.07 0.14 0.00 -4.31 0.00 0.00 34.13 28.91 1z81 s GLU 206 CO 0.53 0.18 1.17 0.00 0.01 0.00 0.00 175.26 177.15 1z81 n GLY 208 N 0.13 -0.64 3.06 0.00 0.00 -1.11 -4.58 105.19 102.05 1z81 n GLY 208 Ca -0.02 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1z81 n GLY 208 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1z81 s GLU 209 N -0.03 0.54 0.00 1.61 2.12 -1.26 -3.01 118.70 118.68 1z81 s GLU 209 Ca 0.00 -0.73 0.22 0.00 0.36 0.00 0.00 54.97 54.81 1z81 s GLU 209 Cb 0.00 -0.34 0.17 0.00 0.26 0.00 0.00 34.13 34.22 1z81 s GLU 209 CO 0.00 0.06 1.18 1.28 -0.54 0.00 0.00 175.26 177.25