#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 4.32 -0.29 7.33 0.00 -1.21 -3.24 121.76 128.68 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 -1.77 0.15 0.00 0.00 0.00 0.00 23.12 21.50 1zrr s ALA 2 CO 0.00 -0.50 0.60 -1.17 0.00 0.00 0.00 175.76 174.70 1zrr s LEU 3 N -4.52 -1.18 -0.06 0.00 2.96 -0.90 -3.00 118.68 111.98 1zrr s LEU 3 Ca 0.56 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1zrr s LEU 3 Cb -0.10 2.13 -0.03 0.00 0.50 0.00 0.00 46.19 48.69 1zrr s LEU 3 CO 0.35 -0.24 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.22 1zrr s THR 4 N 2.85 3.98 -0.03 3.68 2.01 0.20 -3.44 115.64 124.90 1zrr s THR 4 Ca 0.05 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1zrr s THR 4 Cb -0.13 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1zrr s THR 4 CO -0.19 0.56 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.61 1zrr s ILE 5 N -0.88 0.58 0.30 1.82 1.01 -1.07 0.26 121.20 123.22 1zrr s ILE 5 Ca 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1zrr s ILE 5 Cb -0.11 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 1zrr s ILE 5 CO 0.03 0.20 -0.01 -0.36 0.00 0.00 0.00 174.94 174.80 1zrr s PHE 6 N 0.38 1.95 0.77 3.97 0.08 -1.22 -1.78 117.98 122.13 1zrr s PHE 6 Ca -0.05 -0.80 -0.07 0.00 0.12 0.00 0.00 56.93 56.13 1zrr s PHE 6 Cb -0.09 -1.19 0.11 0.00 -0.57 0.00 0.00 43.02 41.28 1zrr s PHE 6 CO 0.00 0.17 1.08 -1.12 -0.10 0.00 0.00 175.22 175.25 1zrr s SER 7 N -3.46 4.30 0.04 1.36 0.01 -1.21 -2.91 113.70 111.83 1zrr s SER 7 Ca 0.32 0.18 0.14 0.00 1.31 0.00 0.00 55.95 57.90 1zrr s SER 7 Cb 0.06 -0.63 -0.17 0.00 0.21 0.00 0.00 66.02 65.49 1zrr s SER 7 CO 0.13 -1.92 0.85 -0.37 0.41 0.00 0.00 173.24 172.33 1zrr h VAL 8 N -0.81 0.81 -0.00 3.43 -1.51 -1.92 -3.36 116.25 112.89 1zrr h VAL 8 Ca -0.42 -2.49 -0.23 0.00 -1.23 0.00 0.00 66.70 62.33 1zrr h VAL 8 Cb 1.28 2.32 0.01 0.00 -2.13 0.00 0.00 31.29 32.77 1zrr h VAL 8 CO 0.49 0.46 -0.96 0.11 -1.23 0.00 0.00 177.57 176.45 1zrr h LYS 9 N 0.00 0.47 -3.58 5.19 1.57 -1.95 -3.44 116.57 114.83 1zrr h LYS 9 Ca -0.19 -0.50 -0.38 0.00 -1.87 0.00 0.00 60.65 57.71 1zrr h LYS 9 Cb 1.78 0.14 -0.37 0.00 0.08 0.00 0.00 32.23 33.87 1zrr h LYS 9 CO 0.07 1.15 -0.75 0.34 -0.57 0.00 0.00 179.45 179.69 1zrr s ASP 10 N -7.12 0.99 0.07 0.86 -1.08 -1.26 -5.03 116.67 104.11 1zrr s ASP 10 Ca -0.07 -0.01 0.03 0.00 -0.52 0.00 0.00 52.55 51.99 1zrr s ASP 10 Cb 0.08 -0.25 -0.24 0.00 -1.46 0.00 0.00 42.92 41.05 1zrr s ASP 10 CO 0.88 -0.18 1.12 1.55 0.52 0.00 0.00 175.17 179.06 1zrr h PRO 11 N 7.96 0.11 0.00 4.34 0.13 -1.86 -3.19 132.00 139.49 1zrr h PRO 11 Ca -0.26 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1zrr h PRO 11 Cb 1.13 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1zrr h PRO 11 CO 0.31 1.02 0.00 0.94 -0.23 0.00 0.00 178.00 180.04 1zrr n GLN 12 N -3.38 0.49 -3.99 0.86 -0.06 -1.26 -4.52 117.38 105.52 1zrr n GLN 12 Ca -0.06 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.59 1zrr n GLN 12 Cb 0.99 -1.36 -0.15 0.00 -4.06 0.00 0.00 30.24 25.66 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1zrr s ASN 13 N -1.86 3.89 -0.25 1.69 0.01 -1.23 -5.09 114.94 112.10 1zrr s ASN 13 Ca 0.17 -0.48 -0.13 0.00 -0.71 0.00 0.00 52.86 51.71 1zrr s ASN 13 Cb 0.08 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.05 1zrr s ASN 13 CO 0.13 -0.01 0.27 -0.94 -1.51 0.00 0.00 177.10 175.04 1zrr s SER 14 N 1.40 6.18 0.00 -1.22 1.04 -1.26 -3.34 113.70 116.50 1zrr s SER 14 Ca 0.05 0.19 0.26 0.00 0.48 0.00 0.00 55.95 56.94 1zrr s SER 14 Cb -0.14 -2.16 0.68 0.00 0.10 0.00 0.00 66.02 64.50 1zrr s SER 14 CO -0.07 -0.06 1.52 0.18 0.98 0.00 0.00 173.24 175.79 1zrr n LEU 15 N 4.84 0.92 -3.23 2.42 4.32 -0.73 -4.72 117.00 120.82 1zrr n LEU 15 Ca -0.12 -0.21 -0.02 0.00 -0.02 0.00 0.00 56.01 55.64 1zrr n LEU 15 Cb 0.51 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.13 1zrr n LEU 15 CO 0.36 0.18 0.04 0.86 -1.22 0.00 0.00 177.39 177.61 1zrr s TRP 16 N -2.62 -1.36 -0.26 -1.77 -0.00 -1.22 -5.04 118.94 106.68 1zrr s TRP 16 Ca 0.21 1.04 0.02 0.00 -0.00 0.00 0.00 56.10 57.37 1zrr s TRP 16 Cb 0.19 0.21 0.05 0.00 -0.00 0.00 0.00 33.47 33.93 1zrr s TRP 16 CO 0.56 -0.92 -0.10 -1.58 -0.00 0.00 0.00 176.95 174.91 1zrr s HIS 17 N 2.71 3.22 0.14 5.86 5.65 -1.26 -2.59 115.29 129.02 1zrr s HIS 17 Ca 0.14 -2.19 -0.25 0.00 0.25 0.00 0.00 55.06 53.01 1zrr s HIS 17 Cb -0.13 -1.96 0.07 0.00 -1.18 0.00 0.00 32.58 29.38 1zrr s HIS 17 CO -0.23 -0.86 0.76 -1.12 -0.65 0.00 0.00 174.74 172.64 1zrr s SER 18 N 1.14 -0.39 -0.41 9.88 0.01 -1.22 -5.08 113.70 117.62 1zrr s SER 18 Ca -0.07 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1zrr s SER 18 Cb -0.19 0.55 0.13 0.00 0.21 0.00 0.00 66.02 66.72 1zrr s SER 18 CO -0.05 -0.94 0.22 0.28 0.41 0.00 0.00 173.24 173.16 1zrr s THR 19 N -3.54 1.16 0.13 1.44 -1.32 -1.26 -2.11 115.64 110.15 1zrr s THR 19 Ca 0.06 -2.32 0.09 0.00 -1.21 0.00 0.00 61.69 58.30 1zrr s THR 19 Cb -0.02 -1.82 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1zrr s THR 19 CO -0.06 -0.89 -0.20 0.20 -2.21 0.00 0.00 174.62 171.46 1zrr s ASN 20 N 0.58 2.66 -0.13 8.08 0.02 -1.20 -4.71 114.94 120.25 1zrr s ASN 20 Ca 0.17 -0.77 -0.23 0.00 -1.02 0.00 0.00 52.86 51.01 1zrr s ASN 20 Cb -0.24 -0.15 -0.26 0.00 0.02 0.00 0.00 41.25 40.62 1zrr s ASN 20 CO -0.01 0.03 0.63 0.00 0.02 0.00 0.00 177.10 177.77 1zrr h ALA 21 N 3.70 0.07 0.15 0.60 0.00 -1.99 -3.09 119.26 118.70 1zrr h ALA 21 Ca -0.45 -0.81 -0.25 0.00 0.00 0.00 0.00 54.91 53.40 1zrr h ALA 21 Cb 1.19 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.27 1zrr h ALA 21 CO 0.44 0.40 -1.18 0.93 0.00 0.00 0.00 179.25 179.84 1zrr h GLU 22 N -0.72 0.32 0.00 0.00 4.39 -1.99 -3.20 114.58 113.38 1zrr h GLU 22 Ca -0.17 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 58.96 1zrr h GLU 22 Cb 1.36 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1zrr h GLU 22 CO 0.00 1.26 -0.14 1.49 -1.16 0.00 0.00 179.01 180.46 1zrr h GLU 23 N -0.25 0.00 0.51 2.33 4.81 -1.98 -1.06 114.58 118.93 1zrr h GLU 23 Ca -0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1zrr h GLU 23 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1zrr h GLU 23 CO 0.14 0.14 -0.24 0.82 -0.73 0.00 0.00 179.01 179.14 1zrr h ILE 24 N 0.00 0.21 -0.66 2.32 2.04 -1.61 -1.88 117.51 117.93 1zrr h ILE 24 Ca -0.00 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1zrr h ILE 24 Cb 0.41 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1zrr h ILE 24 CO 0.02 0.04 0.40 0.06 0.00 0.00 0.00 178.15 178.67 1zrr h GLN 25 N -1.09 0.76 -0.81 2.37 3.07 -1.52 -0.44 115.11 117.45 1zrr h GLN 25 Ca -0.07 -0.05 0.16 0.00 0.09 0.00 0.00 58.65 58.78 1zrr h GLN 25 Cb 0.59 -0.17 -0.06 0.00 0.08 0.00 0.00 27.48 27.92 1zrr h GLN 25 CO 0.11 0.50 0.54 0.37 0.09 0.00 0.00 178.83 180.45 1zrr h GLN 26 N 0.78 0.47 0.43 0.06 4.15 -1.19 1.85 115.11 121.67 1zrr h GLN 26 Ca 0.27 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1zrr h GLN 26 Cb 0.04 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1zrr h GLN 26 CO -0.12 0.31 -0.21 0.37 -1.93 0.00 0.00 178.83 177.26 1zrr h GLN 27 N 0.49 -0.55 0.27 1.69 5.75 -0.22 -1.58 115.11 120.96 1zrr h GLN 27 Ca 0.41 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 1zrr h GLN 27 Cb 0.87 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.54 1zrr h GLN 27 CO -0.15 -0.37 -0.13 1.37 -2.65 0.00 0.00 178.83 176.90 1zrr h LEU 28 N -0.80 -0.31 -1.70 -2.39 -0.00 -1.14 -2.92 115.31 106.06 1zrr h LEU 28 Ca -0.06 -0.22 0.33 0.00 -0.00 0.00 0.00 57.88 57.93 1zrr h LEU 28 Cb 0.44 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.11 1zrr h LEU 28 CO 0.10 0.12 0.80 -1.13 -0.00 0.00 0.00 178.44 178.33 1zrr h ASN 29 N -0.83 0.19 0.27 0.17 -0.73 0.27 2.98 115.58 117.91 1zrr h ASN 29 Ca -0.04 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1zrr h ASN 29 Cb 0.51 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 1zrr h ASN 29 CO 0.06 0.01 -0.10 0.00 -0.37 0.00 0.00 177.43 177.04 1zrr h ALA 30 N 1.49 1.37 -0.42 1.57 0.00 -1.08 0.00 119.26 122.19 1zrr h ALA 30 Ca 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1zrr h ALA 30 Cb 2.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1zrr h ALA 30 CO -0.16 0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.84 1zrr n LYS 31 N -3.74 2.05 -0.32 0.00 5.02 0.99 -4.85 118.16 117.30 1zrr n LYS 31 Ca -0.02 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1zrr n LYS 31 Cb 0.20 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 32 N 1.13 1.34 3.88 0.72 0.00 -0.02 -5.05 105.19 107.20 1zrr n GLY 32 Ca 0.14 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 5.22 0.44 1.61 1.01 -1.12 -4.44 120.40 121.13 1zrr s VAL 33 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1zrr s VAL 33 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1zrr s VAL 33 CO 0.00 0.26 0.82 -0.60 0.00 0.00 0.00 175.10 175.59 1zrr s ARG 34 N -2.03 3.79 0.04 2.72 3.00 -1.02 -4.06 118.95 121.38 1zrr s ARG 34 Ca 0.32 0.56 -0.21 0.00 -1.00 0.00 0.00 55.73 55.40 1zrr s ARG 34 Cb -0.13 -2.33 0.05 0.00 0.00 0.00 0.00 34.95 32.54 1zrr s ARG 34 CO 0.19 -0.12 0.49 0.12 0.00 0.00 0.00 175.30 175.99 1zrr s PHE 35 N -2.48 -0.38 -0.02 5.12 2.19 -1.26 -3.83 117.98 117.32 1zrr s PHE 35 Ca 0.53 0.43 -0.30 0.00 0.33 0.00 0.00 56.93 57.92 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 0.33 -0.61 1.30 -2.00 1.83 0.00 0.00 175.22 176.07 1zrr s GLU 36 N -2.33 0.38 -0.16 10.12 2.56 -1.25 -4.98 118.70 123.04 1zrr s GLU 36 Ca -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 54.97 54.64 1zrr s GLU 36 Cb -0.01 0.12 0.08 0.00 2.00 0.00 0.00 34.13 36.32 1zrr s GLU 36 CO -0.01 -0.17 0.31 1.03 -0.56 0.00 0.00 175.26 175.86 1zrr s ARG 37 N -2.26 0.21 0.07 4.30 0.52 -1.26 -3.25 118.95 117.28 1zrr s ARG 37 Ca 0.19 0.77 0.05 0.00 -0.52 0.00 0.00 55.73 56.22 1zrr s ARG 37 Cb 0.03 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 1zrr s ARG 37 CO -0.03 -0.33 -0.06 -1.58 0.02 0.00 0.00 175.30 173.32 1zrr s TRP 38 N 2.48 2.87 0.08 -0.53 0.51 -1.26 -4.98 118.94 118.11 1zrr s TRP 38 Ca 0.02 -0.08 0.01 0.00 -2.12 0.00 0.00 56.10 53.93 1zrr s TRP 38 Cb -0.13 -1.52 -0.04 0.00 -0.81 0.00 0.00 33.47 30.98 1zrr s TRP 38 CO -0.10 0.43 -0.05 -0.65 -0.51 0.00 0.00 176.95 176.06 1zrr s GLN 39 N -2.03 0.77 0.30 4.98 -1.52 -1.26 -4.75 119.66 116.15 1zrr s GLN 39 Ca 0.22 -1.30 0.03 0.00 -1.95 0.00 0.00 55.36 52.36 1zrr s GLN 39 Cb -0.11 -0.08 -0.03 0.00 -0.22 0.00 0.00 33.01 32.57 1zrr s GLN 39 CO 0.14 -0.05 0.46 0.00 -0.25 0.00 0.00 175.29 175.59 1zrr s ALA 40 N -3.71 3.84 -0.21 6.09 0.00 -1.26 -5.01 121.76 121.50 1zrr s ALA 40 Ca 0.10 -1.09 0.22 0.00 0.00 0.00 0.00 51.96 51.19 1zrr s ALA 40 Cb 0.06 -1.91 -0.26 0.00 0.00 0.00 0.00 23.12 21.01 1zrr s ALA 40 CO -0.06 0.09 0.63 -3.47 0.00 0.00 0.00 175.76 172.94 1zrr n ASP 41 N -1.61 0.25 -4.97 0.00 2.03 -1.26 -4.93 116.55 106.06 1zrr n ASP 41 Ca -0.06 -0.09 -0.22 0.00 0.52 0.00 0.00 54.79 54.94 1zrr n ASP 41 Cb 0.57 1.62 0.03 0.00 -0.72 0.00 0.00 41.12 42.62 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1zrr s ARG 42 N -3.42 2.75 -0.25 -0.67 0.52 -1.26 -5.06 118.95 111.56 1zrr s ARG 42 Ca -0.04 -0.69 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 1zrr s ARG 42 Cb 0.14 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1zrr s ARG 42 CO 0.88 -0.53 0.42 -0.51 0.02 0.00 0.00 175.30 175.59 1zrr s ASP 43 N -4.34 6.35 0.46 0.23 -0.00 -1.26 -5.07 116.67 113.04 1zrr s ASP 43 Ca 0.54 0.41 0.03 0.00 -0.00 0.00 0.00 52.55 53.52 1zrr s ASP 43 Cb -0.10 -2.24 0.01 0.00 -0.00 0.00 0.00 42.92 40.59 1zrr s ASP 43 CO 0.38 -0.19 0.66 -0.76 -0.00 0.00 0.00 175.17 175.25 1zrr s LEU 44 N 1.98 3.58 0.00 1.23 1.43 -1.26 -5.05 118.68 120.59 1zrr s LEU 44 Ca 0.18 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1zrr s LEU 44 Cb -0.15 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1zrr s LEU 44 CO 0.09 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.47 1zrr n GLY 45 N -2.06 1.08 3.43 -3.19 0.00 -1.26 -5.03 105.19 98.17 1zrr n GLY 45 Ca 0.04 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr n ALA 46 N -3.00 3.94 -3.73 4.61 0.00 -1.26 -4.90 120.51 116.17 1zrr n ALA 46 Ca 0.00 -4.08 -0.37 0.00 0.00 0.00 0.00 53.44 48.99 1zrr n ALA 46 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.06 1zrr n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zrr s ALA 47 N 2.59 3.38 -1.17 0.00 0.00 -1.26 -5.02 121.76 120.29 1zrr s ALA 47 Ca 0.47 -2.87 -0.22 0.00 0.00 0.00 0.00 51.96 49.34 1zrr s ALA 47 Cb 0.02 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 1zrr s ALA 47 CO 0.03 -1.95 1.92 -0.35 0.00 0.00 0.00 175.76 175.41 1zrr n PRO 48 N 4.11 1.72 -3.49 0.00 -0.04 -1.26 -4.80 135.00 131.24 1zrr n PRO 48 Ca 0.02 -2.49 0.01 0.00 -0.04 0.00 0.00 63.50 61.00 1zrr n PRO 48 Cb 0.40 -3.65 -0.03 0.00 -0.04 0.00 0.00 33.50 30.17 1zrr n PRO 48 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1zrr s THR 49 N 10.04 -0.85 -0.06 0.52 -4.23 -1.26 -5.05 115.64 114.75 1zrr s THR 49 Ca 0.66 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.98 1zrr s THR 49 Cb 0.01 -1.00 -0.30 0.00 1.34 0.00 0.00 72.50 72.55 1zrr s THR 49 CO 0.13 0.00 0.80 0.00 -0.54 0.00 0.00 174.62 175.01 1zrr h ALA 50 N 7.88 -0.02 0.00 3.99 0.00 -2.02 -3.25 119.26 125.84 1zrr h ALA 50 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1zrr h ALA 50 Cb 1.12 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1zrr h ALA 50 CO 0.11 0.53 0.00 1.49 0.00 0.00 0.00 179.25 181.38 1zrr h GLU 51 N -0.32 0.00 0.06 0.00 4.81 -2.00 -2.63 114.58 114.51 1zrr h GLU 51 Ca -0.20 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.79 1zrr h GLU 51 Cb 1.72 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.12 1zrr h GLU 51 CO 0.13 0.00 -0.96 1.15 -0.73 0.00 0.00 179.01 178.60 1zrr h THR 52 N 0.00 1.35 -0.16 0.32 2.02 -1.97 -2.51 112.91 111.95 1zrr h THR 52 Ca 0.00 -2.31 -0.01 0.00 0.77 0.00 0.00 66.41 64.86 1zrr h THR 52 Cb 0.22 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1zrr h THR 52 CO 0.00 0.69 0.05 0.58 0.37 0.00 0.00 175.52 177.21 1zrr h VAL 53 N 0.12 1.18 -0.72 3.16 2.07 -1.52 -0.61 116.25 119.92 1zrr h VAL 53 Ca -0.14 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1zrr h VAL 53 Cb 1.66 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1zrr h VAL 53 CO 0.19 0.17 0.42 0.40 0.02 0.00 0.00 177.57 178.77 1zrr h ILE 54 N 0.09 1.21 -0.03 4.57 1.08 -1.65 -1.20 117.51 121.59 1zrr h ILE 54 Ca 0.05 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 1zrr h ILE 54 Cb 0.22 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1zrr h ILE 54 CO -0.00 0.23 -0.10 0.00 -0.69 0.00 0.00 178.15 177.58 1zrr h ALA 55 N 1.22 1.78 0.00 1.87 0.00 -1.17 1.18 119.26 124.14 1zrr h ALA 55 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1zrr h ALA 55 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1zrr h ALA 55 CO -0.05 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1zrr h ALA 56 N 1.86 1.00 -0.00 0.00 0.00 0.09 -3.19 119.26 119.02 1zrr h ALA 56 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 56 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zrr h ALA 56 CO 0.01 0.00 -0.21 0.66 0.00 0.00 0.00 179.25 179.72 1zrr n TYR 57 N -3.00 0.00 -0.34 0.00 4.01 -0.35 -4.59 117.16 112.89 1zrr n TYR 57 Ca 0.03 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.96 1zrr n TYR 57 Cb 0.42 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.87 1zrr n TYR 57 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1zrr h GLN 58 N 0.49 0.50 -0.78 -0.72 5.75 0.14 0.52 115.11 121.00 1zrr h GLN 58 Ca 0.00 -0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.63 1zrr h GLN 58 Cb 0.21 -0.11 -0.10 0.00 1.07 0.00 0.00 27.48 28.54 1zrr h GLN 58 CO 0.00 0.33 0.30 1.25 -2.65 0.00 0.00 178.83 178.06 1zrr h HIS 59 N 0.52 0.51 0.82 3.99 -0.00 -1.81 1.28 115.15 120.45 1zrr h HIS 59 Ca 0.66 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 61.03 1zrr h HIS 59 Cb 1.35 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 28.66 1zrr h HIS 59 CO -0.01 0.02 -0.40 0.00 -0.00 0.00 0.00 177.93 177.55 1zrr h ALA 60 N 1.59 -1.11 -0.04 5.26 0.00 -0.30 -2.81 119.26 121.87 1zrr h ALA 60 Ca 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zrr h ALA 60 Cb 0.72 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1zrr h ALA 60 CO -0.45 -1.05 -0.05 -0.84 0.00 0.00 0.00 179.25 176.87 1zrr h ILE 61 N -1.25 1.06 -0.44 0.00 -0.00 -1.22 -0.72 117.51 114.94 1zrr h ILE 61 Ca -0.11 -0.26 0.13 0.00 -0.00 0.00 0.00 64.86 64.62 1zrr h ILE 61 Cb 0.86 1.09 -0.02 0.00 -0.00 0.00 0.00 36.82 38.74 1zrr h ILE 61 CO 0.19 0.08 0.34 0.44 -0.00 0.00 0.00 178.15 179.20 1zrr h ASP 62 N 0.05 0.00 0.02 2.16 3.45 0.19 0.98 116.42 123.27 1zrr h ASP 62 Ca 0.01 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.23 1zrr h ASP 62 Cb 0.12 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1zrr h ASP 62 CO 0.01 0.00 -0.92 0.11 -1.57 0.00 0.00 179.24 176.86 1zrr h LYS 63 N 0.00 0.67 -0.36 3.56 1.79 -0.98 -2.77 116.57 118.48 1zrr h LYS 63 Ca 0.21 -0.65 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 1zrr h LYS 63 Cb 0.89 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1zrr h LYS 63 CO -0.00 1.25 -0.07 -0.07 -1.08 0.00 0.00 179.45 179.47 1zrr h LEU 64 N 0.41 0.58 -0.92 2.94 4.07 -0.86 -2.34 115.31 119.19 1zrr h LEU 64 Ca -0.09 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.61 1zrr h LEU 64 Cb 1.56 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 1zrr h LEU 64 CO 0.18 0.70 -0.50 0.58 -1.08 0.00 0.00 178.44 178.32 1zrr h VAL 65 N 0.56 1.35 0.08 1.22 2.07 -1.28 0.41 116.25 120.67 1zrr h VAL 65 Ca 0.11 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1zrr h VAL 65 Cb 0.46 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1zrr h VAL 65 CO 0.02 0.50 -0.17 0.00 0.02 0.00 0.00 177.57 177.95 1zrr h ALA 66 N 1.41 -0.26 0.00 1.67 0.00 -1.12 0.84 119.26 121.79 1zrr h ALA 66 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1zrr h ALA 66 Cb 0.91 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1zrr h ALA 66 CO 0.07 -0.68 -0.79 0.93 0.00 0.00 0.00 179.25 178.77 1zrr h GLU 67 N -0.31 0.00 -0.54 0.00 4.39 -1.53 -3.35 114.58 113.23 1zrr h GLU 67 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1zrr h GLU 67 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1zrr h GLU 67 CO -0.11 0.75 0.00 1.17 -1.16 0.00 0.00 179.01 179.66 1zrr n LYS 68 N -4.52 1.82 0.00 2.33 3.00 0.14 -4.92 118.16 116.01 1zrr n LYS 68 Ca -0.21 -0.85 0.00 0.00 -0.00 0.00 0.00 58.31 57.25 1zrr n LYS 68 Cb 0.52 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.11 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zrr n GLY 69 N 0.52 0.00 3.83 3.14 0.00 0.29 -4.78 105.19 108.19 1zrr n GLY 69 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 2.81 0.00 1.61 2.02 -1.26 -5.02 117.35 117.51 1zrr s TYR 70 Ca 0.00 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1zrr s TYR 70 Cb 0.00 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 1zrr s TYR 70 CO 0.00 -1.90 0.06 1.04 -1.57 0.00 0.00 175.55 173.18 1zrr n GLN 71 N -3.47 0.00 -3.66 -0.62 1.13 -1.26 -4.86 117.38 104.64 1zrr n GLN 71 Ca 0.07 0.01 -0.20 0.00 -1.94 0.00 0.00 57.00 54.93 1zrr n GLN 71 Cb 0.58 -0.56 -0.03 0.00 0.11 0.00 0.00 30.24 30.34 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1zrr s SER 72 N -2.14 5.41 0.00 1.08 0.01 -0.94 -4.98 113.70 112.14 1zrr s SER 72 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1zrr s SER 72 Cb 0.00 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 1zrr s SER 72 CO 0.00 -0.44 -0.04 0.86 0.41 0.00 0.00 173.24 174.04 1zrr s TRP 73 N -2.31 0.32 0.35 2.43 -0.11 -1.26 -0.59 118.94 117.77 1zrr s TRP 73 Ca 0.44 -0.13 -0.15 0.00 1.22 0.00 0.00 56.10 57.48 1zrr s TRP 73 Cb -0.06 -0.20 0.04 0.00 -1.50 0.00 0.00 33.47 31.74 1zrr s TRP 73 CO 0.28 -0.02 0.73 0.34 -4.62 0.00 0.00 176.95 173.66 1zrr s ASP 74 N -0.31 0.04 0.04 5.86 2.15 -1.12 -4.87 116.67 118.47 1zrr s ASP 74 Ca -0.01 -1.06 0.08 0.00 0.43 0.00 0.00 52.55 51.99 1zrr s ASP 74 Cb -0.03 0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 43.37 1zrr s ASP 74 CO -0.00 -1.56 -0.23 0.54 -0.17 0.00 0.00 175.17 173.75 1zrr s VAL 75 N -2.78 1.84 -0.29 1.11 0.11 -1.26 -2.49 120.40 116.64 1zrr s VAL 75 Ca 0.16 -1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 57.86 1zrr s VAL 75 Cb -0.05 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1zrr s VAL 75 CO 0.11 0.27 0.12 -0.63 -3.33 0.00 0.00 175.10 171.64 1zrr s ILE 76 N -0.79 4.41 -0.30 7.04 1.01 -0.05 -4.91 121.20 127.60 1zrr s ILE 76 Ca 0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1zrr s ILE 76 Cb -0.09 -3.20 0.19 0.00 0.01 0.00 0.00 42.46 39.37 1zrr s ILE 76 CO 0.02 0.15 0.87 -0.94 0.00 0.00 0.00 174.94 175.04 1zrr s SER 77 N 1.59 -0.89 0.39 3.58 1.04 -1.26 -1.53 113.70 116.63 1zrr s SER 77 Ca 0.05 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.72 1zrr s SER 77 Cb -0.16 1.61 0.02 0.00 0.10 0.00 0.00 66.02 67.58 1zrr s SER 77 CO 0.05 -0.16 0.14 -0.11 0.98 0.00 0.00 173.24 174.14 1zrr n LEU 78 N 5.31 0.00 -4.90 2.42 7.94 -1.26 -4.97 117.00 121.54 1zrr n LEU 78 Ca 0.04 -2.27 -0.30 0.00 -1.11 0.00 0.00 56.01 52.37 1zrr n LEU 78 Cb 0.55 0.13 -0.04 0.00 0.53 0.00 0.00 43.42 44.59 1zrr n LEU 78 CO -0.10 -0.41 0.16 -0.60 -1.11 0.00 0.00 177.39 175.33 1zrr s ARG 79 N -3.52 3.66 0.00 1.96 3.52 -1.26 -4.10 118.95 119.22 1zrr s ARG 79 Ca 0.11 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1zrr s ARG 79 Cb -0.01 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1zrr s ARG 79 CO 0.07 0.30 0.57 0.00 -0.81 0.00 0.00 175.30 175.43 1zrr n ALA 80 N -0.53 0.53 -0.63 6.12 0.00 -1.26 -0.56 120.51 124.18 1zrr n ALA 80 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1zrr n ALA 80 Cb 0.53 -0.46 0.09 0.00 0.00 0.00 0.00 19.45 19.61 1zrr n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1zrr n ASP 81 N -1.07 4.74 -4.68 0.00 8.00 -1.26 -4.93 116.55 117.34 1zrr n ASP 81 Ca 0.00 -3.11 -0.42 0.00 0.71 0.00 0.00 54.79 51.97 1zrr n ASP 81 Cb 0.19 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 1zrr n ASP 81 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1zrr s ASN 82 N -0.42 7.07 0.19 -2.24 2.47 0.28 -4.93 114.94 117.35 1zrr s ASN 82 Ca 0.38 1.76 0.10 0.00 0.42 0.00 0.00 52.86 55.52 1zrr s ASN 82 Cb 0.31 -2.56 -0.09 0.00 -1.45 0.00 0.00 41.25 37.46 1zrr s ASN 82 CO 0.04 -0.58 1.34 1.55 -3.72 0.00 0.00 177.10 175.73 1zrr h PRO 83 N 7.46 0.00 -0.43 0.43 0.13 -1.92 -3.22 132.00 134.46 1zrr h PRO 83 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1zrr h PRO 83 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1zrr h PRO 83 CO 0.89 0.78 0.00 1.04 -0.23 0.00 0.00 178.00 180.47 1zrr n GLN 84 N -3.29 2.01 0.17 0.86 6.02 -1.26 -4.35 117.38 117.55 1zrr n GLN 84 Ca 0.01 -1.47 -0.16 0.00 -0.01 0.00 0.00 57.00 55.37 1zrr n GLN 84 Cb 0.85 -1.35 -0.09 0.00 1.02 0.00 0.00 30.24 30.68 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 2.35 -0.75 0.09 -1.09 3.64 -1.97 1.96 116.57 120.80 1zrr h LYS 85 Ca 0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1zrr h LYS 85 Cb 0.59 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1zrr h LYS 85 CO 0.02 -0.50 -0.04 0.93 -2.27 0.00 0.00 179.45 177.58 1zrr h GLU 86 N -0.78 -0.12 -0.85 1.90 5.08 -1.86 -2.32 114.58 115.64 1zrr h GLU 86 Ca -0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1zrr h GLU 86 Cb 0.75 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 1zrr h GLU 86 CO -0.19 0.24 0.49 0.00 -1.00 0.00 0.00 179.01 178.56 1zrr h ALA 87 N 0.37 1.23 -0.72 3.43 0.00 -1.73 -0.29 119.26 121.55 1zrr h ALA 87 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1zrr h ALA 87 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1zrr h ALA 87 CO 0.02 0.11 0.47 1.25 0.00 0.00 0.00 179.25 181.10 1zrr h LEU 88 N 0.82 0.81 -1.24 0.00 5.85 0.32 -1.72 115.31 120.15 1zrr h LEU 88 Ca 0.41 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1zrr h LEU 88 Cb 0.39 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1zrr h LEU 88 CO -0.25 0.58 0.55 0.03 -0.34 0.00 0.00 178.44 179.01 1zrr h ARG 89 N 0.96 0.85 0.00 1.25 3.08 -0.48 0.16 114.38 120.21 1zrr h ARG 89 Ca 0.27 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1zrr h ARG 89 Cb -0.09 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1zrr h ARG 89 CO -0.07 0.57 -0.07 0.93 -1.07 0.00 0.00 179.97 180.26 1zrr h GLU 90 N 0.88 0.00 -0.30 0.04 4.39 -0.87 -1.65 114.58 117.08 1zrr h GLU 90 Ca 0.38 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.04 1zrr h GLU 90 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1zrr h GLU 90 CO -0.15 0.07 0.03 1.57 -1.16 0.00 0.00 179.01 179.37 1zrr h LYS 91 N 0.00 0.50 0.00 2.33 2.10 -0.43 -3.08 116.57 118.00 1zrr h LYS 91 Ca -0.00 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1zrr h LYS 91 Cb 0.36 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1zrr h LYS 91 CO 0.01 0.63 -0.55 1.97 -2.00 0.00 0.00 179.45 179.50 1zrr n PHE 92 N -4.61 0.41 0.28 0.07 1.16 -1.05 -4.11 117.46 109.61 1zrr n PHE 92 Ca -0.03 0.12 0.02 0.00 -1.87 0.00 0.00 57.45 55.70 1zrr n PHE 92 Cb 0.23 -0.57 0.11 0.00 -1.61 0.00 0.00 39.48 37.65 1zrr n PHE 92 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1zrr h LEU 93 N 0.00 0.00 -8.69 5.98 5.85 -1.21 -3.31 115.31 113.94 1zrr h LEU 93 Ca 0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 1zrr h LEU 93 Cb 0.68 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.52 1zrr h LEU 93 CO 0.00 0.00 -0.46 0.54 -0.34 0.00 0.00 178.44 178.18 1zrr s ASN 94 N -3.04 6.08 1.12 1.25 2.20 -1.26 -4.40 114.94 116.88 1zrr s ASN 94 Ca -0.00 -0.48 -0.17 0.00 -0.94 0.00 0.00 52.86 51.26 1zrr s ASN 94 Cb 0.01 -2.15 0.16 0.00 -2.00 0.00 0.00 41.25 37.27 1zrr s ASN 94 CO 0.04 -0.27 0.19 -1.84 -2.94 0.00 0.00 177.10 172.28 1zrr n GLU 95 N 5.13 -2.17 -1.24 3.55 -0.00 -1.25 -4.99 120.64 119.68 1zrr n GLU 95 Ca -0.12 -0.63 0.00 0.00 -0.00 0.00 0.00 57.16 56.41 1zrr n GLU 95 Cb 0.49 -1.64 0.00 0.00 -0.00 0.00 0.00 31.44 30.29 1zrr n GLU 95 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1zrr n HIS 96 N -4.57 -0.12 -3.64 -1.84 1.44 -1.12 -4.67 115.22 100.71 1zrr n HIS 96 Ca 0.04 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.67 1zrr n HIS 96 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 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 -2.18 0.00 0.16 0.61 -1.32 -1.24 -2.52 115.64 109.15 1zrr s THR 97 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 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 0.19 -1.00 -2.21 0.00 0.00 174.62 171.60 1zrr s HIS 98 N 0.82 3.27 -1.34 9.09 0.09 -1.26 -1.91 115.29 124.06 1zrr s HIS 98 Ca -0.03 0.03 0.27 0.00 -0.00 0.00 0.00 55.06 55.33 1zrr s HIS 98 Cb -0.05 -1.57 1.30 0.00 -0.00 0.00 0.00 32.58 32.26 1zrr s HIS 98 CO -0.10 0.52 1.90 0.41 -0.00 0.00 0.00 174.74 177.47 1zrr n GLY 99 N -0.40 -1.22 3.55 -2.22 0.00 -1.26 -1.76 105.19 101.89 1zrr n GLY 99 Ca -0.08 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1zrr n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrr s GLU 100 N -2.66 1.85 0.32 1.61 2.02 -1.26 -4.78 118.70 115.80 1zrr s GLU 100 Ca 0.23 -2.06 -0.28 0.00 0.02 0.00 0.00 54.97 52.88 1zrr s GLU 100 Cb 0.18 -1.25 -0.09 0.00 0.10 0.00 0.00 34.13 33.07 1zrr s GLU 100 CO 0.42 -0.16 1.09 -0.51 0.02 0.00 0.00 175.26 176.12 1zrr s ASP 101 N -3.63 7.09 -0.79 -0.19 -0.00 -1.26 -3.90 116.67 113.99 1zrr s ASP 101 Ca 0.33 2.22 -0.11 0.00 -0.00 0.00 0.00 52.55 54.98 1zrr s ASP 101 Cb 0.08 -2.62 0.21 0.00 -0.00 0.00 0.00 42.92 40.60 1zrr s ASP 101 CO 0.16 -0.27 0.70 -0.70 -0.00 0.00 0.00 175.17 175.06 1zrr s GLU 102 N -1.77 3.39 -0.08 8.23 2.12 -0.90 -4.95 118.70 124.75 1zrr s GLU 102 Ca 0.49 -2.50 -0.22 0.00 0.36 0.00 0.00 54.97 53.10 1zrr s GLU 102 Cb -0.29 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 1zrr s GLU 102 CO 0.37 -1.26 0.62 0.54 -0.54 0.00 0.00 175.26 174.99 1zrr s VAL 103 N 0.07 5.08 -0.10 3.70 0.11 -1.26 -2.82 120.40 125.18 1zrr s VAL 103 Ca 0.18 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 1zrr s VAL 103 Cb -0.12 -3.96 0.02 0.00 -1.53 0.00 0.00 36.38 30.79 1zrr s VAL 103 CO -0.08 0.29 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.77 1zrr s ARG 104 N 0.66 1.51 -0.17 1.54 0.52 -1.16 -4.59 118.95 117.25 1zrr s ARG 104 Ca 0.33 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.20 1zrr s ARG 104 Cb -0.17 -1.53 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 1zrr s ARG 104 CO 0.16 -0.22 0.10 0.12 0.02 0.00 0.00 175.30 175.48 1zrr s PHE 105 N 1.53 3.38 -0.09 -0.53 5.36 -1.15 -2.85 117.98 123.63 1zrr s PHE 105 Ca 0.02 0.28 -0.22 0.00 -0.96 0.00 0.00 56.93 56.05 1zrr s PHE 105 Cb -0.13 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 1zrr s PHE 105 CO -0.06 0.36 0.63 0.12 -1.46 0.00 0.00 175.22 174.81 1zrr s PHE 106 N -0.04 3.54 -0.08 10.12 5.99 -1.26 -0.68 117.98 135.57 1zrr s PHE 106 Ca 0.08 1.12 0.07 0.00 0.00 0.00 0.00 56.93 58.20 1zrr s PHE 106 Cb -0.12 -2.73 -0.09 0.00 0.00 0.00 0.00 43.02 40.08 1zrr s PHE 106 CO 0.00 0.09 0.02 0.28 -0.00 0.00 0.00 175.22 175.62 1zrr n VAL 107 N 3.81 0.53 -3.53 3.12 0.31 0.18 -4.52 118.33 118.23 1zrr n VAL 107 Ca -0.03 -0.32 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1zrr n VAL 107 Cb 0.51 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.19 0.71 0.16 5.55 2.56 0.55 -4.89 118.70 121.16 1zrr s GLU 108 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.97 54.71 1zrr s GLU 108 Cb 0.02 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.48 1zrr s GLU 108 CO 0.31 -0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.12 1zrr n GLY 109 N -0.09 -2.92 0.00 -1.50 0.00 -1.26 0.02 105.19 99.44 1zrr n GLY 109 Ca -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr n ALA 110 N -2.34 0.00 0.00 4.61 0.00 -1.26 -4.75 120.51 116.77 1zrr n ALA 110 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1zrr n ALA 110 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1zrr n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrr n GLY 111 N 5.00 -0.73 3.22 0.00 0.00 -1.26 -4.97 105.19 106.45 1zrr n GLY 111 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1zrr n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrr s LEU 112 N 0.00 1.49 -0.38 0.99 1.43 -1.26 -4.69 118.68 116.26 1zrr s LEU 112 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1zrr s LEU 112 Cb 0.00 0.82 0.14 0.00 0.03 0.00 0.00 46.19 47.18 1zrr s LEU 112 CO 0.00 -0.77 0.22 -0.36 0.23 0.00 0.00 176.35 175.68 1zrr s PHE 113 N -3.94 1.11 -0.51 0.29 0.40 -0.94 -4.83 117.98 109.56 1zrr s PHE 113 Ca 0.13 -1.88 -0.29 0.00 -0.60 0.00 0.00 56.93 54.29 1zrr s PHE 113 Cb 0.05 -1.20 0.03 0.00 0.51 0.00 0.00 43.02 42.41 1zrr s PHE 113 CO -0.04 -0.81 1.19 0.00 0.70 0.00 0.00 175.22 176.25 1zrr s LEU 115 N 4.75 3.28 -0.39 0.00 1.02 -0.19 -3.94 118.68 123.21 1zrr s LEU 115 Ca 0.48 -0.97 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 1zrr s LEU 115 Cb -0.08 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1zrr s LEU 115 CO 0.30 -0.15 0.24 -2.28 0.02 0.00 0.00 176.35 174.48 1zrr s HIS 116 N 1.29 3.25 -0.22 0.29 2.46 -1.04 -0.88 115.29 120.44 1zrr s HIS 116 Ca -0.01 -0.85 0.01 0.00 0.47 0.00 0.00 55.06 54.68 1zrr s HIS 116 Cb -0.17 -2.51 0.05 0.00 -0.13 0.00 0.00 32.58 29.82 1zrr s HIS 116 CO -0.04 -0.64 -0.07 0.42 -2.47 0.00 0.00 174.74 171.94 1zrr s ILE 117 N 1.60 1.52 0.00 0.89 1.01 -1.22 -3.63 121.20 121.38 1zrr s ILE 117 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1zrr s ILE 117 Cb -0.19 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1zrr s ILE 117 CO 0.08 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1zrr n GLY 118 N 4.69 0.64 3.23 6.18 0.00 -1.26 -3.89 105.19 114.79 1zrr n GLY 118 Ca -0.13 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1zrr n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zrr n ASP 119 N 2.37 5.18 -3.69 1.61 3.85 -1.26 -4.95 116.55 119.67 1zrr n ASP 119 Ca 0.00 -3.10 -0.05 0.00 -0.71 0.00 0.00 54.79 50.93 1zrr n ASP 119 Cb 0.00 -1.26 -0.02 0.00 -1.35 0.00 0.00 41.12 38.49 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1zrr s GLU 120 N -1.46 1.13 0.06 0.11 2.56 -1.25 -4.64 118.70 115.20 1zrr s GLU 120 Ca 0.30 -0.58 0.06 0.00 0.00 0.00 0.00 54.97 54.75 1zrr s GLU 120 Cb -0.08 0.41 -0.03 0.00 2.00 0.00 0.00 34.13 36.44 1zrr s GLU 120 CO -0.08 -0.51 -0.16 0.08 -0.56 0.00 0.00 175.26 174.03 1zrr s VAL 121 N -3.28 1.29 -0.07 3.70 1.01 -1.15 -3.38 120.40 118.52 1zrr s VAL 121 Ca 0.10 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1zrr s VAL 121 Cb -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1zrr s VAL 121 CO -0.01 -0.02 -0.19 -0.36 0.00 0.00 0.00 175.10 174.53 1zrr s PHE 122 N -0.97 2.03 -0.26 5.22 0.40 -0.06 -3.43 117.98 120.91 1zrr s PHE 122 Ca 0.03 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1zrr s PHE 122 Cb -0.09 -1.39 0.07 0.00 0.51 0.00 0.00 43.02 42.13 1zrr s PHE 122 CO 0.02 -0.31 -0.00 -0.65 0.70 0.00 0.00 175.22 174.98 1zrr s GLN 123 N 0.35 1.36 -0.14 0.44 -1.52 0.14 -1.02 119.66 119.28 1zrr s GLN 123 Ca -0.14 -1.10 -0.07 0.00 -1.95 0.00 0.00 55.36 52.11 1zrr s GLN 123 Cb -0.16 -2.53 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 1zrr s GLN 123 CO 0.06 -0.72 0.10 0.08 -0.25 0.00 0.00 175.29 174.55 1zrr s VAL 124 N 1.40 5.13 -0.37 1.09 1.01 -1.17 0.63 120.40 128.12 1zrr s VAL 124 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1zrr s VAL 124 Cb -0.18 -3.25 0.13 0.00 0.00 0.00 0.00 36.38 33.07 1zrr s VAL 124 CO -0.10 0.56 0.20 -0.22 0.00 0.00 0.00 175.10 175.54 1zrr s LEU 125 N -0.52 1.50 -0.28 3.92 0.20 -1.16 -2.21 118.68 120.13 1zrr s LEU 125 Ca 0.11 -2.19 -0.22 0.00 0.69 0.00 0.00 54.13 52.53 1zrr s LEU 125 Cb -0.12 -0.60 0.11 0.00 -0.43 0.00 0.00 46.19 45.16 1zrr s LEU 125 CO 0.02 -0.32 0.93 0.00 -0.29 0.00 0.00 176.35 176.69 1zrr s GLU 127 N 0.69 2.79 0.20 0.00 -6.30 -1.26 -4.91 118.70 109.91 1zrr s GLU 127 Ca -0.02 -2.23 0.09 0.00 -2.50 0.00 0.00 54.97 50.31 1zrr s GLU 127 Cb -0.05 -3.98 -0.04 0.00 0.00 0.00 0.00 34.13 30.06 1zrr s GLU 127 CO -0.09 -1.21 -0.09 0.15 0.02 0.00 0.00 175.26 174.04 1zrr s LYS 128 N 0.52 2.07 0.00 4.30 1.02 -1.26 -4.95 119.74 121.45 1zrr s LYS 128 Ca 0.13 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1zrr s LYS 128 Cb -0.20 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1zrr s LYS 128 CO -0.04 0.42 0.65 0.27 -0.92 0.00 0.00 175.35 175.73 1zrr n ASN 129 N -0.14 0.00 -4.79 2.83 0.23 -1.26 -4.56 115.26 107.58 1zrr n ASN 129 Ca -0.10 0.20 -0.34 0.00 -0.53 0.00 0.00 54.58 53.81 1zrr n ASN 129 Cb 0.56 -0.20 -0.01 0.00 -2.08 0.00 0.00 39.78 38.05 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1zrr s ASP 130 N -2.30 5.98 0.30 0.53 -4.77 -1.26 -4.02 116.67 111.13 1zrr s ASP 130 Ca 0.00 2.05 0.11 0.00 -3.30 0.00 0.00 52.55 51.41 1zrr s ASP 130 Cb 0.00 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.21 1zrr s ASP 130 CO 0.00 -1.03 -0.14 -1.48 0.70 0.00 0.00 175.17 173.22 1zrr s LEU 131 N -3.71 2.71 -0.06 2.11 0.05 -1.20 -4.08 118.68 114.50 1zrr s LEU 131 Ca 0.70 -1.03 0.00 0.00 0.05 0.00 0.00 54.13 53.85 1zrr s LEU 131 Cb -0.20 -1.15 0.02 0.00 -2.05 0.00 0.00 46.19 42.81 1zrr s LEU 131 CO 0.24 -0.04 -0.03 -0.51 -0.55 0.00 0.00 176.35 175.47 1zrr s ILE 132 N -2.52 0.47 -0.05 1.48 2.07 -1.13 -3.77 121.20 117.75 1zrr s ILE 132 Ca 0.31 -0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.59 1zrr s ILE 132 Cb -0.03 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1zrr s ILE 132 CO 0.16 0.24 -0.25 -0.55 -1.91 0.00 0.00 174.94 172.63 1zrr s SER 133 N 1.36 3.03 0.10 4.50 0.15 -1.25 -3.00 113.70 118.59 1zrr s SER 133 Ca -0.04 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1zrr s SER 133 Cb -0.13 -0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 63.35 1zrr s SER 133 CO -0.02 0.25 0.35 0.68 1.20 0.00 0.00 173.24 175.69 1zrr s VAL 134 N -0.21 5.20 0.68 4.45 -7.23 -1.13 -2.43 120.40 119.73 1zrr s VAL 134 Ca -0.02 0.11 -0.15 0.00 -1.81 0.00 0.00 61.98 60.11 1zrr s VAL 134 Cb -0.13 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1zrr s VAL 134 CO 0.03 0.16 1.13 -2.16 -0.31 0.00 0.00 175.10 173.95 1zrr s PRO 135 N -2.33 2.63 0.22 4.82 0.04 -1.26 -2.11 135.00 137.01 1zrr s PRO 135 Ca 0.36 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1zrr s PRO 135 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1zrr s PRO 135 CO 0.22 -1.40 1.21 0.00 0.04 0.00 0.00 177.00 177.07 1zrr s ALA 136 N -2.27 3.45 0.00 8.56 0.00 -1.25 -2.86 121.76 127.40 1zrr s ALA 136 Ca 0.68 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1zrr s ALA 136 Cb -0.22 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1zrr s ALA 136 CO 0.42 -0.39 0.00 1.58 0.00 0.00 0.00 175.76 177.38 1zrr n HIS 137 N 2.11 0.00 -3.97 0.00 -0.00 -0.73 -4.93 115.22 107.71 1zrr n HIS 137 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 1zrr n HIS 137 Cb 0.44 -0.02 -0.11 0.00 -0.00 0.00 0.00 29.99 30.30 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 -2.00 4.56 0.19 3.57 2.01 -1.13 -5.01 115.64 117.83 1zrr s THR 138 Ca 0.00 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1zrr s THR 138 Cb 0.00 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 1zrr s THR 138 CO 0.00 0.42 1.54 -2.16 -0.69 0.00 0.00 174.62 173.73 1zrr s PRO 139 N 0.79 4.22 0.09 4.92 0.04 -1.24 -4.63 135.00 139.20 1zrr s PRO 139 Ca 0.03 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 1zrr s PRO 139 Cb -0.14 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.35 1zrr s PRO 139 CO 0.02 -0.56 0.99 -3.38 0.04 0.00 0.00 177.00 174.11 1zrr s HIS 140 N 0.77 -0.16 0.00 0.56 -3.43 -1.05 -2.50 115.29 109.49 1zrr s HIS 140 Ca 0.67 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1zrr s HIS 140 Cb -0.44 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1zrr s HIS 140 CO 0.35 -0.69 0.00 -2.67 -2.00 0.00 0.00 174.74 169.73 1zrr n TRP 141 N -0.42 0.00 -3.38 0.38 2.14 -1.25 -2.77 117.44 112.13 1zrr n TRP 141 Ca -0.07 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.52 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 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 1.07 -0.32 -0.01 -2.67 5.36 -1.26 -4.77 117.98 115.37 1zrr s PHE 142 Ca 0.00 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1zrr s PHE 142 Cb 0.00 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.89 1zrr s PHE 142 CO 0.00 -0.16 0.01 -0.51 -1.46 0.00 0.00 175.22 173.10 1zrr s ASP 143 N 1.92 0.15 -0.17 6.13 -0.00 -1.26 -4.79 116.67 118.64 1zrr s ASP 143 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 52.55 52.69 1zrr s ASP 143 Cb -0.03 -0.07 0.47 0.00 -0.00 0.00 0.00 42.92 43.29 1zrr s ASP 143 CO -0.15 -0.07 1.36 0.23 -0.00 0.00 0.00 175.17 176.54 1zrr n MET 144 N 3.72 2.44 0.00 8.23 2.81 -1.26 -4.49 117.12 128.56 1zrr n MET 144 Ca -0.21 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 52.87 1zrr n MET 144 Cb 0.54 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 -0.78 0.00 3.62 3.03 0.00 -1.26 -2.93 105.19 106.87 1zrr n GLY 145 Ca 0.21 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 6.65 -0.32 1.61 1.04 -1.26 -4.85 113.70 116.58 1zrr s SER 146 Ca 0.00 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.12 1zrr s SER 146 Cb 0.00 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1zrr s SER 146 CO 0.00 -0.49 0.04 -0.70 0.98 0.00 0.00 173.24 173.07 1zrr s GLU 147 N 2.73 2.49 -0.25 4.02 2.12 -1.15 -4.94 118.70 123.71 1zrr s GLU 147 Ca 0.30 -1.25 0.14 0.00 0.36 0.00 0.00 54.97 54.51 1zrr s GLU 147 Cb -0.15 -3.29 0.82 0.00 0.26 0.00 0.00 34.13 31.77 1zrr s GLU 147 CO 0.10 -0.65 1.76 -0.35 -0.54 0.00 0.00 175.26 175.58 1zrr n PRO 148 N 4.69 4.82 -0.72 4.30 -0.04 -1.26 -4.50 135.00 142.29 1zrr n PRO 148 Ca -0.13 -3.17 0.00 0.00 -0.04 0.00 0.00 63.50 60.16 1zrr n PRO 148 Cb 0.44 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1zrr n PRO 148 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1zrr n ASN 149 N 0.55 -0.96 -4.94 3.54 2.04 -1.26 -4.25 115.26 109.98 1zrr n ASN 149 Ca 0.29 0.00 -0.24 0.00 -0.44 0.00 0.00 54.58 54.19 1zrr n ASN 149 Cb 1.23 -0.46 0.04 0.00 -2.53 0.00 0.00 39.78 38.05 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 1zrr s PHE 150 N -2.48 3.05 -0.11 -2.53 -0.71 -1.26 -4.72 117.98 109.22 1zrr s PHE 150 Ca 0.00 0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 56.22 1zrr s PHE 150 Cb 0.00 -2.78 0.03 0.00 -1.21 0.00 0.00 43.02 39.06 1zrr s PHE 150 CO 0.00 -0.90 -0.04 0.99 -1.34 0.00 0.00 175.22 173.92 1zrr s THR 151 N -2.91 0.83 0.13 -4.49 2.01 0.10 -3.98 115.64 107.32 1zrr s THR 151 Ca 0.55 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.25 1zrr s THR 151 Cb -0.10 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1zrr s THR 151 CO 0.42 0.27 0.18 0.00 -0.69 0.00 0.00 174.62 174.79 1zrr s ALA 152 N 1.78 0.23 -0.14 7.40 0.00 -0.58 0.49 121.76 130.94 1zrr s ALA 152 Ca 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1zrr s ALA 152 Cb -0.13 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1zrr s ALA 152 CO -0.07 -0.55 -0.07 0.42 0.00 0.00 0.00 175.76 175.49 1zrr s ILE 153 N -3.96 3.60 0.14 0.00 1.01 0.14 -0.88 121.20 121.26 1zrr s ILE 153 Ca 0.16 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1zrr s ILE 153 Cb 0.05 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1zrr s ILE 153 CO -0.03 0.52 -0.07 -0.13 0.00 0.00 0.00 174.94 175.23 1zrr s ARG 154 N 0.21 1.01 0.01 2.79 1.81 -1.04 -2.93 118.95 120.82 1zrr s ARG 154 Ca -0.04 -1.44 -0.00 0.00 -1.72 0.00 0.00 55.73 52.52 1zrr s ARG 154 Cb -0.14 -0.42 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 1zrr s ARG 154 CO 0.04 -0.00 0.09 0.42 -0.68 0.00 0.00 175.30 175.17 1zrr s ILE 155 N -3.49 4.77 -0.28 1.52 -1.09 -1.26 -2.80 121.20 118.58 1zrr s ILE 155 Ca 0.17 -0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 58.01 1zrr s ILE 155 Cb 0.04 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1zrr s ILE 155 CO -0.00 0.31 0.36 -0.36 -1.23 0.00 0.00 174.94 174.03 1zrr s PHE 156 N -1.24 3.24 0.12 3.97 2.99 0.24 -4.91 117.98 122.39 1zrr s PHE 156 Ca 0.24 0.37 0.02 0.00 0.00 0.00 0.00 56.93 57.56 1zrr s PHE 156 Cb -0.12 -2.57 -0.04 0.00 0.00 0.00 0.00 43.02 40.28 1zrr s PHE 156 CO 0.16 -0.24 -0.06 0.34 -0.00 0.00 0.00 175.22 175.41 1zrr s ASP 157 N 1.65 1.31 0.33 1.36 2.15 -1.26 -2.22 116.67 119.99 1zrr s ASP 157 Ca 0.14 -1.04 0.02 0.00 0.43 0.00 0.00 52.55 52.11 1zrr s ASP 157 Cb -0.16 0.07 -0.03 0.00 -0.30 0.00 0.00 42.92 42.51 1zrr s ASP 157 CO 0.10 -0.45 0.51 0.20 -0.17 0.00 0.00 175.17 175.35 1zrr s ASN 158 N -3.10 6.22 -0.00 -0.34 0.02 -1.26 -5.04 114.94 111.44 1zrr s ASN 158 Ca 0.15 0.27 -0.24 0.00 -1.02 0.00 0.00 52.86 52.02 1zrr s ASN 158 Cb 0.05 -1.86 -0.17 0.00 0.02 0.00 0.00 41.25 39.30 1zrr s ASN 158 CO -0.02 -0.30 1.19 1.55 0.02 0.00 0.00 177.10 179.55 1zrr h PRO 159 N 0.83 -0.32 -0.04 -0.60 0.13 -2.01 -2.91 132.00 127.09 1zrr h PRO 159 Ca -0.50 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1zrr h PRO 159 Cb 1.23 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1zrr h PRO 159 CO 0.60 0.02 0.86 0.93 -0.23 0.00 0.00 178.00 180.18 1zrr h GLU 160 N -0.73 0.00 0.10 0.86 5.08 -2.00 2.62 114.58 120.51 1zrr h GLU 160 Ca -0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1zrr h GLU 160 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1zrr h GLU 160 CO 0.06 0.00 -1.82 0.78 -1.00 0.00 0.00 179.01 177.02 1zrr h GLY 161 N 0.00 0.23 -2.53 -3.84 0.00 -1.93 -3.47 103.07 91.54 1zrr h GLY 161 Ca 0.02 -0.60 -0.45 0.00 0.00 0.00 0.00 47.33 46.31 1zrr h GLY 161 CO -0.00 0.52 -0.23 -0.98 0.00 0.00 0.00 176.54 175.85 1zrr s TRP 162 N -2.58 3.14 0.14 5.60 0.52 0.88 -4.14 118.94 122.50 1zrr s TRP 162 Ca -0.15 -0.04 0.01 0.00 0.02 0.00 0.00 56.10 55.94 1zrr s TRP 162 Cb 0.07 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1zrr s TRP 162 CO 0.80 -0.20 0.29 0.42 0.02 0.00 0.00 176.95 178.29 1zrr s ILE 163 N -2.35 5.31 0.00 2.03 -1.09 -0.80 -4.83 121.20 119.46 1zrr s ILE 163 Ca 0.47 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1zrr s ILE 163 Cb -0.10 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1zrr s ILE 163 CO 0.34 -0.05 0.00 0.00 -1.23 0.00 0.00 174.94 174.00 1zrr n ALA 164 N -0.35 0.00 -2.72 9.38 0.00 -1.26 -3.85 120.51 121.71 1zrr n ALA 164 Ca -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1zrr n ALA 164 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1zrr n ALA 164 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1zrr s GLN 165 N -0.78 0.45 -0.22 0.00 -2.07 -1.26 -3.73 119.66 112.06 1zrr s GLN 165 Ca 0.00 -0.77 -0.01 0.00 -1.82 0.00 0.00 55.36 52.76 1zrr s GLN 165 Cb 0.00 0.16 -0.13 0.00 -1.09 0.00 0.00 33.01 31.95 1zrr s GLN 165 CO 0.00 -0.09 -0.21 0.34 -1.32 0.00 0.00 175.29 174.01 1zrr n PHE 166 N 1.06 0.00 -0.07 9.60 -0.00 -1.26 -4.73 117.46 122.06 1zrr n PHE 166 Ca -0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.17 1zrr n PHE 166 Cb 0.57 -0.83 -0.10 0.00 -0.00 0.00 0.00 39.48 39.11 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 -3.28 0.94 -0.01 -2.13 -2.24 -1.26 -5.01 114.28 101.29 1zrr n THR 167 Ca -0.40 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1zrr n THR 167 Cb 0.89 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 2.23 0.29 3.81 3.38 0.00 -1.26 -5.06 105.19 108.58 1zrr n GLY 168 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.31 7.04 -0.71 1.61 -0.00 -1.26 -5.02 116.67 116.01 1zrr s ASP 169 Ca 0.00 1.68 -0.03 0.00 -0.00 0.00 0.00 52.55 54.19 1zrr s ASP 169 Cb 0.00 -2.53 0.18 0.00 -0.00 0.00 0.00 42.92 40.57 1zrr s ASP 169 CO 0.00 -0.25 0.55 1.51 -0.00 0.00 0.00 175.17 176.98 1zrr s ASP 170 N -2.01 5.53 0.33 0.27 3.84 -1.26 -4.65 116.67 118.72 1zrr s ASP 170 Ca 0.57 -3.07 0.25 0.00 -0.00 0.00 0.00 52.55 50.31 1zrr s ASP 170 Cb -0.12 -1.90 0.69 0.00 -1.38 0.00 0.00 42.92 40.22 1zrr s ASP 170 CO 0.17 -0.34 1.73 -0.29 -0.00 0.00 0.00 175.17 176.44 1zrr h ILE 171 N 4.92 0.00 -0.86 2.11 2.10 -1.95 -3.18 117.51 120.64 1zrr h ILE 171 Ca 0.04 -0.65 -0.02 0.00 1.08 0.00 0.00 64.86 65.31 1zrr h ILE 171 Cb 0.92 1.63 -0.04 0.00 -1.09 0.00 0.00 36.82 38.24 1zrr h ILE 171 CO 0.75 0.00 0.47 0.00 -1.08 0.00 0.00 178.15 178.28 1zrr h ALA 172 N 2.27 1.11 0.00 0.18 0.00 -1.89 -1.31 119.26 119.62 1zrr h ALA 172 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zrr h ALA 172 Cb 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1zrr h ALA 172 CO 0.00 0.62 0.05 -1.13 0.00 0.00 0.00 179.25 178.79 1zrr n SER 173 N -4.36 0.00 0.15 0.00 3.41 -1.20 -1.15 113.62 110.47 1zrr n SER 173 Ca 0.09 0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.56 1zrr n SER 173 Cb 0.10 -0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.34 -0.16 -0.33 7.33 0.00 -1.46 -3.36 119.26 122.62 1zrr h ALA 174 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.91 53.94 1zrr h ALA 174 Cb 0.11 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1zrr h ALA 174 CO 0.00 0.70 -0.00 0.66 0.00 0.00 0.00 179.25 180.61 1zrr n TYR 175 N -3.71 1.10 0.31 0.00 4.01 -0.30 -4.78 117.16 113.78 1zrr n TYR 175 Ca -0.17 -1.25 0.19 0.00 -0.16 0.00 0.00 57.90 56.51 1zrr n TYR 175 Cb 1.11 -0.42 0.92 0.00 -0.31 0.00 0.00 39.34 40.64 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1zrr h PRO 176 N 1.37 0.00 -5.74 -0.72 0.13 -1.70 -3.42 132.00 121.93 1zrr h PRO 176 Ca 0.13 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.68 1zrr h PRO 176 Cb 1.61 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.65 1zrr h PRO 176 CO 0.34 0.00 0.08 0.50 -0.23 0.00 0.00 178.00 178.69 1zrr s ARG 177 N -3.87 4.27 -0.27 0.86 3.52 -1.26 -4.26 118.95 117.94 1zrr s ARG 177 Ca -0.02 0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 56.01 1zrr s ARG 177 Cb 0.11 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1zrr s ARG 177 CO 0.47 -0.13 0.69 -1.17 -0.81 0.00 0.00 175.30 174.35 1zrr s LEU 178 N 1.53 4.09 0.00 -0.88 2.96 -1.26 -4.90 118.68 120.21 1zrr s LEU 178 Ca 0.30 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1zrr s LEU 178 Cb -0.16 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1zrr s LEU 178 CO 0.12 -0.46 0.00 0.00 -1.32 0.00 0.00 176.35 174.68