#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrr s ALA 2 N 0.00 4.28 -0.29 7.33 0.00 -1.18 -3.10 121.76 128.80 1zrr s ALA 2 Ca 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.30 1zrr s ALA 2 Cb 0.00 -1.79 0.15 0.00 0.00 0.00 0.00 23.12 21.48 1zrr s ALA 2 CO 0.00 -0.57 0.60 -1.17 0.00 0.00 0.00 175.76 174.62 1zrr s LEU 3 N -4.57 -1.17 -0.08 0.00 2.96 -0.88 -2.88 118.68 112.05 1zrr s LEU 3 Ca 0.57 1.21 -0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1zrr s LEU 3 Cb -0.09 2.13 -0.03 0.00 0.50 0.00 0.00 46.19 48.69 1zrr s LEU 3 CO 0.36 -0.24 -0.04 0.42 -1.32 0.00 0.00 176.35 175.53 1zrr s THR 4 N 2.85 3.93 -0.04 3.68 -4.23 0.48 -3.47 115.64 118.84 1zrr s THR 4 Ca 0.05 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1zrr s THR 4 Cb -0.13 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1zrr s THR 4 CO -0.19 0.59 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.78 1zrr s ILE 5 N -0.75 0.69 0.27 2.99 1.01 -1.07 0.29 121.20 124.63 1zrr s ILE 5 Ca 0.11 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1zrr s ILE 5 Cb -0.11 -0.66 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 1zrr s ILE 5 CO 0.02 0.24 -0.04 -0.36 0.00 0.00 0.00 174.94 174.80 1zrr s PHE 6 N 0.59 1.85 0.79 3.97 0.40 -0.96 -1.52 117.98 123.10 1zrr s PHE 6 Ca -0.09 -0.76 -0.08 0.00 -0.60 0.00 0.00 56.93 55.40 1zrr s PHE 6 Cb -0.12 -1.07 0.12 0.00 0.51 0.00 0.00 43.02 42.46 1zrr s PHE 6 CO 0.01 0.20 1.11 -1.54 0.70 0.00 0.00 175.22 175.69 1zrr s SER 7 N -3.41 4.20 -0.03 1.36 1.04 -1.22 -1.44 113.70 114.21 1zrr s SER 7 Ca 0.29 0.24 0.09 0.00 0.48 0.00 0.00 55.95 57.05 1zrr s SER 7 Cb 0.04 -0.64 -0.23 0.00 0.10 0.00 0.00 66.02 65.29 1zrr s SER 7 CO 0.11 -2.00 0.72 -0.37 0.98 0.00 0.00 173.24 172.68 1zrr h VAL 8 N -0.91 0.95 -0.09 5.02 -1.51 -1.90 -3.37 116.25 114.44 1zrr h VAL 8 Ca -0.43 -2.76 -0.22 0.00 -1.23 0.00 0.00 66.70 62.06 1zrr h VAL 8 Cb 1.28 2.50 0.01 0.00 -2.13 0.00 0.00 31.29 32.95 1zrr h VAL 8 CO 0.50 0.60 -0.83 0.50 -1.23 0.00 0.00 177.57 177.11 1zrr h LYS 9 N 0.01 0.62 -3.68 5.19 3.64 -1.96 -3.44 116.57 116.96 1zrr h LYS 9 Ca -0.26 -0.55 -0.39 0.00 -1.27 0.00 0.00 60.65 58.18 1zrr h LYS 9 Cb 1.99 0.13 -0.37 0.00 -0.41 0.00 0.00 32.23 33.57 1zrr h LYS 9 CO 0.09 1.16 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.17 1zrr s ASP 10 N -7.09 1.08 0.09 4.20 1.01 -1.26 -5.02 116.67 109.68 1zrr s ASP 10 Ca -0.08 -0.04 0.08 0.00 0.71 0.00 0.00 52.55 53.21 1zrr s ASP 10 Cb 0.09 -0.32 -0.21 0.00 1.01 0.00 0.00 42.92 43.48 1zrr s ASP 10 CO 0.88 -0.16 1.17 1.55 0.21 0.00 0.00 175.17 178.83 1zrr h PRO 11 N 7.89 0.00 0.00 8.23 0.13 -1.85 -3.22 132.00 143.18 1zrr h PRO 11 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1zrr h PRO 11 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1zrr h PRO 11 CO 0.33 0.91 0.00 0.00 -0.23 0.00 0.00 178.00 179.01 1zrr n GLN 12 N -3.30 0.49 -4.06 0.86 -0.00 -1.26 -4.51 117.38 105.61 1zrr n GLN 12 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.63 1zrr n GLN 12 Cb 0.96 -1.27 -0.15 0.00 -0.00 0.00 0.00 30.24 29.78 1zrr n GLN 12 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1zrr s ASN 13 N -1.77 3.55 -0.21 2.61 3.04 -1.23 -5.09 114.94 115.83 1zrr s ASN 13 Ca 0.13 -0.65 -0.13 0.00 0.04 0.00 0.00 52.86 52.25 1zrr s ASN 13 Cb 0.06 -1.56 -0.05 0.00 -1.54 0.00 0.00 41.25 38.17 1zrr s ASN 13 CO 0.10 -0.02 0.25 -0.94 -3.04 0.00 0.00 177.10 173.44 1zrr s SER 14 N 1.33 6.27 0.00 -4.21 1.04 -1.26 -3.37 113.70 113.49 1zrr s SER 14 Ca 0.04 0.30 0.25 0.00 0.48 0.00 0.00 55.95 57.02 1zrr s SER 14 Cb -0.14 -2.15 0.46 0.00 0.10 0.00 0.00 66.02 64.28 1zrr s SER 14 CO -0.10 0.03 1.38 0.18 0.98 0.00 0.00 173.24 175.71 1zrr n LEU 15 N 4.19 0.79 -3.20 2.42 7.99 -0.58 -4.74 117.00 123.87 1zrr n LEU 15 Ca -0.12 -0.17 -0.00 0.00 -0.01 0.00 0.00 56.01 55.70 1zrr n LEU 15 Cb 0.52 -0.17 -0.02 0.00 -0.11 0.00 0.00 43.42 43.63 1zrr n LEU 15 CO 0.37 0.17 0.07 0.86 -1.51 0.00 0.00 177.39 177.35 1zrr s TRP 16 N -2.84 -1.51 -0.29 -1.77 -0.00 -1.22 -5.03 118.94 106.29 1zrr s TRP 16 Ca 0.15 1.08 0.01 0.00 -0.00 0.00 0.00 56.10 57.34 1zrr s TRP 16 Cb 0.18 0.26 0.06 0.00 -0.00 0.00 0.00 33.47 33.97 1zrr s TRP 16 CO 0.66 -0.97 -0.05 -1.58 -0.00 0.00 0.00 176.95 175.02 1zrr s HIS 17 N 2.75 3.30 0.12 5.86 5.65 -1.26 -2.60 115.29 129.11 1zrr s HIS 17 Ca 0.13 -2.16 -0.25 0.00 0.25 0.00 0.00 55.06 53.03 1zrr s HIS 17 Cb -0.12 -2.09 0.07 0.00 -1.18 0.00 0.00 32.58 29.25 1zrr s HIS 17 CO -0.24 -0.85 0.80 -1.12 -0.65 0.00 0.00 174.74 172.67 1zrr s SER 18 N 1.18 -0.36 -0.41 9.88 0.01 -1.23 -5.08 113.70 117.69 1zrr s SER 18 Ca -0.06 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1zrr s SER 18 Cb -0.20 0.52 0.13 0.00 0.21 0.00 0.00 66.02 66.69 1zrr s SER 18 CO -0.03 -0.90 0.22 0.28 0.41 0.00 0.00 173.24 173.22 1zrr s THR 19 N -3.46 1.16 0.07 1.44 -1.32 -1.26 -2.07 115.64 110.20 1zrr s THR 19 Ca 0.07 -2.33 0.08 0.00 -1.21 0.00 0.00 61.69 58.29 1zrr s THR 19 Cb -0.02 -1.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1zrr s THR 19 CO -0.05 -0.89 -0.21 0.21 -2.21 0.00 0.00 174.62 171.47 1zrr s ASN 20 N 0.57 2.55 0.01 8.08 3.84 -1.18 -4.69 114.94 124.11 1zrr s ASN 20 Ca 0.17 -0.59 -0.13 0.00 0.21 0.00 0.00 52.86 52.52 1zrr s ASN 20 Cb -0.24 -0.18 -0.33 0.00 -0.55 0.00 0.00 41.25 39.94 1zrr s ASN 20 CO -0.01 0.13 0.89 0.00 -2.79 0.00 0.00 177.10 175.32 1zrr h ALA 21 N 4.54 -0.03 0.03 1.71 0.00 -1.99 -2.99 119.26 120.53 1zrr h ALA 21 Ca -0.44 -0.97 -0.11 0.00 0.00 0.00 0.00 54.91 53.39 1zrr h ALA 21 Cb 1.17 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1zrr h ALA 21 CO 0.42 0.84 -0.55 1.49 0.00 0.00 0.00 179.25 181.45 1zrr h GLU 22 N 0.13 0.07 -0.00 0.00 4.81 -1.99 -3.09 114.58 114.50 1zrr h GLU 22 Ca -0.28 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1zrr h GLU 22 Cb 2.14 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.56 1zrr h GLU 22 CO 0.24 1.06 0.00 1.49 -0.73 0.00 0.00 179.01 181.07 1zrr h GLU 23 N -0.84 0.00 0.03 1.92 4.81 -1.98 0.64 114.58 119.16 1zrr h GLU 23 Ca -0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1zrr h GLU 23 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1zrr h GLU 23 CO -0.02 0.00 -0.02 0.82 -0.73 0.00 0.00 179.01 179.06 1zrr h ILE 24 N 0.00 1.37 0.18 2.32 2.04 -1.60 0.19 117.51 122.01 1zrr h ILE 24 Ca 0.00 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1zrr h ILE 24 Cb 0.01 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1zrr h ILE 24 CO -0.00 0.35 -0.08 -0.61 0.00 0.00 0.00 178.15 177.80 1zrr h GLN 25 N -0.66 -0.23 -0.90 2.37 -0.00 -1.25 1.63 115.11 116.07 1zrr h GLN 25 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1zrr h GLN 25 Cb 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.09 1zrr h GLN 25 CO 0.01 -0.07 0.52 1.96 0.00 0.00 0.00 178.83 181.25 1zrr h GLN 26 N -0.34 1.24 0.02 1.69 1.08 -0.99 1.39 115.11 119.20 1zrr h GLN 26 Ca -0.02 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1zrr h GLN 26 Cb 0.26 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1zrr h GLN 26 CO 0.04 0.89 -0.01 0.37 -0.95 0.00 0.00 178.83 179.17 1zrr h GLN 27 N 1.26 -0.03 0.30 1.46 4.15 -0.34 -2.08 115.11 119.83 1zrr h GLN 27 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 1zrr h GLN 27 Cb -0.02 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1zrr h GLN 27 CO -0.06 0.68 -0.14 1.25 -1.93 0.00 0.00 178.83 178.63 1zrr h LEU 28 N -0.78 -0.34 -2.54 -2.39 5.85 0.25 -2.87 115.31 112.49 1zrr h LEU 28 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1zrr h LEU 28 Cb 0.71 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1zrr h LEU 28 CO 0.00 0.12 0.14 -1.13 -0.34 0.00 0.00 178.44 177.23 1zrr h ASN 29 N -0.93 0.00 0.45 1.25 -0.73 0.18 0.50 115.58 116.31 1zrr h ASN 29 Ca -0.04 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.07 1zrr h ASN 29 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1zrr h ASN 29 CO 0.07 0.00 -0.30 0.00 -0.37 0.00 0.00 177.43 176.83 1zrr h ALA 30 N 1.71 1.30 -0.23 1.57 0.00 -1.14 -1.59 119.26 120.89 1zrr h ALA 30 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1zrr h ALA 30 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1zrr h ALA 30 CO 0.00 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.25 1zrr n LYS 31 N -3.89 1.74 -0.45 0.00 4.76 0.18 -4.82 118.16 115.68 1zrr n LYS 31 Ca -0.02 -0.90 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 1zrr n LYS 31 Cb 0.38 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 32 N 0.71 0.86 3.87 0.72 0.00 -0.60 -5.05 105.19 105.70 1zrr n GLY 32 Ca 0.08 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1zrr n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zrr s VAL 33 N -2.00 5.01 0.51 1.61 1.01 -1.20 -4.48 120.40 120.86 1zrr s VAL 33 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1zrr s VAL 33 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1zrr s VAL 33 CO 0.00 0.18 0.92 -0.60 0.00 0.00 0.00 175.10 175.60 1zrr s ARG 34 N -2.18 3.75 0.06 2.72 3.52 -1.12 -4.12 118.95 121.59 1zrr s ARG 34 Ca 0.38 0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 56.45 1zrr s ARG 34 Cb -0.13 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 31.09 1zrr s ARG 34 CO 0.20 -0.29 0.48 0.12 -0.81 0.00 0.00 175.30 174.99 1zrr s PHE 35 N -2.74 -0.36 0.00 5.12 2.19 -1.23 -3.98 117.98 116.98 1zrr s PHE 35 Ca 0.54 0.33 -0.29 0.00 0.33 0.00 0.00 56.93 57.84 1zrr s PHE 35 Cb -0.10 0.30 0.11 0.00 -1.31 0.00 0.00 43.02 42.02 1zrr s PHE 35 CO 0.40 -0.63 1.27 -1.21 1.83 0.00 0.00 175.22 176.87 1zrr s GLU 36 N -2.64 0.47 -0.23 10.12 0.41 -1.19 -4.82 118.70 120.81 1zrr s GLU 36 Ca -0.04 -0.28 -0.04 0.00 -0.41 0.00 0.00 54.97 54.20 1zrr s GLU 36 Cb -0.00 0.14 0.12 0.00 -1.78 0.00 0.00 34.13 32.61 1zrr s GLU 36 CO -0.03 -0.22 0.40 1.03 -0.49 0.00 0.00 175.26 175.95 1zrr s ARG 37 N -2.24 0.35 0.12 1.61 0.52 -1.26 -2.83 118.95 115.22 1zrr s ARG 37 Ca 0.21 0.70 0.06 0.00 -0.52 0.00 0.00 55.73 56.19 1zrr s ARG 37 Cb 0.02 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 1zrr s ARG 37 CO -0.02 -0.53 -0.03 -1.58 0.02 0.00 0.00 175.30 173.17 1zrr s TRP 38 N 2.58 2.86 0.05 -0.53 0.51 -1.24 -4.98 118.94 118.19 1zrr s TRP 38 Ca 0.09 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 53.97 1zrr s TRP 38 Cb -0.14 -1.45 -0.03 0.00 -0.81 0.00 0.00 33.47 31.03 1zrr s TRP 38 CO -0.15 0.48 -0.05 -0.65 -0.51 0.00 0.00 176.95 176.07 1zrr s GLN 39 N -2.49 0.52 0.21 4.98 -1.52 -1.26 -4.72 119.66 115.39 1zrr s GLN 39 Ca 0.25 -0.92 0.05 0.00 -1.95 0.00 0.00 55.36 52.78 1zrr s GLN 39 Cb -0.11 0.00 -0.03 0.00 -0.22 0.00 0.00 33.01 32.65 1zrr s GLN 39 CO 0.17 -0.04 0.31 0.00 -0.25 0.00 0.00 175.29 175.48 1zrr s ALA 40 N -2.47 3.88 -1.11 6.09 0.00 -1.26 -5.00 121.76 121.90 1zrr s ALA 40 Ca -0.04 -1.20 0.20 0.00 0.00 0.00 0.00 51.96 50.92 1zrr s ALA 40 Cb -0.03 -1.68 -0.18 0.00 0.00 0.00 0.00 23.12 21.24 1zrr s ALA 40 CO -0.04 0.34 0.88 -0.25 0.00 0.00 0.00 175.76 176.68 1zrr n ASP 41 N -1.09 1.11 -4.91 0.00 10.43 -1.26 -4.93 116.55 115.90 1zrr n ASP 41 Ca -0.08 -1.06 -0.28 0.00 2.57 0.00 0.00 54.79 55.94 1zrr n ASP 41 Cb 0.56 0.91 -0.03 0.00 1.84 0.00 0.00 41.12 44.40 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1zrr s ARG 42 N -2.78 3.61 -0.28 -1.24 0.52 -1.26 -5.05 118.95 112.46 1zrr s ARG 42 Ca 0.09 -0.06 -0.17 0.00 -0.52 0.00 0.00 55.73 55.07 1zrr s ARG 42 Cb 0.15 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 1zrr s ARG 42 CO 0.77 0.23 0.49 0.34 0.02 0.00 0.00 175.30 177.14 1zrr s ASP 43 N -3.22 6.37 0.42 0.23 2.15 -1.26 -5.06 116.67 116.31 1zrr s ASP 43 Ca 0.43 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.77 1zrr s ASP 43 Cb -0.11 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 40.23 1zrr s ASP 43 CO 0.30 -0.31 0.66 -0.76 -0.17 0.00 0.00 175.17 174.90 1zrr s LEU 44 N 2.28 3.76 0.00 -1.34 1.43 -1.26 -5.02 118.68 118.53 1zrr s LEU 44 Ca 0.19 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1zrr s LEU 44 Cb -0.16 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1zrr s LEU 44 CO 0.10 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1zrr n GLY 45 N -2.03 -0.04 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.19 1zrr n GLY 45 Ca -0.01 0.41 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 46 N -1.08 2.63 -0.55 4.61 0.00 -1.26 -4.91 121.76 121.19 1zrr s ALA 46 Ca 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.00 1zrr s ALA 46 Cb 0.00 -4.46 0.14 0.00 0.00 0.00 0.00 23.12 18.80 1zrr s ALA 46 CO 0.00 -3.64 0.34 0.00 0.00 0.00 0.00 175.76 172.46 1zrr s ALA 47 N 5.64 3.41 0.12 0.00 0.00 -1.26 -4.91 121.76 124.75 1zrr s ALA 47 Ca 0.46 -3.14 0.12 0.00 0.00 0.00 0.00 51.96 49.39 1zrr s ALA 47 Cb -0.03 -2.44 0.17 0.00 0.00 0.00 0.00 23.12 20.82 1zrr s ALA 47 CO -0.03 -2.02 1.49 -1.00 0.00 0.00 0.00 175.76 174.21 1zrr h PRO 48 N 7.02 0.00 -6.64 0.00 0.13 -2.06 -3.44 132.00 127.00 1zrr h PRO 48 Ca -0.05 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.38 1zrr h PRO 48 Cb 0.95 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.80 1zrr h PRO 48 CO 0.69 0.68 -0.88 0.95 -0.23 0.00 0.00 178.00 179.21 1zrr s THR 49 N -3.17 2.16 -0.62 1.56 -4.23 -1.26 -5.01 115.64 105.07 1zrr s THR 49 Ca 0.01 -1.20 0.25 0.00 -1.18 0.00 0.00 61.69 59.56 1zrr s THR 49 Cb 0.10 -1.79 0.30 0.00 1.34 0.00 0.00 72.50 72.45 1zrr s THR 49 CO 0.76 0.49 1.70 0.00 -0.54 0.00 0.00 174.62 177.03 1zrr h ALA 50 N 5.18 0.98 -0.99 3.99 0.00 -2.00 -3.28 119.26 123.14 1zrr h ALA 50 Ca -0.45 0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.68 1zrr h ALA 50 Cb 1.13 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1zrr h ALA 50 CO 0.46 0.00 0.63 0.93 0.00 0.00 0.00 179.25 181.27 1zrr h GLU 51 N 0.00 0.53 0.06 0.00 5.08 -1.99 0.42 114.58 118.67 1zrr h GLU 51 Ca 0.00 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1zrr h GLU 51 Cb 0.84 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1zrr h GLU 51 CO 0.00 0.35 -1.07 1.15 -1.00 0.00 0.00 179.01 178.44 1zrr h THR 52 N 0.54 1.54 0.15 1.13 2.02 -2.00 -2.96 112.91 113.34 1zrr h THR 52 Ca 0.56 -2.98 -0.01 0.00 0.77 0.00 0.00 66.41 64.75 1zrr h THR 52 Cb 1.19 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1zrr h THR 52 CO -0.30 0.87 -0.07 0.58 0.37 0.00 0.00 175.52 176.96 1zrr h VAL 53 N 0.08 0.99 -1.01 3.16 2.07 -0.48 -2.42 116.25 118.64 1zrr h VAL 53 Ca -0.08 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1zrr h VAL 53 Cb 1.78 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 1zrr h VAL 53 CO 0.17 0.18 0.66 0.40 0.02 0.00 0.00 177.57 179.00 1zrr h ILE 54 N -0.59 1.21 -0.27 4.57 2.04 -0.79 -0.25 117.51 123.44 1zrr h ILE 54 Ca -0.02 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1zrr h ILE 54 Cb 0.45 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1zrr h ILE 54 CO 0.03 0.24 0.18 0.00 0.00 0.00 0.00 178.15 178.60 1zrr h ALA 55 N 1.39 1.90 0.00 1.87 0.00 -1.45 1.76 119.26 124.74 1zrr h ALA 55 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1zrr h ALA 55 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zrr h ALA 55 CO -0.11 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1zrr n ALA 56 N -2.52 1.95 0.14 0.00 0.00 -0.13 -3.13 120.51 116.83 1zrr n ALA 56 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1zrr n ALA 56 Cb 0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1zrr n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1zrr n TYR 57 N -2.23 0.00 -0.35 0.00 4.01 0.82 -4.63 117.16 114.78 1zrr n TYR 57 Ca 0.04 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.92 1zrr n TYR 57 Cb 0.32 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 39.69 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1zrr h GLN 58 N 0.04 0.70 -0.65 -0.72 1.08 0.25 0.10 115.11 115.93 1zrr h GLN 58 Ca 0.00 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1zrr h GLN 58 Cb 0.08 -0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 27.26 1zrr h GLN 58 CO 0.00 0.47 0.18 1.12 -0.95 0.00 0.00 178.83 179.64 1zrr h HIS 59 N 0.73 0.29 0.92 2.96 2.07 -1.82 2.41 115.15 122.71 1zrr h HIS 59 Ca 0.59 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 58.10 1zrr h HIS 59 Cb 0.96 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.92 1zrr h HIS 59 CO -0.00 -0.00 -0.44 0.00 -3.07 0.00 0.00 177.93 174.41 1zrr h ALA 60 N 1.50 -1.24 0.00 6.11 0.00 -1.12 -2.58 119.26 121.93 1zrr h ALA 60 Ca 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1zrr h ALA 60 Cb 0.51 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1zrr h ALA 60 CO -0.40 -1.19 -0.19 -0.84 0.00 0.00 0.00 179.25 176.63 1zrr h ILE 61 N -1.26 0.99 -0.23 0.00 -0.00 -1.15 -1.69 117.51 114.17 1zrr h ILE 61 Ca -0.13 -0.69 0.07 0.00 -0.00 0.00 0.00 64.86 64.11 1zrr h ILE 61 Cb 0.95 1.39 -0.01 0.00 -0.00 0.00 0.00 36.82 39.15 1zrr h ILE 61 CO 0.21 0.19 0.27 -0.78 -0.00 0.00 0.00 178.15 178.04 1zrr h ASP 62 N 0.00 0.00 0.36 2.16 3.58 0.45 0.11 116.42 123.08 1zrr h ASP 62 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1zrr h ASP 62 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1zrr h ASP 62 CO 0.02 0.00 -1.59 0.11 -2.88 0.00 0.00 179.24 174.90 1zrr h LYS 63 N 0.00 0.31 -0.19 0.28 1.79 -1.14 -2.52 116.57 115.10 1zrr h LYS 63 Ca 0.11 -0.53 -0.04 0.00 -2.18 0.00 0.00 60.65 58.01 1zrr h LYS 63 Cb 0.65 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1zrr h LYS 63 CO -0.00 1.19 -0.02 1.25 -1.08 0.00 0.00 179.45 180.79 1zrr h LEU 64 N 0.08 0.35 -0.97 2.94 5.85 -0.87 -2.87 115.31 119.82 1zrr h LEU 64 Ca -0.27 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.00 1zrr h LEU 64 Cb 2.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.97 1zrr h LEU 64 CO 0.17 0.60 -0.50 1.62 -0.34 0.00 0.00 178.44 180.00 1zrr h VAL 65 N 0.08 1.36 -0.61 1.05 3.04 -1.14 -2.58 116.25 117.45 1zrr h VAL 65 Ca 0.05 -1.71 0.11 0.00 -1.01 0.00 0.00 66.70 64.13 1zrr h VAL 65 Cb 0.44 1.90 -0.08 0.00 -2.01 0.00 0.00 31.29 31.54 1zrr h VAL 65 CO 0.01 0.49 0.17 0.00 -1.01 0.00 0.00 177.57 177.24 1zrr h ALA 66 N 1.47 0.75 0.01 3.17 0.00 -1.22 3.23 119.26 126.67 1zrr h ALA 66 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1zrr h ALA 66 Cb 0.89 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1zrr h ALA 66 CO 0.07 -0.26 -0.13 1.49 0.00 0.00 0.00 179.25 180.41 1zrr h GLU 67 N 0.32 0.07 -0.46 0.00 4.81 -1.51 -3.25 114.58 114.56 1zrr h GLU 67 Ca 0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1zrr h GLU 67 Cb 0.45 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1zrr h GLU 67 CO -0.37 0.93 0.00 1.63 -0.73 0.00 0.00 179.01 180.48 1zrr n LYS 68 N -4.57 1.67 0.00 1.92 4.01 -0.98 -4.93 118.16 115.27 1zrr n LYS 68 Ca -0.10 -0.75 0.00 0.00 -0.51 0.00 0.00 58.31 56.95 1zrr n LYS 68 Cb 0.49 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.65 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 69 N 0.57 0.00 3.84 0.72 0.00 1.07 -4.78 105.19 106.61 1zrr n GLY 69 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1zrr n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zrr s TYR 70 N 0.00 3.04 0.20 1.61 1.51 -1.26 -4.95 117.35 117.50 1zrr s TYR 70 Ca 0.00 1.11 -0.11 0.00 -1.01 0.00 0.00 57.07 57.06 1zrr s TYR 70 Cb 0.00 -3.10 0.14 0.00 -0.11 0.00 0.00 41.96 38.89 1zrr s TYR 70 CO 0.00 -1.51 1.87 1.96 -1.11 0.00 0.00 175.55 176.76 1zrr h GLN 71 N -0.90 0.91 -3.34 -0.62 1.08 -1.87 -3.46 115.11 106.92 1zrr h GLN 71 Ca -0.46 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 1zrr h GLN 71 Cb 1.26 -0.21 -0.10 0.00 -0.05 0.00 0.00 27.48 28.39 1zrr h GLN 71 CO 0.61 0.60 0.02 -1.12 -0.95 0.00 0.00 178.83 177.99 1zrr s SER 72 N -5.82 -0.23 -0.01 1.46 0.01 -1.16 -5.02 113.70 102.93 1zrr s SER 72 Ca -0.13 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1zrr s SER 72 Cb 0.14 0.59 -0.00 0.00 0.21 0.00 0.00 66.02 66.96 1zrr s SER 72 CO 0.77 -1.08 -0.06 0.86 0.41 0.00 0.00 173.24 174.15 1zrr s TRP 73 N -3.90 0.52 0.38 2.43 -0.11 -1.26 -0.74 118.94 116.26 1zrr s TRP 73 Ca 0.11 -0.10 -0.16 0.00 1.22 0.00 0.00 56.10 57.17 1zrr s TRP 73 Cb -0.01 -0.34 0.05 0.00 -1.50 0.00 0.00 33.47 31.67 1zrr s TRP 73 CO -0.01 -0.02 0.79 0.34 -4.62 0.00 0.00 176.95 173.43 1zrr s ASP 74 N -0.07 -0.01 -0.00 5.86 -1.08 -1.10 -4.88 116.67 115.39 1zrr s ASP 74 Ca 0.01 -1.12 0.07 0.00 -0.52 0.00 0.00 52.55 51.00 1zrr s ASP 74 Cb -0.03 0.84 -0.03 0.00 -1.46 0.00 0.00 42.92 42.25 1zrr s ASP 74 CO -0.00 -1.67 -0.22 -0.69 0.52 0.00 0.00 175.17 173.11 1zrr s VAL 75 N -2.38 2.44 -0.32 1.11 1.01 -1.26 -2.09 120.40 118.91 1zrr s VAL 75 Ca 0.15 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1zrr s VAL 75 Cb -0.05 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1zrr s VAL 75 CO 0.11 0.50 0.22 0.27 0.00 0.00 0.00 175.10 176.20 1zrr s ILE 76 N -0.73 5.23 -0.30 2.22 -4.36 -0.97 -4.93 121.20 117.36 1zrr s ILE 76 Ca 0.11 -0.10 -0.13 0.00 -0.26 0.00 0.00 60.65 60.27 1zrr s ILE 76 Cb -0.10 -3.62 0.18 0.00 1.25 0.00 0.00 42.46 40.17 1zrr s ILE 76 CO 0.01 0.09 1.07 -0.94 0.24 0.00 0.00 174.94 175.41 1zrr s SER 77 N 1.73 -0.40 0.59 4.36 1.04 -1.26 -3.12 113.70 116.64 1zrr s SER 77 Ca 0.06 0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.76 1zrr s SER 77 Cb -0.17 1.30 0.09 0.00 0.10 0.00 0.00 66.02 67.35 1zrr s SER 77 CO 0.10 -0.07 0.77 -0.22 0.98 0.00 0.00 173.24 174.80 1zrr s LEU 78 N 2.96 2.95 0.20 2.42 0.20 -1.26 -4.92 118.68 121.22 1zrr s LEU 78 Ca 0.07 -0.97 -0.15 0.00 0.69 0.00 0.00 54.13 53.77 1zrr s LEU 78 Cb -0.07 -1.41 -0.07 0.00 -0.43 0.00 0.00 46.19 44.20 1zrr s LEU 78 CO -0.14 -1.40 0.61 -0.60 -0.29 0.00 0.00 176.35 174.52 1zrr s ARG 79 N -4.66 4.01 0.00 1.98 6.06 -1.26 -4.29 118.95 120.79 1zrr s ARG 79 Ca 0.59 0.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.38 1zrr s ARG 79 Cb -0.05 -2.81 0.00 0.00 0.06 0.00 0.00 34.95 32.15 1zrr s ARG 79 CO 0.37 0.40 0.48 0.00 -2.50 0.00 0.00 175.30 174.05 1zrr n ALA 80 N 0.50 1.49 0.00 6.12 0.00 -1.26 -0.85 120.51 126.50 1zrr n ALA 80 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1zrr n ALA 80 Cb 0.52 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 1zrr n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1zrr n ASP 81 N -0.98 0.74 -4.67 0.00 -0.08 -1.26 -4.85 116.55 105.45 1zrr n ASP 81 Ca 0.00 0.34 -0.42 0.00 -1.51 0.00 0.00 54.79 53.19 1zrr n ASP 81 Cb 0.00 0.26 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1zrr n ASP 81 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1zrr s ASN 82 N -5.78 6.55 0.00 1.67 2.47 -0.03 -4.86 114.94 114.96 1zrr s ASN 82 Ca -0.04 2.50 0.29 0.00 0.42 0.00 0.00 52.86 56.03 1zrr s ASN 82 Cb 0.08 -2.55 1.27 0.00 -1.45 0.00 0.00 41.25 38.61 1zrr s ASN 82 CO 0.82 -0.96 1.89 -0.81 -3.72 0.00 0.00 177.10 174.32 1zrr n PRO 83 N 6.62 0.62 -0.04 0.43 -0.04 -1.26 -3.59 135.00 137.74 1zrr n PRO 83 Ca 0.18 -0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1zrr n PRO 83 Cb 0.41 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.88 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.03 1.46 -0.10 0.54 6.02 -1.26 -3.90 117.38 119.11 1zrr n GLN 84 Ca 0.14 -0.69 -0.09 0.00 -0.01 0.00 0.00 57.00 56.35 1zrr n GLN 84 Cb 0.27 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1zrr n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1zrr h LYS 85 N 1.47 0.44 -0.00 -1.09 1.63 -1.96 1.17 116.57 118.23 1zrr h LYS 85 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1zrr h LYS 85 Cb 0.32 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1zrr h LYS 85 CO 0.00 0.34 -0.00 0.93 -3.45 0.00 0.00 179.45 177.27 1zrr h GLU 86 N 0.41 -0.01 -0.51 1.90 4.39 -1.88 0.42 114.58 119.30 1zrr h GLU 86 Ca 0.11 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1zrr h GLU 86 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1zrr h GLU 86 CO -0.02 -0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 177.80 1zrr h ALA 87 N 1.00 0.69 0.46 3.43 0.00 -1.71 -0.72 119.26 122.41 1zrr h ALA 87 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1zrr h ALA 87 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1zrr h ALA 87 CO -0.01 0.53 -0.22 1.25 0.00 0.00 0.00 179.25 180.80 1zrr h LEU 88 N 0.78 -0.53 -2.35 0.00 5.85 0.18 -2.17 115.31 117.07 1zrr h LEU 88 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1zrr h LEU 88 Cb 0.56 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1zrr h LEU 88 CO 0.03 -0.30 -0.00 0.08 -0.34 0.00 0.00 178.44 177.91 1zrr h ARG 89 N -0.73 0.00 0.63 1.25 0.11 -0.18 -2.90 114.38 112.56 1zrr h ARG 89 Ca -0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 1zrr h ARG 89 Cb 0.53 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.62 1zrr h ARG 89 CO 0.10 0.00 -0.30 1.49 0.10 0.00 0.00 179.97 181.37 1zrr h GLU 90 N 0.00 -0.81 -0.85 0.08 4.81 -0.49 -0.23 114.58 117.10 1zrr h GLU 90 Ca -0.00 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1zrr h GLU 90 Cb 0.22 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1zrr h GLU 90 CO 0.00 -0.54 0.55 0.87 -0.73 0.00 0.00 179.01 179.16 1zrr h LYS 91 N -1.17 0.81 0.00 1.92 1.57 -1.36 0.31 116.57 118.64 1zrr h LYS 91 Ca -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1zrr h LYS 91 Cb 0.65 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1zrr h LYS 91 CO 0.14 0.53 0.00 0.74 -0.57 0.00 0.00 179.45 180.29 1zrr h PHE 92 N 0.83 0.00 0.00 -1.35 -1.00 -1.48 -2.88 116.94 111.06 1zrr h PHE 92 Ca 0.39 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.15 1zrr h PHE 92 Cb 0.40 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1zrr h PHE 92 CO -0.00 0.00 -0.07 1.37 -1.61 0.00 0.00 178.31 178.00 1zrr h LEU 93 N 0.00 0.00 -9.46 1.54 8.10 0.15 -3.35 115.31 112.29 1zrr h LEU 93 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.39 1zrr h LEU 93 Cb 0.58 0.00 0.15 0.00 -0.44 0.00 0.00 40.66 40.95 1zrr h LEU 93 CO 0.00 0.07 -0.23 0.59 -4.11 0.00 0.00 178.44 174.76 1zrr n ASN 94 N -3.91 -0.27 -4.83 0.17 5.03 -1.09 -4.50 115.26 105.86 1zrr n ASN 94 Ca -0.02 0.91 -0.32 0.00 0.87 0.00 0.00 54.58 56.02 1zrr n ASN 94 Cb 0.16 -1.20 0.01 0.00 -1.02 0.00 0.00 39.78 37.74 1zrr n ASN 94 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1zrr s GLU 95 N -1.81 3.36 0.01 3.52 2.12 -1.26 -4.71 118.70 119.92 1zrr s GLU 95 Ca 0.65 1.00 -0.01 0.00 0.36 0.00 0.00 54.97 56.96 1zrr s GLU 95 Cb -0.56 -2.05 0.01 0.00 0.26 0.00 0.00 34.13 31.79 1zrr s GLU 95 CO 0.57 -0.76 0.07 -2.39 -0.54 0.00 0.00 175.26 172.20 1zrr n HIS 96 N -2.43 -0.42 -3.63 5.30 1.44 -1.08 -4.53 115.22 109.86 1zrr n HIS 96 Ca 0.07 -0.06 -0.11 0.00 -2.01 0.00 0.00 57.72 55.62 1zrr n HIS 96 Cb 0.53 0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 1zrr n HIS 96 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1zrr s THR 97 N -2.37 0.00 0.18 0.61 -1.32 -1.24 -2.47 115.64 109.03 1zrr s THR 97 Ca 0.02 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.56 1zrr s THR 97 Cb -0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1zrr s THR 97 CO 0.00 0.00 0.06 -1.00 -2.21 0.00 0.00 174.62 171.47 1zrr s HIS 98 N 0.61 2.96 -1.44 9.09 0.09 -1.26 -2.19 115.29 123.14 1zrr s HIS 98 Ca -0.01 -0.10 0.27 0.00 -0.00 0.00 0.00 55.06 55.22 1zrr s HIS 98 Cb -0.05 -1.42 1.36 0.00 -0.00 0.00 0.00 32.58 32.47 1zrr s HIS 98 CO -0.06 0.52 1.91 0.41 -0.00 0.00 0.00 174.74 177.53 1zrr n GLY 99 N -0.31 -1.16 3.50 -2.22 0.00 -1.26 -1.91 105.19 101.83 1zrr n GLY 99 Ca -0.09 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1zrr n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zrr s GLU 100 N -2.56 1.74 0.35 1.61 2.56 -1.26 -4.78 118.70 116.36 1zrr s GLU 100 Ca 0.26 -1.95 -0.26 0.00 0.00 0.00 0.00 54.97 53.02 1zrr s GLU 100 Cb 0.18 -1.23 -0.09 0.00 2.00 0.00 0.00 34.13 34.99 1zrr s GLU 100 CO 0.41 -0.07 1.08 -0.51 -0.56 0.00 0.00 175.26 175.60 1zrr s ASP 101 N -3.55 6.94 -0.80 -1.70 1.01 -1.26 -3.92 116.67 113.38 1zrr s ASP 101 Ca 0.34 2.15 -0.13 0.00 0.71 0.00 0.00 52.55 55.62 1zrr s ASP 101 Cb 0.08 -2.60 0.21 0.00 1.01 0.00 0.00 42.92 41.61 1zrr s ASP 101 CO 0.16 -0.37 0.73 -1.61 0.21 0.00 0.00 175.17 174.29 1zrr s GLU 102 N -2.05 3.50 -0.05 8.23 2.02 -0.66 -4.92 118.70 124.77 1zrr s GLU 102 Ca 0.52 -2.45 -0.24 0.00 0.02 0.00 0.00 54.97 52.82 1zrr s GLU 102 Cb -0.27 -4.37 -0.04 0.00 0.10 0.00 0.00 34.13 29.56 1zrr s GLU 102 CO 0.34 -1.28 0.73 0.14 0.02 0.00 0.00 175.26 175.21 1zrr s VAL 103 N 0.18 5.01 -0.06 2.63 -7.23 -1.26 -2.47 120.40 117.20 1zrr s VAL 103 Ca 0.17 1.51 0.01 0.00 -1.81 0.00 0.00 61.98 61.87 1zrr s VAL 103 Cb -0.12 -4.07 0.02 0.00 0.56 0.00 0.00 36.38 32.77 1zrr s VAL 103 CO -0.08 0.25 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.27 1zrr s ARG 104 N 0.77 1.34 -0.18 4.82 3.52 -1.13 -4.65 118.95 123.44 1zrr s ARG 104 Ca 0.39 -0.27 -0.06 0.00 -0.13 0.00 0.00 55.73 55.66 1zrr s ARG 104 Cb -0.18 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.96 1zrr s ARG 104 CO 0.19 -0.06 0.02 0.12 -0.81 0.00 0.00 175.30 174.77 1zrr s PHE 105 N 0.92 3.15 -0.10 5.12 2.19 -1.14 -3.14 117.98 124.98 1zrr s PHE 105 Ca -0.10 -0.12 -0.20 0.00 0.33 0.00 0.00 56.93 56.83 1zrr s PHE 105 Cb -0.15 -2.04 -0.04 0.00 -1.31 0.00 0.00 43.02 39.48 1zrr s PHE 105 CO 0.01 0.04 0.57 -0.06 1.83 0.00 0.00 175.22 177.60 1zrr s PHE 106 N 0.46 3.54 -0.04 10.12 2.99 -1.26 -0.45 117.98 133.34 1zrr s PHE 106 Ca 0.00 1.04 0.05 0.00 0.00 0.00 0.00 56.93 58.02 1zrr s PHE 106 Cb -0.13 -2.66 -0.07 0.00 0.00 0.00 0.00 43.02 40.16 1zrr s PHE 106 CO 0.02 0.13 0.04 0.28 -0.00 0.00 0.00 175.22 175.69 1zrr n VAL 107 N 3.73 0.24 -3.54 -0.44 0.31 -0.31 -4.27 118.33 114.05 1zrr n VAL 107 Ca -0.05 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1zrr n VAL 107 Cb 0.51 -0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 32.86 1zrr n VAL 107 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1zrr s GLU 108 N -2.18 0.77 0.00 5.55 2.56 -0.87 -4.89 118.70 119.64 1zrr s GLU 108 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.97 54.97 1zrr s GLU 108 Cb 0.02 0.36 0.00 0.00 2.00 0.00 0.00 34.13 36.51 1zrr s GLU 108 CO 0.20 -0.27 0.00 0.41 -0.56 0.00 0.00 175.26 175.04 1zrr n GLY 109 N 0.46 -1.00 3.21 -1.50 0.00 -1.26 -1.25 105.19 103.85 1zrr n GLY 109 Ca -0.12 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -3.17 1.16 0.00 4.61 0.00 -1.26 -4.59 121.76 118.50 1zrr s ALA 110 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1zrr s ALA 110 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1zrr s ALA 110 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1zrr n GLY 111 N -0.20 1.33 3.32 0.00 0.00 -1.26 -5.05 105.19 103.32 1zrr n GLY 111 Ca -0.05 -0.44 -0.46 0.00 0.00 0.00 0.00 46.02 45.08 1zrr n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1zrr s LEU 112 N 0.00 6.23 0.06 0.99 0.05 -1.26 -4.35 118.68 120.40 1zrr s LEU 112 Ca 0.00 -1.90 -0.25 0.00 0.05 0.00 0.00 54.13 52.03 1zrr s LEU 112 Cb 0.00 -2.21 -0.06 0.00 -2.05 0.00 0.00 46.19 41.87 1zrr s LEU 112 CO 0.00 -0.83 0.78 0.12 -0.55 0.00 0.00 176.35 175.86 1zrr s PHE 113 N 1.46 3.76 -0.26 3.48 5.36 -1.14 -4.80 117.98 125.83 1zrr s PHE 113 Ca 0.06 1.51 -0.29 0.00 -0.96 0.00 0.00 56.93 57.24 1zrr s PHE 113 Cb -0.27 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.59 1zrr s PHE 113 CO 0.01 0.29 1.17 0.00 -1.46 0.00 0.00 175.22 175.24 1zrr s LEU 115 N 3.71 3.42 -0.40 0.00 1.43 1.17 -4.30 118.68 123.70 1zrr s LEU 115 Ca 0.50 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1zrr s LEU 115 Cb -0.16 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1zrr s LEU 115 CO 0.15 0.03 0.24 -2.28 0.23 0.00 0.00 176.35 174.73 1zrr s HIS 116 N 1.21 3.29 -0.27 0.29 2.46 -1.22 0.29 115.29 121.34 1zrr s HIS 116 Ca 0.04 -1.28 0.03 0.00 0.47 0.00 0.00 55.06 54.32 1zrr s HIS 116 Cb -0.14 -2.76 0.06 0.00 -0.13 0.00 0.00 32.58 29.61 1zrr s HIS 116 CO 0.03 -0.77 -0.10 0.42 -2.47 0.00 0.00 174.74 171.85 1zrr s ILE 117 N 1.49 2.18 0.00 0.89 1.01 -1.19 -3.91 121.20 121.67 1zrr s ILE 117 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1zrr s ILE 117 Cb -0.22 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1zrr s ILE 117 CO 0.04 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1zrr n GLY 118 N 4.42 0.50 3.27 6.18 0.00 -1.26 -3.85 105.19 114.45 1zrr n GLY 118 Ca -0.13 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 1zrr n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zrr n ASP 119 N 1.89 5.63 -3.65 1.61 8.00 -1.26 -4.93 116.55 123.83 1zrr n ASP 119 Ca 0.00 -3.11 -0.03 0.00 0.71 0.00 0.00 54.79 52.36 1zrr n ASP 119 Cb 0.00 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 39.75 1zrr n ASP 119 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zrr s GLU 120 N -1.56 1.22 -0.01 -1.24 2.02 -1.25 -4.65 118.70 113.23 1zrr s GLU 120 Ca 0.31 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.65 1zrr s GLU 120 Cb -0.07 0.40 -0.02 0.00 0.10 0.00 0.00 34.13 34.54 1zrr s GLU 120 CO -0.05 -0.56 -0.19 0.08 0.02 0.00 0.00 175.26 174.55 1zrr s VAL 121 N -3.01 1.54 -0.10 2.63 1.01 -0.52 -3.20 120.40 118.74 1zrr s VAL 121 Ca 0.14 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1zrr s VAL 121 Cb -0.01 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1zrr s VAL 121 CO 0.03 0.39 -0.20 -0.36 0.00 0.00 0.00 175.10 174.97 1zrr s PHE 122 N -0.51 2.24 -0.30 5.22 0.40 0.82 -2.26 117.98 123.59 1zrr s PHE 122 Ca 0.07 -0.96 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 1zrr s PHE 122 Cb -0.08 -1.54 0.08 0.00 0.51 0.00 0.00 43.02 41.99 1zrr s PHE 122 CO -0.00 -0.43 -0.02 -0.65 0.70 0.00 0.00 175.22 174.82 1zrr s GLN 123 N 0.59 1.83 -0.17 0.44 -1.52 0.84 0.37 119.66 122.04 1zrr s GLN 123 Ca -0.14 -1.63 -0.09 0.00 -1.95 0.00 0.00 55.36 51.55 1zrr s GLN 123 Cb -0.17 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 29.51 1zrr s GLN 123 CO 0.05 -0.77 0.12 0.08 -0.25 0.00 0.00 175.29 174.52 1zrr s VAL 124 N 0.99 5.34 -0.43 1.09 1.01 -1.20 0.18 120.40 127.39 1zrr s VAL 124 Ca 0.02 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1zrr s VAL 124 Cb -0.19 -3.40 0.14 0.00 0.00 0.00 0.00 36.38 32.93 1zrr s VAL 124 CO -0.07 0.50 0.27 -0.22 0.00 0.00 0.00 175.10 175.58 1zrr s LEU 125 N -0.06 2.19 -0.30 3.92 0.20 -1.14 -2.90 118.68 120.59 1zrr s LEU 125 Ca 0.10 -2.67 -0.14 0.00 0.69 0.00 0.00 54.13 52.10 1zrr s LEU 125 Cb -0.11 -0.81 0.15 0.00 -0.43 0.00 0.00 46.19 44.99 1zrr s LEU 125 CO -0.00 -0.25 0.92 0.00 -0.29 0.00 0.00 176.35 176.73 1zrr s GLU 127 N 2.26 2.58 0.36 0.00 -1.05 -1.26 -4.95 118.70 116.64 1zrr s GLU 127 Ca -0.05 -1.76 0.09 0.00 -0.15 0.00 0.00 54.97 53.10 1zrr s GLU 127 Cb -0.06 -4.00 -0.06 0.00 -0.44 0.00 0.00 34.13 29.56 1zrr s GLU 127 CO -0.17 -1.22 0.00 0.15 0.95 0.00 0.00 175.26 174.97 1zrr s LYS 128 N 1.41 2.02 0.00 -4.83 -0.14 -1.26 -4.94 119.74 111.99 1zrr s LYS 128 Ca 0.05 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 52.82 1zrr s LYS 128 Cb -0.27 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 1zrr s LYS 128 CO -0.00 0.09 0.48 0.27 -0.76 0.00 0.00 175.35 175.43 1zrr n ASN 129 N -0.95 0.00 -4.76 2.83 6.94 -1.26 -4.26 115.26 113.80 1zrr n ASN 129 Ca -0.04 0.01 -0.41 0.00 -0.02 0.00 0.00 54.58 54.13 1zrr n ASN 129 Cb 0.63 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1zrr s ASP 130 N -1.96 6.94 -0.21 0.53 -4.77 -1.26 -3.64 116.67 112.29 1zrr s ASP 130 Ca 0.00 2.52 -0.19 0.00 -3.30 0.00 0.00 52.55 51.58 1zrr s ASP 130 Cb 0.00 -2.64 -0.03 0.00 -1.09 0.00 0.00 42.92 39.16 1zrr s ASP 130 CO 0.00 -0.42 0.54 -0.22 0.70 0.00 0.00 175.17 175.78 1zrr s LEU 131 N -1.43 4.13 -0.28 2.11 1.98 -1.13 -4.34 118.68 119.72 1zrr s LEU 131 Ca 0.49 0.68 -0.02 0.00 -2.89 0.00 0.00 54.13 52.39 1zrr s LEU 131 Cb -0.37 -2.74 0.04 0.00 0.66 0.00 0.00 46.19 43.78 1zrr s LEU 131 CO 0.47 -0.22 -0.03 -0.51 -1.89 0.00 0.00 176.35 174.17 1zrr s ILE 132 N 1.83 2.91 0.15 6.68 1.10 -1.19 -3.20 121.20 129.49 1zrr s ILE 132 Ca 0.24 -1.24 0.11 0.00 -0.51 0.00 0.00 60.65 59.25 1zrr s ILE 132 Cb -0.15 -2.59 -0.04 0.00 0.15 0.00 0.00 42.46 39.82 1zrr s ILE 132 CO 0.10 0.03 -0.25 -0.55 -2.11 0.00 0.00 174.94 172.15 1zrr s SER 133 N 1.28 3.25 -0.08 4.50 0.15 -1.26 -2.84 113.70 118.70 1zrr s SER 133 Ca -0.03 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1zrr s SER 133 Cb -0.18 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1zrr s SER 133 CO -0.03 0.14 -0.07 -0.69 1.20 0.00 0.00 173.24 173.79 1zrr s VAL 134 N -1.32 3.65 0.76 4.45 1.01 -1.03 -2.79 120.40 125.12 1zrr s VAL 134 Ca 0.16 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1zrr s VAL 134 Cb -0.09 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1zrr s VAL 134 CO 0.07 0.58 1.20 -2.16 0.00 0.00 0.00 175.10 174.79 1zrr s PRO 135 N -0.55 1.97 0.20 2.72 0.04 -1.26 -1.65 135.00 136.46 1zrr s PRO 135 Ca 0.08 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1zrr s PRO 135 Cb -0.12 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1zrr s PRO 135 CO 0.02 -1.96 1.12 0.00 0.04 0.00 0.00 177.00 176.22 1zrr s ALA 136 N -2.07 3.39 0.00 8.56 0.00 -1.25 -3.12 121.76 127.26 1zrr s ALA 136 Ca 0.73 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1zrr s ALA 136 Cb -0.29 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1zrr s ALA 136 CO 0.47 -0.23 0.00 1.58 0.00 0.00 0.00 175.76 177.58 1zrr n HIS 137 N 2.20 0.00 -3.97 0.00 -0.00 -0.80 -4.93 115.22 107.72 1zrr n HIS 137 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.39 1zrr n HIS 137 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.34 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1zrr s THR 138 N -2.04 4.64 0.20 3.57 2.01 -1.18 -5.01 115.64 117.82 1zrr s THR 138 Ca 0.00 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 1zrr s THR 138 Cb 0.00 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 1zrr s THR 138 CO 0.00 0.43 1.52 -2.16 -0.69 0.00 0.00 174.62 173.71 1zrr s PRO 139 N 0.69 4.23 -0.01 4.92 0.04 -1.25 -4.63 135.00 138.99 1zrr s PRO 139 Ca 0.03 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1zrr s PRO 139 Cb -0.13 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1zrr s PRO 139 CO 0.02 -0.54 1.03 -3.38 0.04 0.00 0.00 177.00 174.18 1zrr s HIS 140 N 0.68 -0.20 0.00 0.56 -3.43 -1.03 -3.43 115.29 108.44 1zrr s HIS 140 Ca 0.66 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 1zrr s HIS 140 Cb -0.43 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 1zrr s HIS 140 CO 0.36 -0.50 0.00 -2.67 -2.00 0.00 0.00 174.74 169.93 1zrr n TRP 141 N -0.30 0.00 -3.55 0.38 2.14 -1.26 -2.65 117.44 112.20 1zrr n TRP 141 Ca -0.06 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.53 1zrr n TRP 141 Cb 0.61 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.05 1zrr n TRP 141 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1zrr s PHE 142 N 1.46 -0.20 -0.11 -2.67 5.36 -1.26 -4.93 117.98 115.62 1zrr s PHE 142 Ca 0.00 0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 56.27 1zrr s PHE 142 Cb 0.00 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1zrr s PHE 142 CO 0.00 -0.10 0.30 0.16 -1.46 0.00 0.00 175.22 174.12 1zrr s ASP 143 N 1.37 -0.32 -0.16 6.13 3.84 -1.26 -3.91 116.67 122.37 1zrr s ASP 143 Ca -0.06 0.61 0.16 0.00 -0.00 0.00 0.00 52.55 53.26 1zrr s ASP 143 Cb -0.02 0.58 0.47 0.00 -1.38 0.00 0.00 42.92 42.57 1zrr s ASP 143 CO -0.12 -0.12 1.36 0.23 -0.00 0.00 0.00 175.17 176.52 1zrr n MET 144 N 3.25 2.66 0.00 2.11 2.81 -1.26 -4.87 117.12 121.82 1zrr n MET 144 Ca -0.16 -2.72 0.00 0.00 -1.81 0.00 0.00 57.70 53.01 1zrr n MET 144 Cb 0.57 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zrr n GLY 145 N -0.58 0.00 3.63 3.03 0.00 -1.26 -3.18 105.19 106.82 1zrr n GLY 145 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1zrr n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zrr s SER 146 N 0.00 6.61 -0.27 1.61 1.04 -1.26 -4.85 113.70 116.59 1zrr s SER 146 Ca 0.00 0.72 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 1zrr s SER 146 Cb 0.00 -2.35 -0.00 0.00 0.10 0.00 0.00 66.02 63.77 1zrr s SER 146 CO 0.00 -0.41 0.04 -1.83 0.98 0.00 0.00 173.24 172.02 1zrr s GLU 147 N 2.58 3.26 -0.33 4.02 -1.05 -1.19 -4.96 118.70 121.02 1zrr s GLU 147 Ca 0.27 -0.73 0.09 0.00 -0.15 0.00 0.00 54.97 54.46 1zrr s GLU 147 Cb -0.15 -3.25 0.70 0.00 -0.44 0.00 0.00 34.13 30.98 1zrr s GLU 147 CO 0.09 -0.33 1.77 -0.35 0.95 0.00 0.00 175.26 177.39 1zrr n PRO 148 N 4.85 3.22 -1.45 -4.83 -0.04 -1.26 -4.42 135.00 131.08 1zrr n PRO 148 Ca -0.16 -3.07 0.00 0.00 -0.04 0.00 0.00 63.50 60.23 1zrr n PRO 148 Cb 0.49 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1zrr n PRO 148 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zrr n ASN 149 N -0.46 -1.93 -4.26 3.54 4.05 -1.26 -4.83 115.26 110.12 1zrr n ASN 149 Ca 0.42 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 55.27 1zrr n ASN 149 Cb 1.37 -0.95 0.09 0.00 1.23 0.00 0.00 39.78 41.52 1zrr n ASN 149 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1zrr n PHE 150 N -0.97 -2.83 -3.37 1.20 -1.74 -1.26 -4.78 117.46 103.71 1zrr n PHE 150 Ca 0.00 -1.58 -0.16 0.00 -0.56 0.00 0.00 57.45 55.15 1zrr n PHE 150 Cb 0.48 -0.57 -0.08 0.00 1.52 0.00 0.00 39.48 40.83 1zrr n PHE 150 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1zrr s THR 151 N -2.42 -0.41 0.31 1.97 2.01 -0.38 -4.61 115.64 112.11 1zrr s THR 151 Ca 0.55 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1zrr s THR 151 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1zrr s THR 151 CO 0.36 -0.49 0.14 0.00 -0.69 0.00 0.00 174.62 173.94 1zrr s ALA 152 N 1.99 3.49 -0.14 7.40 0.00 -1.18 -1.16 121.76 132.15 1zrr s ALA 152 Ca 0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 1zrr s ALA 152 Cb -0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1zrr s ALA 152 CO -0.20 0.10 -0.08 0.42 0.00 0.00 0.00 175.76 176.00 1zrr s ILE 153 N -2.36 3.47 0.19 0.00 1.01 0.40 -2.29 121.20 121.62 1zrr s ILE 153 Ca 0.36 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1zrr s ILE 153 Cb -0.04 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1zrr s ILE 153 CO 0.23 0.51 0.10 -0.13 0.00 0.00 0.00 174.94 175.64 1zrr s ARG 154 N 0.38 1.15 0.04 2.79 0.52 -0.89 -2.86 118.95 120.08 1zrr s ARG 154 Ca -0.07 -1.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.57 1zrr s ARG 154 Cb -0.15 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 1zrr s ARG 154 CO 0.04 -0.32 0.07 0.42 0.02 0.00 0.00 175.30 175.53 1zrr s ILE 155 N -4.04 4.55 -0.30 1.52 1.09 -1.26 -2.70 121.20 120.05 1zrr s ILE 155 Ca 0.34 -0.63 -0.16 0.00 -1.10 0.00 0.00 60.65 59.10 1zrr s ILE 155 Cb 0.07 -3.14 -0.02 0.00 -1.06 0.00 0.00 42.46 38.31 1zrr s ILE 155 CO 0.09 0.23 0.39 -0.36 -0.10 0.00 0.00 174.94 175.19 1zrr s PHE 156 N -1.29 3.22 0.10 3.97 2.99 0.08 -4.90 117.98 122.16 1zrr s PHE 156 Ca 0.26 0.24 0.01 0.00 0.00 0.00 0.00 56.93 57.44 1zrr s PHE 156 Cb -0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 43.02 40.20 1zrr s PHE 156 CO 0.18 -0.34 -0.05 0.34 -0.00 0.00 0.00 175.22 175.35 1zrr s ASP 157 N 1.69 1.02 0.32 1.36 2.15 -1.26 -2.99 116.67 118.96 1zrr s ASP 157 Ca 0.15 -1.03 0.02 0.00 0.43 0.00 0.00 52.55 52.12 1zrr s ASP 157 Cb -0.16 0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.55 1zrr s ASP 157 CO 0.11 -0.51 0.49 0.54 -0.17 0.00 0.00 175.17 175.63 1zrr s ASN 158 N -3.04 6.25 0.01 -0.34 4.22 -1.26 -5.03 114.94 115.75 1zrr s ASN 158 Ca 0.13 0.27 -0.25 0.00 -2.14 0.00 0.00 52.86 50.87 1zrr s ASN 158 Cb 0.06 -1.89 -0.18 0.00 1.28 0.00 0.00 41.25 40.52 1zrr s ASN 158 CO -0.04 -0.26 1.39 1.55 -2.04 0.00 0.00 177.10 177.70 1zrr h PRO 159 N 0.87 -0.08 -0.13 3.55 0.13 -2.01 -2.89 132.00 131.45 1zrr h PRO 159 Ca -0.50 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1zrr h PRO 159 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1zrr h PRO 159 CO 0.60 0.25 0.86 0.93 -0.23 0.00 0.00 178.00 180.41 1zrr h GLU 160 N -0.41 0.00 0.13 0.86 5.08 -2.00 1.28 114.58 119.52 1zrr h GLU 160 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1zrr h GLU 160 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1zrr h GLU 160 CO 0.01 0.00 -1.68 0.78 -1.00 0.00 0.00 179.01 177.12 1zrr h GLY 161 N 0.00 0.30 -2.35 -3.84 0.00 -1.92 -3.47 103.07 91.78 1zrr h GLY 161 Ca 0.06 -0.77 -0.44 0.00 0.00 0.00 0.00 47.33 46.17 1zrr h GLY 161 CO -0.00 0.68 -0.18 -0.98 0.00 0.00 0.00 176.54 176.06 1zrr s TRP 162 N -2.52 3.06 0.06 5.60 0.51 0.44 -4.49 118.94 121.61 1zrr s TRP 162 Ca -0.21 -0.04 -0.03 0.00 -2.12 0.00 0.00 56.10 53.71 1zrr s TRP 162 Cb 0.06 -2.31 -0.05 0.00 -0.81 0.00 0.00 33.47 30.36 1zrr s TRP 162 CO 0.77 -0.36 0.26 0.42 -0.51 0.00 0.00 176.95 177.53 1zrr s ILE 163 N -2.45 5.31 0.00 2.03 -1.09 -0.93 -4.81 121.20 119.26 1zrr s ILE 163 Ca 0.50 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1zrr s ILE 163 Cb -0.10 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1zrr s ILE 163 CO 0.35 0.18 0.04 0.00 -1.23 0.00 0.00 174.94 174.29 1zrr n ALA 164 N 0.49 -0.02 -2.45 9.38 0.00 -1.26 -3.66 120.51 122.98 1zrr n ALA 164 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1zrr n ALA 164 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1zrr n ALA 164 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zrr s GLN 165 N -0.93 0.73 -0.25 0.00 -0.21 -1.26 -3.76 119.66 113.99 1zrr s GLN 165 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1zrr s GLN 165 Cb 0.00 -0.29 -0.15 0.00 1.00 0.00 0.00 33.01 33.57 1zrr s GLN 165 CO 0.00 0.02 -0.23 0.34 -2.12 0.00 0.00 175.29 173.30 1zrr n PHE 166 N 0.56 0.00 -0.06 0.91 -0.00 -1.26 -4.69 117.46 112.91 1zrr n PHE 166 Ca -0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.23 1zrr n PHE 166 Cb 0.58 -0.94 -0.09 0.00 -0.00 0.00 0.00 39.48 39.03 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1zrr n THR 167 N -3.32 0.83 0.00 -2.13 -2.24 -1.26 -5.01 114.28 101.16 1zrr n THR 167 Ca -0.44 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1zrr n THR 167 Cb 0.95 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zrr n GLY 168 N 2.28 0.20 3.81 3.38 0.00 -1.26 -5.07 105.19 108.53 1zrr n GLY 168 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1zrr n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zrr s ASP 169 N -2.13 7.06 -0.72 1.61 -0.00 -1.26 -5.02 116.67 116.21 1zrr s ASP 169 Ca 0.00 1.69 -0.03 0.00 -0.00 0.00 0.00 52.55 54.21 1zrr s ASP 169 Cb 0.00 -2.54 0.18 0.00 -0.00 0.00 0.00 42.92 40.57 1zrr s ASP 169 CO 0.00 -0.24 0.56 1.51 -0.00 0.00 0.00 175.17 177.00 1zrr s ASP 170 N -1.99 5.55 0.34 0.27 1.47 -1.26 -4.68 116.67 116.37 1zrr s ASP 170 Ca 0.57 -3.09 0.25 0.00 1.18 0.00 0.00 52.55 51.46 1zrr s ASP 170 Cb -0.12 -1.90 0.69 0.00 -0.34 0.00 0.00 42.92 41.25 1zrr s ASP 170 CO 0.17 -0.33 1.72 -0.29 0.68 0.00 0.00 175.17 177.12 1zrr h ILE 171 N 4.89 0.00 -0.85 2.11 2.10 -1.95 -3.19 117.51 120.62 1zrr h ILE 171 Ca 0.04 -0.67 0.01 0.00 1.08 0.00 0.00 64.86 65.32 1zrr h ILE 171 Cb 0.92 1.64 -0.04 0.00 -1.09 0.00 0.00 36.82 38.25 1zrr h ILE 171 CO 0.75 0.00 0.56 0.00 -1.08 0.00 0.00 178.15 178.38 1zrr h ALA 172 N 2.24 1.08 0.00 0.18 0.00 -1.89 -0.90 119.26 119.97 1zrr h ALA 172 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1zrr h ALA 172 Cb 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1zrr h ALA 172 CO 0.00 0.50 0.06 -1.13 0.00 0.00 0.00 179.25 178.68 1zrr n SER 173 N -4.48 0.00 0.13 0.00 3.41 -1.20 -1.25 113.62 110.22 1zrr n SER 173 Ca 0.09 0.13 -0.24 0.00 -0.26 0.00 0.00 58.87 58.59 1zrr n SER 173 Cb 0.02 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 63.70 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zrr h ALA 174 N 1.35 -0.11 -0.29 7.33 0.00 -1.39 -3.36 119.26 122.79 1zrr h ALA 174 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 1zrr h ALA 174 Cb 0.12 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1zrr h ALA 174 CO 0.00 0.67 -0.04 0.66 0.00 0.00 0.00 179.25 180.55 1zrr n TYR 175 N -3.76 0.96 0.30 0.00 4.02 -0.38 -4.80 117.16 113.49 1zrr n TYR 175 Ca -0.16 -1.26 0.19 0.00 -0.01 0.00 0.00 57.90 56.66 1zrr n TYR 175 Cb 1.06 -0.40 0.99 0.00 -0.02 0.00 0.00 39.34 40.97 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1zrr h PRO 176 N 1.24 0.00 -5.75 -0.72 0.13 -1.70 -3.41 132.00 121.80 1zrr h PRO 176 Ca 0.12 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 176 Cb 1.53 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.58 1zrr h PRO 176 CO 0.30 0.00 0.07 0.50 -0.23 0.00 0.00 178.00 178.64 1zrr s ARG 177 N -3.92 4.28 -0.19 0.86 3.52 -1.26 -4.35 118.95 117.88 1zrr s ARG 177 Ca -0.03 0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 55.99 1zrr s ARG 177 Cb 0.11 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 1zrr s ARG 177 CO 0.39 -0.11 0.66 -1.17 -0.81 0.00 0.00 175.30 174.26 1zrr s LEU 178 N 1.47 4.15 0.00 -0.88 0.20 -1.26 -4.92 118.68 117.44 1zrr s LEU 178 Ca 0.30 0.89 0.00 0.00 0.69 0.00 0.00 54.13 56.01 1zrr s LEU 178 Cb -0.16 -2.95 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1zrr s LEU 178 CO 0.12 -0.30 0.00 0.00 -0.29 0.00 0.00 176.35 175.88