#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 -1.16 -3.14 121.76 128.82 1zrr s ALA 2 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 51.96 50.23 1zrr s ALA 2 Cb 0.00 -1.75 0.16 0.00 0.00 0.00 0.00 23.12 21.53 1zrr s ALA 2 CO 0.00 -0.64 0.59 -1.17 0.00 0.00 0.00 175.76 174.53 1zrr s LEU 3 N -4.60 -1.19 -0.18 0.00 2.96 -0.83 -2.85 118.68 111.98 1zrr s LEU 3 Ca 0.58 1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 55.50 1zrr s LEU 3 Cb -0.09 2.07 -0.03 0.00 0.50 0.00 0.00 46.19 48.64 1zrr s LEU 3 CO 0.37 -0.25 0.02 -0.89 -1.32 0.00 0.00 176.35 174.28 1zrr s THR 4 N 2.83 4.34 -0.09 3.68 2.01 0.43 -3.31 115.64 125.54 1zrr s THR 4 Ca 0.10 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1zrr s THR 4 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1zrr s THR 4 CO -0.19 0.46 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.36 1zrr s ILE 5 N 0.54 1.79 0.27 1.82 1.01 -1.08 0.85 121.20 126.39 1zrr s ILE 5 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1zrr s ILE 5 Cb -0.13 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 1zrr s ILE 5 CO 0.02 0.50 0.01 -0.36 0.00 0.00 0.00 174.94 175.11 1zrr s PHE 6 N 0.39 1.73 0.69 3.97 0.40 -1.18 -2.96 117.98 121.03 1zrr s PHE 6 Ca -0.16 -0.92 -0.03 0.00 -0.60 0.00 0.00 56.93 55.22 1zrr s PHE 6 Cb -0.17 -1.04 0.09 0.00 0.51 0.00 0.00 43.02 42.41 1zrr s PHE 6 CO 0.07 0.00 0.96 -1.12 0.70 0.00 0.00 175.22 175.83 1zrr s SER 7 N -3.38 4.63 0.01 1.36 0.01 -1.24 -3.12 113.70 111.99 1zrr s SER 7 Ca 0.32 -0.02 0.14 0.00 1.31 0.00 0.00 55.95 57.69 1zrr s SER 7 Cb 0.06 -0.55 -0.18 0.00 0.21 0.00 0.00 66.02 65.56 1zrr s SER 7 CO 0.11 -1.66 0.78 -0.37 0.41 0.00 0.00 173.24 172.52 1zrr h VAL 8 N -0.45 0.76 -0.23 3.43 -1.51 -1.92 -3.37 116.25 112.96 1zrr h VAL 8 Ca -0.41 -2.46 -0.20 0.00 -1.23 0.00 0.00 66.70 62.41 1zrr h VAL 8 Cb 1.28 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1zrr h VAL 8 CO 0.48 0.43 -0.64 0.50 -1.23 0.00 0.00 177.57 177.12 1zrr h LYS 9 N 0.00 0.82 -3.54 5.19 3.64 -1.98 -3.43 116.57 117.26 1zrr h LYS 9 Ca -0.22 -0.58 -0.36 0.00 -1.27 0.00 0.00 60.65 58.23 1zrr h LYS 9 Cb 1.82 0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 33.37 1zrr h LYS 9 CO 0.07 1.20 -0.75 0.16 -2.27 0.00 0.00 179.45 177.86 1zrr s ASP 10 N -7.01 0.83 0.08 4.20 3.84 -1.26 -5.03 116.67 112.32 1zrr s ASP 10 Ca -0.10 0.01 0.05 0.00 -0.00 0.00 0.00 52.55 52.51 1zrr s ASP 10 Cb 0.10 -0.21 -0.23 0.00 -1.38 0.00 0.00 42.92 41.19 1zrr s ASP 10 CO 0.89 -0.17 1.12 1.55 -0.00 0.00 0.00 175.17 178.56 1zrr h PRO 11 N 7.87 0.08 0.00 2.11 0.13 -1.85 -3.27 132.00 137.07 1zrr h PRO 11 Ca -0.28 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1zrr h PRO 11 Cb 1.13 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1zrr h PRO 11 CO 0.32 0.98 0.00 0.00 -0.23 0.00 0.00 178.00 179.07 1zrr n GLN 12 N -3.35 0.49 -4.10 0.86 10.64 -1.26 -4.48 117.38 116.19 1zrr n GLN 12 Ca -0.06 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.78 1zrr n GLN 12 Cb 0.98 -1.45 -0.16 0.00 -0.86 0.00 0.00 30.24 28.76 1zrr n GLN 12 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1zrr s ASN 13 N -1.95 3.38 -0.20 2.61 2.47 -1.23 -5.10 114.94 114.93 1zrr s ASN 13 Ca 0.21 -0.72 -0.13 0.00 0.42 0.00 0.00 52.86 52.64 1zrr s ASN 13 Cb 0.10 -1.51 -0.04 0.00 -1.45 0.00 0.00 41.25 38.34 1zrr s ASN 13 CO 0.16 -0.03 0.28 -0.94 -3.72 0.00 0.00 177.10 172.86 1zrr s SER 14 N 1.28 6.34 0.07 -4.21 1.04 -1.26 -3.67 113.70 113.29 1zrr s SER 14 Ca 0.03 0.39 0.24 0.00 0.48 0.00 0.00 55.95 57.09 1zrr s SER 14 Cb -0.14 -2.17 0.33 0.00 0.10 0.00 0.00 66.02 64.14 1zrr s SER 14 CO -0.11 0.04 1.29 0.00 0.98 0.00 0.00 173.24 175.43 1zrr n LEU 15 N 4.06 0.62 -3.18 2.42 -0.00 -1.15 -4.76 117.00 115.01 1zrr n LEU 15 Ca -0.12 0.12 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1zrr n LEU 15 Cb 0.52 -0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 1zrr n LEU 15 CO 0.38 0.01 0.11 0.86 -0.00 0.00 0.00 177.39 178.76 1zrr s TRP 16 N -3.13 -1.57 -0.18 1.47 -0.00 -1.23 -5.08 118.94 109.23 1zrr s TRP 16 Ca 0.07 1.39 0.01 0.00 -0.00 0.00 0.00 56.10 57.57 1zrr s TRP 16 Cb 0.15 0.41 0.02 0.00 -0.00 0.00 0.00 33.47 34.05 1zrr s TRP 16 CO 0.73 -0.93 -0.20 -1.58 -0.00 0.00 0.00 176.95 174.98 1zrr s HIS 17 N 2.80 2.76 0.19 5.86 5.65 -1.26 -2.62 115.29 128.67 1zrr s HIS 17 Ca 0.17 -1.64 -0.23 0.00 0.25 0.00 0.00 55.06 53.61 1zrr s HIS 17 Cb -0.14 -1.91 0.05 0.00 -1.18 0.00 0.00 32.58 29.41 1zrr s HIS 17 CO -0.22 -0.81 0.73 -1.12 -0.65 0.00 0.00 174.74 172.67 1zrr s SER 18 N 1.30 -0.37 -0.44 9.88 0.01 -1.21 -5.07 113.70 117.80 1zrr s SER 18 Ca 0.05 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1zrr s SER 18 Cb -0.13 0.62 0.14 0.00 0.21 0.00 0.00 66.02 66.85 1zrr s SER 18 CO -0.13 -1.08 0.24 0.28 0.41 0.00 0.00 173.24 172.96 1zrr s THR 19 N -3.69 1.36 -0.03 1.44 -1.32 -1.26 -1.97 115.64 110.16 1zrr s THR 19 Ca 0.07 -2.54 0.05 0.00 -1.21 0.00 0.00 61.69 58.06 1zrr s THR 19 Cb -0.03 -1.95 -0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1zrr s THR 19 CO -0.02 -0.91 -0.19 0.20 -2.21 0.00 0.00 174.62 171.49 1zrr s ASN 20 N 0.35 2.28 0.05 8.08 0.02 -1.19 -4.73 114.94 119.80 1zrr s ASN 20 Ca 0.18 -0.36 -0.03 0.00 -1.02 0.00 0.00 52.86 51.62 1zrr s ASN 20 Cb -0.23 -0.47 -0.28 0.00 0.02 0.00 0.00 41.25 40.29 1zrr s ASN 20 CO -0.00 0.20 1.03 0.00 0.02 0.00 0.00 177.10 178.34 1zrr h ALA 21 N 5.98 0.18 0.00 0.60 0.00 -1.98 -2.85 119.26 121.19 1zrr h ALA 21 Ca -0.35 -0.98 -0.06 0.00 0.00 0.00 0.00 54.91 53.52 1zrr h ALA 21 Cb 1.16 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1zrr h ALA 21 CO 0.48 1.05 -0.35 0.93 0.00 0.00 0.00 179.25 181.36 1zrr h GLU 22 N 0.07 0.00 0.00 0.00 3.07 -1.98 -3.13 114.58 112.61 1zrr h GLU 22 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1zrr h GLU 22 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1zrr h GLU 22 CO 0.18 0.89 0.00 1.49 -1.40 0.00 0.00 179.01 180.17 1zrr h GLU 23 N -1.00 0.00 0.31 2.33 4.81 -1.98 -0.33 114.58 118.71 1zrr h GLU 23 Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1zrr h GLU 23 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1zrr h GLU 23 CO -0.06 0.00 -0.15 0.82 -0.73 0.00 0.00 179.01 178.90 1zrr h ILE 24 N 0.00 0.24 -0.51 2.32 2.04 -1.55 0.15 117.51 120.20 1zrr h ILE 24 Ca 0.00 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1zrr h ILE 24 Cb 0.05 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1zrr h ILE 24 CO 0.00 0.06 0.27 -0.61 0.00 0.00 0.00 178.15 177.88 1zrr h GLN 25 N -1.05 0.52 -0.50 2.37 -0.00 -1.35 1.82 115.11 116.92 1zrr h GLN 25 Ca -0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1zrr h GLN 25 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1zrr h GLN 25 CO 0.07 0.34 0.24 0.37 0.00 0.00 0.00 178.83 179.85 1zrr h GLN 26 N 0.53 0.72 0.07 1.69 4.15 -1.15 0.60 115.11 121.73 1zrr h GLN 26 Ca 0.22 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 1zrr h GLN 26 Cb 0.10 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.67 1zrr h GLN 26 CO -0.14 0.60 -0.51 1.96 -1.93 0.00 0.00 178.83 178.81 1zrr h GLN 27 N 0.66 0.22 0.60 1.69 4.20 -0.38 -2.03 115.11 120.07 1zrr h GLN 27 Ca 0.17 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1zrr h GLN 27 Cb 0.12 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1zrr h GLN 27 CO -0.02 1.12 -0.29 1.25 -0.67 0.00 0.00 178.83 180.22 1zrr h LEU 28 N -0.52 -0.68 -2.63 1.46 5.85 0.28 -2.58 115.31 116.49 1zrr h LEU 28 Ca -0.08 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1zrr h LEU 28 Cb 1.36 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1zrr h LEU 28 CO 0.10 -0.32 0.00 -1.13 -0.34 0.00 0.00 178.44 176.75 1zrr h ASN 29 N -1.10 0.00 0.35 1.25 -0.73 0.11 0.18 115.58 115.64 1zrr h ASN 29 Ca -0.08 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.06 1zrr h ASN 29 Cb 0.67 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 1zrr h ASN 29 CO 0.14 0.00 -0.11 0.00 -0.37 0.00 0.00 177.43 177.08 1zrr h ALA 30 N 2.00 1.30 -0.30 1.57 0.00 -0.94 0.13 119.26 123.02 1zrr h ALA 30 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1zrr h ALA 30 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zrr h ALA 30 CO 0.00 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.02 1zrr n LYS 31 N -3.67 2.11 -0.65 0.00 4.76 0.63 -4.83 118.16 116.52 1zrr n LYS 31 Ca -0.02 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1zrr n LYS 31 Cb 0.23 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 0.73 0.68 3.86 0.72 0.00 0.03 -5.05 105.19 106.16 1zrr n GLY 32 Ca 0.11 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 5.06 0.48 1.61 1.01 -1.19 -4.80 120.40 120.57 1zrr s VAL 33 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 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 0.33 0.87 -0.60 0.00 0.00 0.00 175.10 175.69 1zrr s ARG 34 N -1.79 3.77 -0.08 2.72 3.52 -1.25 -4.08 118.95 121.76 1zrr s ARG 34 Ca 0.32 0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 56.33 1zrr s ARG 34 Cb -0.14 -2.27 0.04 0.00 -1.56 0.00 0.00 34.95 31.02 1zrr s ARG 34 CO 0.17 -0.20 0.46 0.12 -0.81 0.00 0.00 175.30 175.05 1zrr s PHE 35 N -2.61 -0.42 0.01 5.12 5.36 -1.26 -4.10 117.98 120.08 1zrr s PHE 35 Ca 0.53 0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 57.04 1zrr s PHE 35 Cb -0.10 0.21 0.10 0.00 -0.34 0.00 0.00 43.02 42.89 1zrr s PHE 35 CO 0.36 -0.41 1.26 -1.83 -1.46 0.00 0.00 175.22 173.14 1zrr s GLU 36 N -0.80 0.49 -0.14 10.12 -1.05 -1.25 -4.98 118.70 121.09 1zrr s GLU 36 Ca -0.09 -0.30 -0.06 0.00 -0.15 0.00 0.00 54.97 54.37 1zrr s GLU 36 Cb -0.03 0.15 0.07 0.00 -0.44 0.00 0.00 34.13 33.87 1zrr s GLU 36 CO 0.05 -0.23 0.31 1.03 0.95 0.00 0.00 175.26 177.36 1zrr s ARG 37 N -2.24 0.21 0.16 -4.83 0.52 -1.26 -3.30 118.95 108.21 1zrr s ARG 37 Ca 0.22 0.79 0.08 0.00 -0.52 0.00 0.00 55.73 56.30 1zrr s ARG 37 Cb 0.02 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 1zrr s ARG 37 CO -0.01 -0.25 -0.05 -1.58 0.02 0.00 0.00 175.30 173.42 1zrr s TRP 38 N 2.25 2.76 0.02 -0.53 0.51 -1.25 -4.96 118.94 117.74 1zrr s TRP 38 Ca -0.02 -0.16 0.00 0.00 -2.12 0.00 0.00 56.10 53.81 1zrr s TRP 38 Cb -0.12 -1.36 -0.01 0.00 -0.81 0.00 0.00 33.47 31.17 1zrr s TRP 38 CO -0.10 0.50 -0.03 -1.14 -0.51 0.00 0.00 176.95 175.67 1zrr s GLN 39 N -2.76 0.26 0.24 4.98 0.74 -1.26 -4.73 119.66 117.13 1zrr s GLN 39 Ca 0.26 -0.43 0.06 0.00 0.05 0.00 0.00 55.36 55.29 1zrr s GLN 39 Cb -0.09 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 1zrr s GLN 39 CO 0.17 -0.01 0.31 0.00 -0.55 0.00 0.00 175.29 175.20 1zrr s ALA 40 N -0.96 3.82 -0.37 1.58 0.00 -1.26 -5.01 121.76 119.57 1zrr s ALA 40 Ca -0.10 -1.29 0.22 0.00 0.00 0.00 0.00 51.96 50.80 1zrr s ALA 40 Cb -0.07 -1.59 -0.14 0.00 0.00 0.00 0.00 23.12 21.32 1zrr s ALA 40 CO -0.00 0.25 0.81 -0.25 0.00 0.00 0.00 175.76 176.56 1zrr n ASP 41 N -1.33 0.47 -4.88 0.00 10.43 -1.26 -4.88 116.55 115.10 1zrr n ASP 41 Ca -0.09 -0.12 -0.33 0.00 2.57 0.00 0.00 54.79 56.82 1zrr n ASP 41 Cb 0.57 1.21 -0.05 0.00 1.84 0.00 0.00 41.12 44.69 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 -3.33 3.76 -0.02 -1.24 0.52 -1.26 -5.07 118.95 112.32 1zrr s ARG 42 Ca -0.01 0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.20 1zrr s ARG 42 Cb 0.14 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.71 1zrr s ARG 42 CO 0.85 0.45 0.47 -0.51 0.02 0.00 0.00 175.30 176.57 1zrr s ASP 43 N -2.13 6.84 0.45 0.23 -0.00 -1.26 -5.07 116.67 115.73 1zrr s ASP 43 Ca 0.40 0.99 -0.01 0.00 -0.00 0.00 0.00 52.55 53.94 1zrr s ASP 43 Cb -0.13 -2.29 -0.01 0.00 -0.00 0.00 0.00 42.92 40.50 1zrr s ASP 43 CO 0.21 0.22 0.68 -0.76 -0.00 0.00 0.00 175.17 175.53 1zrr s LEU 44 N -0.60 3.65 0.00 1.23 2.01 -1.26 -5.05 118.68 118.66 1zrr s LEU 44 Ca 0.26 0.39 0.00 0.00 0.01 0.00 0.00 54.13 54.78 1zrr s LEU 44 Cb -0.17 -3.26 0.00 0.00 0.01 0.00 0.00 46.19 42.77 1zrr s LEU 44 CO 0.14 -0.68 0.00 0.61 1.01 0.00 0.00 176.35 177.43 1zrr n GLY 45 N -2.10 1.67 3.56 -3.19 0.00 -1.26 -5.04 105.19 98.83 1zrr n GLY 45 Ca 0.01 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.09 2.62 -0.58 4.61 0.00 -1.26 -4.90 121.76 121.16 1zrr s ALA 46 Ca 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 51.96 49.71 1zrr s ALA 46 Cb 0.00 -4.55 0.15 0.00 0.00 0.00 0.00 23.12 18.73 1zrr s ALA 46 CO 0.00 -3.76 0.40 0.00 0.00 0.00 0.00 175.76 172.39 1zrr s ALA 47 N 5.62 3.50 0.09 0.00 0.00 -1.26 -4.91 121.76 124.81 1zrr s ALA 47 Ca 0.50 -3.11 0.18 0.00 0.00 0.00 0.00 51.96 49.52 1zrr s ALA 47 Cb -0.00 -2.62 0.53 0.00 0.00 0.00 0.00 23.12 21.03 1zrr s ALA 47 CO -0.07 -2.04 1.66 -1.00 0.00 0.00 0.00 175.76 174.31 1zrr h PRO 48 N 7.24 0.00 -6.63 0.00 0.13 -2.05 -3.44 132.00 127.25 1zrr h PRO 48 Ca -0.04 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.39 1zrr h PRO 48 Cb 0.97 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.82 1zrr h PRO 48 CO 0.71 0.42 -0.88 0.95 -0.23 0.00 0.00 178.00 178.97 1zrr s THR 49 N -3.44 2.14 -0.04 1.56 -4.23 -1.26 -5.02 115.64 105.36 1zrr s THR 49 Ca 0.01 -1.17 0.12 0.00 -1.18 0.00 0.00 61.69 59.47 1zrr s THR 49 Cb 0.10 -1.77 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 1zrr s THR 49 CO 0.70 0.52 1.33 0.00 -0.54 0.00 0.00 174.62 176.63 1zrr h ALA 50 N 5.27 0.54 -1.07 3.99 0.00 -2.00 -3.30 119.26 122.71 1zrr h ALA 50 Ca -0.44 -0.68 0.36 0.00 0.00 0.00 0.00 54.91 54.14 1zrr h ALA 50 Cb 1.13 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1zrr h ALA 50 CO 0.46 0.91 0.63 0.93 0.00 0.00 0.00 179.25 182.18 1zrr h GLU 51 N 0.00 0.23 0.07 0.00 5.08 -1.99 1.59 114.58 119.56 1zrr h GLU 51 Ca -0.02 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 1zrr h GLU 51 Cb 1.57 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1zrr h GLU 51 CO 0.09 0.15 -1.13 1.79 -1.00 0.00 0.00 179.01 178.92 1zrr h THR 52 N 0.23 1.59 0.14 1.13 1.35 -2.00 -2.94 112.91 112.42 1zrr h THR 52 Ca 0.76 -3.20 -0.01 0.00 -0.55 0.00 0.00 66.41 63.42 1zrr h THR 52 Cb 1.93 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 71.23 1zrr h THR 52 CO -0.57 0.92 -0.07 0.58 -0.25 0.00 0.00 175.52 176.13 1zrr h VAL 53 N 0.05 1.01 -0.08 6.82 2.07 0.19 -2.82 116.25 123.49 1zrr h VAL 53 Ca -0.08 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1zrr h VAL 53 Cb 1.87 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1zrr h VAL 53 CO 0.17 0.18 0.01 0.16 0.02 0.00 0.00 177.57 178.11 1zrr h ILE 54 N -0.57 1.05 -0.42 4.57 3.07 -0.39 -0.78 117.51 124.04 1zrr h ILE 54 Ca -0.02 -0.18 -0.01 0.00 1.55 0.00 0.00 64.86 66.20 1zrr h ILE 54 Cb 0.44 0.97 -0.02 0.00 -0.27 0.00 0.00 36.82 37.94 1zrr h ILE 54 CO 0.03 0.06 0.21 0.00 -1.05 0.00 0.00 178.15 177.40 1zrr h ALA 55 N 1.90 1.57 0.00 0.16 0.00 -1.31 3.68 119.26 125.26 1zrr h ALA 55 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1zrr h ALA 55 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1zrr h ALA 55 CO -0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1zrr h ALA 56 N 1.64 1.00 0.00 0.00 0.00 -0.91 -3.26 119.26 117.74 1zrr h ALA 56 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1zrr h ALA 56 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zrr h ALA 56 CO -0.02 0.00 -0.31 0.66 0.00 0.00 0.00 179.25 179.58 1zrr n TYR 57 N -2.78 0.00 -0.26 0.00 4.01 -0.25 -4.59 117.16 113.29 1zrr n TYR 57 Ca 0.04 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 58.01 1zrr n TYR 57 Cb 0.45 -0.00 0.57 0.00 -0.31 0.00 0.00 39.34 40.04 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 0.00 0.29 -0.70 -0.72 5.75 0.69 0.13 115.11 120.54 1zrr h GLN 58 Ca 0.00 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1zrr h GLN 58 Cb 0.14 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 1zrr h GLN 58 CO 0.00 0.19 0.34 1.12 -2.65 0.00 0.00 178.83 177.83 1zrr h HIS 59 N 0.30 0.61 0.79 3.99 2.07 -1.81 1.57 115.15 122.66 1zrr h HIS 59 Ca 0.50 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.01 1zrr h HIS 59 Cb 1.44 -0.17 0.01 0.00 2.57 0.00 0.00 27.41 31.26 1zrr h HIS 59 CO -0.00 0.22 -0.38 0.00 -3.07 0.00 0.00 177.93 174.70 1zrr h ALA 60 N 1.42 -1.08 0.00 6.11 0.00 -1.08 -2.87 119.26 121.77 1zrr h ALA 60 Ca 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1zrr h ALA 60 Cb 0.36 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1zrr h ALA 60 CO -0.27 -1.00 -0.04 -0.84 0.00 0.00 0.00 179.25 177.10 1zrr h ILE 61 N -1.27 0.25 0.40 0.00 -0.00 -1.37 -3.09 117.51 112.43 1zrr h ILE 61 Ca -0.11 -0.30 -0.02 0.00 -0.00 0.00 0.00 64.86 64.43 1zrr h ILE 61 Cb 0.81 1.23 -0.00 0.00 -0.00 0.00 0.00 36.82 38.87 1zrr h ILE 61 CO 0.18 0.04 -0.24 -0.78 -0.00 0.00 0.00 178.15 177.35 1zrr h ASP 62 N 0.00 -0.60 -0.91 2.16 -0.00 0.25 0.42 116.42 117.75 1zrr h ASP 62 Ca -0.00 0.03 0.22 0.00 -0.00 0.00 0.00 57.03 57.28 1zrr h ASP 62 Cb 0.23 0.17 -0.06 0.00 -0.00 0.00 0.00 39.33 39.67 1zrr h ASP 62 CO 0.01 -0.37 0.61 0.07 -0.00 0.00 0.00 179.24 179.56 1zrr h LYS 63 N -0.59 0.33 0.37 0.28 2.10 -1.45 1.09 116.57 118.69 1zrr h LYS 63 Ca -0.05 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1zrr h LYS 63 Cb 0.47 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1zrr h LYS 63 CO 0.06 0.22 -0.18 1.25 -2.00 0.00 0.00 179.45 178.80 1zrr h LEU 64 N 0.34 -0.42 -1.54 7.07 6.46 -1.33 -2.90 115.31 122.98 1zrr h LEU 64 Ca 0.47 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.06 1zrr h LEU 64 Cb 1.28 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1zrr h LEU 64 CO -0.16 -0.07 -0.20 1.62 -0.62 0.00 0.00 178.44 179.01 1zrr h VAL 65 N -0.80 0.70 -0.86 1.05 3.04 0.11 -2.78 116.25 116.71 1zrr h VAL 65 Ca -0.05 -0.86 0.10 0.00 -1.01 0.00 0.00 66.70 64.87 1zrr h VAL 65 Cb 0.53 1.54 -0.07 0.00 -2.01 0.00 0.00 31.29 31.27 1zrr h VAL 65 CO 0.08 0.20 0.51 0.00 -1.01 0.00 0.00 177.57 177.35 1zrr h ALA 66 N 1.80 1.24 0.01 3.17 0.00 0.14 2.95 119.26 128.56 1zrr h ALA 66 Ca -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zrr h ALA 66 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zrr h ALA 66 CO 0.03 0.14 -0.00 0.93 0.00 0.00 0.00 179.25 180.34 1zrr h GLU 67 N 0.85 -0.01 -0.05 0.00 5.08 -1.44 -3.30 114.58 115.71 1zrr h GLU 67 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1zrr h GLU 67 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1zrr h GLU 67 CO -0.24 0.75 0.00 1.63 -1.00 0.00 0.00 179.01 180.14 1zrr n LYS 68 N -4.66 1.21 -0.40 2.33 5.02 -1.10 -4.93 118.16 115.62 1zrr n LYS 68 Ca -0.08 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1zrr n LYS 68 Cb 0.36 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 69 N 0.87 0.00 3.81 0.72 0.00 0.98 -4.78 105.19 106.79 1zrr n GLY 69 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 2.96 0.17 1.61 1.51 -1.26 -4.94 117.35 117.41 1zrr s TYR 70 Ca 0.00 1.34 -0.14 0.00 -1.01 0.00 0.00 57.07 57.26 1zrr s TYR 70 Cb 0.00 -2.98 0.12 0.00 -0.11 0.00 0.00 41.96 38.99 1zrr s TYR 70 CO 0.00 -1.48 1.77 1.96 -1.11 0.00 0.00 175.55 176.69 1zrr h GLN 71 N -0.89 0.42 -3.61 -0.62 1.08 -1.86 -3.45 115.11 106.17 1zrr h GLN 71 Ca -0.45 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 56.66 1zrr h GLN 71 Cb 1.23 -0.10 -0.13 0.00 -0.05 0.00 0.00 27.48 28.43 1zrr h GLN 71 CO 0.57 0.28 -0.23 -1.12 -0.95 0.00 0.00 178.83 177.38 1zrr s SER 72 N -5.45 -0.05 -0.09 1.46 0.01 -1.12 -5.02 113.70 103.44 1zrr s SER 72 Ca -0.13 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1zrr s SER 72 Cb 0.13 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.78 1zrr s SER 72 CO 0.73 -0.80 -0.16 0.86 0.41 0.00 0.00 173.24 174.29 1zrr s TRP 73 N -3.84 1.86 0.07 2.43 -0.11 -1.26 0.82 118.94 118.92 1zrr s TRP 73 Ca 0.04 -0.78 0.01 0.00 1.22 0.00 0.00 56.10 56.59 1zrr s TRP 73 Cb 0.03 -1.33 -0.04 0.00 -1.50 0.00 0.00 33.47 30.64 1zrr s TRP 73 CO -0.11 -0.38 -0.06 0.34 -4.62 0.00 0.00 176.95 172.12 1zrr s ASP 74 N 0.74 0.92 0.54 5.86 3.68 -0.90 -4.89 116.67 122.62 1zrr s ASP 74 Ca -0.12 -0.89 0.06 0.00 2.13 0.00 0.00 52.55 53.73 1zrr s ASP 74 Cb -0.16 0.10 0.06 0.00 -1.45 0.00 0.00 42.92 41.47 1zrr s ASP 74 CO 0.03 -0.43 0.74 -0.69 0.13 0.00 0.00 175.17 174.94 1zrr s VAL 75 N -3.15 2.52 -0.32 1.11 1.01 -1.26 -1.28 120.40 119.04 1zrr s VAL 75 Ca 0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1zrr s VAL 75 Cb 0.02 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1zrr s VAL 75 CO -0.05 0.00 0.12 -0.63 0.00 0.00 0.00 175.10 174.54 1zrr s ILE 76 N -2.64 4.18 0.38 2.22 -1.09 0.54 -4.75 121.20 120.05 1zrr s ILE 76 Ca 0.59 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1zrr s ILE 76 Cb -0.08 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1zrr s ILE 76 CO 0.38 0.00 0.56 -0.94 -1.23 0.00 0.00 174.94 173.70 1zrr s SER 77 N 1.52 5.93 0.06 3.58 1.04 -1.26 -3.29 113.70 121.27 1zrr s SER 77 Ca 0.02 0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 1zrr s SER 77 Cb -0.18 -1.42 0.09 0.00 0.10 0.00 0.00 66.02 64.61 1zrr s SER 77 CO 0.04 -0.54 0.94 -1.48 0.98 0.00 0.00 173.24 173.19 1zrr s LEU 78 N -4.34 -0.27 -0.00 2.42 -0.00 -1.26 -5.05 118.68 110.17 1zrr s LEU 78 Ca 0.46 -0.17 0.01 0.00 -0.00 0.00 0.00 54.13 54.42 1zrr s LEU 78 Cb -0.10 2.04 -0.00 0.00 -0.00 0.00 0.00 46.19 48.13 1zrr s LEU 78 CO 0.34 -0.71 -0.03 -0.60 -0.00 0.00 0.00 176.35 175.34 1zrr s ARG 79 N -3.14 0.28 0.00 1.48 3.00 -1.26 -4.82 118.95 114.48 1zrr s ARG 79 Ca 0.08 -0.14 0.21 0.00 -1.00 0.00 0.00 55.73 54.89 1zrr s ARG 79 Cb -0.01 -0.25 1.22 0.00 0.00 0.00 0.00 34.95 35.90 1zrr s ARG 79 CO -0.04 0.07 1.67 0.00 0.00 0.00 0.00 175.30 177.00 1zrr n ALA 80 N 2.94 2.24 0.15 6.12 0.00 -1.26 -2.55 120.51 128.14 1zrr n ALA 80 Ca -0.13 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1zrr n ALA 80 Cb 0.59 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.09 1.70 -4.68 0.00 10.43 -1.26 -4.98 116.55 116.66 1zrr n ASP 81 Ca 0.14 -0.37 -0.42 0.00 2.57 0.00 0.00 54.79 56.71 1zrr n ASP 81 Cb 0.10 1.10 -0.03 0.00 1.84 0.00 0.00 41.12 44.14 1zrr n ASP 81 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1zrr s ASN 82 N -1.97 6.66 0.00 -2.24 6.03 -1.06 -4.87 114.94 117.50 1zrr s ASN 82 Ca 0.00 2.37 0.31 0.00 -1.03 0.00 0.00 52.86 54.51 1zrr s ASN 82 Cb 0.04 -2.55 1.71 0.00 -3.03 0.00 0.00 41.25 37.41 1zrr s ASN 82 CO 0.22 -0.87 2.13 -0.81 -2.03 0.00 0.00 177.10 175.74 1zrr n PRO 83 N 5.99 0.82 0.00 3.55 -0.04 -1.26 -3.31 135.00 140.75 1zrr n PRO 83 Ca 0.16 -0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1zrr n PRO 83 Cb 0.42 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.94 1zrr n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zrr n GLN 84 N -1.05 1.03 -0.26 0.54 10.64 -1.26 -3.87 117.38 123.15 1zrr n GLN 84 Ca 0.20 -0.47 0.02 0.00 -1.83 0.00 0.00 57.00 54.92 1zrr n GLN 84 Cb 0.17 -1.49 0.15 0.00 -0.86 0.00 0.00 30.24 28.22 1zrr n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1zrr h LYS 85 N 1.16 0.63 -0.87 2.61 1.63 -1.92 0.13 116.57 119.94 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 0.40 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1zrr h LYS 85 CO 0.00 0.42 0.54 1.49 -3.45 0.00 0.00 179.45 178.45 1zrr h GLU 86 N 0.65 1.18 -0.14 1.90 4.81 -1.87 -0.66 114.58 120.46 1zrr h GLU 86 Ca 0.37 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1zrr h GLU 86 Cb 0.40 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1zrr h GLU 86 CO -0.27 0.82 0.08 0.00 -0.73 0.00 0.00 179.01 178.91 1zrr h ALA 87 N 1.29 0.18 -0.66 2.92 0.00 -1.03 -1.22 119.26 120.75 1zrr h ALA 87 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1zrr h ALA 87 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1zrr h ALA 87 CO -0.06 -0.29 0.36 -0.07 0.00 0.00 0.00 179.25 179.19 1zrr h LEU 88 N 0.14 0.82 -2.02 0.00 -0.00 -0.78 -1.57 115.31 111.90 1zrr h LEU 88 Ca 0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1zrr h LEU 88 Cb 0.06 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1zrr h LEU 88 CO -0.01 0.68 -0.08 0.03 -0.00 0.00 0.00 178.44 179.07 1zrr h ARG 89 N 0.90 0.00 0.71 1.13 3.08 -0.85 -2.10 114.38 117.25 1zrr h ARG 89 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1zrr h ARG 89 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 1zrr h ARG 89 CO -0.04 0.08 -0.34 1.49 -1.07 0.00 0.00 179.97 180.09 1zrr h GLU 90 N 0.00 -0.92 -0.76 0.04 4.57 -0.18 0.59 114.58 117.92 1zrr h GLU 90 Ca -0.00 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1zrr h GLU 90 Cb 0.16 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 1zrr h GLU 90 CO 0.01 -0.61 0.50 1.57 -1.18 0.00 0.00 179.01 179.30 1zrr h LYS 91 N -1.23 0.79 0.00 1.92 2.10 -1.40 0.11 116.57 118.86 1zrr h LYS 91 Ca -0.10 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.43 1zrr h LYS 91 Cb 0.73 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1zrr h LYS 91 CO 0.16 0.52 -0.34 0.74 -2.00 0.00 0.00 179.45 178.54 1zrr h PHE 92 N 0.81 0.00 -0.04 0.07 -1.00 -1.31 -3.17 116.94 112.30 1zrr h PHE 92 Ca 0.33 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.91 1zrr h PHE 92 Cb 0.24 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1zrr h PHE 92 CO -0.00 0.34 -0.81 -0.07 -1.61 0.00 0.00 178.31 176.16 1zrr h LEU 93 N 0.00 0.46 -9.17 1.54 3.38 0.28 -2.23 115.31 109.57 1zrr h LEU 93 Ca -0.00 -0.33 -0.73 0.00 0.09 0.00 0.00 57.88 56.91 1zrr h LEU 93 Cb 1.05 -0.14 0.04 0.00 0.09 0.00 0.00 40.66 41.70 1zrr h LEU 93 CO 0.04 1.09 0.49 0.59 0.09 0.00 0.00 178.44 180.74 1zrr n ASN 94 N -3.79 1.42 -4.63 -0.43 5.03 -0.69 -4.54 115.26 107.64 1zrr n ASN 94 Ca -0.05 1.12 -0.39 0.00 0.87 0.00 0.00 54.58 56.14 1zrr n ASN 94 Cb 0.75 -1.10 0.04 0.00 -1.02 0.00 0.00 39.78 38.46 1zrr n ASN 94 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1zrr n GLU 95 N 3.03 1.13 -2.08 3.52 2.13 -1.26 -4.78 120.64 122.33 1zrr n GLU 95 Ca 0.21 0.42 -0.01 0.00 0.66 0.00 0.00 57.16 58.45 1zrr n GLU 95 Cb 0.13 -2.19 0.01 0.00 0.27 0.00 0.00 31.44 29.66 1zrr n GLU 95 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1zrr n HIS 96 N -1.31 -0.74 -3.64 4.31 1.44 -1.14 -4.82 115.22 109.32 1zrr n HIS 96 Ca 0.12 -0.32 -0.08 0.00 -2.01 0.00 0.00 57.72 55.43 1zrr n HIS 96 Cb 0.45 0.16 -0.07 0.00 0.12 0.00 0.00 29.99 30.65 1zrr n HIS 96 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1zrr s THR 97 N -2.42 0.00 0.21 0.61 2.01 -1.25 -2.54 115.64 112.26 1zrr s THR 97 Ca 0.06 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1zrr s THR 97 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1zrr s THR 97 CO 0.01 0.00 0.10 -1.00 -0.69 0.00 0.00 174.62 173.04 1zrr s HIS 98 N 0.85 2.99 -1.32 4.92 0.09 -1.26 -0.39 115.29 121.17 1zrr s HIS 98 Ca -0.03 -0.11 0.28 0.00 -0.00 0.00 0.00 55.06 55.20 1zrr s HIS 98 Cb -0.05 -1.40 1.37 0.00 -0.00 0.00 0.00 32.58 32.50 1zrr s HIS 98 CO -0.10 0.53 1.95 0.41 -0.00 0.00 0.00 174.74 177.54 1zrr n GLY 99 N -0.60 -1.28 3.56 -2.22 0.00 -0.79 -1.81 105.19 102.04 1zrr n GLY 99 Ca -0.08 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.68 1.84 0.33 1.61 2.02 -1.26 -4.77 118.70 115.80 1zrr s GLU 100 Ca 0.23 -2.03 -0.27 0.00 0.02 0.00 0.00 54.97 52.92 1zrr s GLU 100 Cb 0.19 -1.36 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 1zrr s GLU 100 CO 0.45 -0.09 1.07 -0.51 0.02 0.00 0.00 175.26 176.20 1zrr s ASP 101 N -3.62 7.04 -0.68 -0.19 1.01 -1.26 -3.87 116.67 115.09 1zrr s ASP 101 Ca 0.35 2.15 -0.15 0.00 0.71 0.00 0.00 52.55 55.62 1zrr s ASP 101 Cb 0.09 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.59 1zrr s ASP 101 CO 0.17 -0.30 0.63 -0.70 0.21 0.00 0.00 175.17 175.18 1zrr s GLU 102 N -1.93 3.27 -0.11 8.23 2.12 -0.21 -4.90 118.70 125.18 1zrr s GLU 102 Ca 0.51 -2.10 -0.22 0.00 0.36 0.00 0.00 54.97 53.52 1zrr s GLU 102 Cb -0.27 -4.34 -0.03 0.00 0.26 0.00 0.00 34.13 29.74 1zrr s GLU 102 CO 0.34 -1.30 0.64 0.08 -0.54 0.00 0.00 175.26 174.48 1zrr s VAL 103 N 0.86 5.07 -0.10 3.70 1.01 -1.26 -2.15 120.40 127.52 1zrr s VAL 103 Ca 0.11 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1zrr s VAL 103 Cb -0.20 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1zrr s VAL 103 CO -0.03 0.24 -0.09 -0.60 0.00 0.00 0.00 175.10 174.62 1zrr s ARG 104 N 1.01 1.56 -0.18 2.72 6.06 -1.16 -4.48 118.95 124.49 1zrr s ARG 104 Ca 0.33 -0.29 -0.04 0.00 -2.50 0.00 0.00 55.73 53.23 1zrr s ARG 104 Cb -0.17 -1.54 -0.02 0.00 0.06 0.00 0.00 34.95 33.28 1zrr s ARG 104 CO 0.15 -0.19 -0.03 0.12 -2.50 0.00 0.00 175.30 172.84 1zrr s PHE 105 N 1.44 3.01 -0.15 5.12 2.19 -1.17 -3.09 117.98 125.33 1zrr s PHE 105 Ca 0.00 -0.43 -0.23 0.00 0.33 0.00 0.00 56.93 56.60 1zrr s PHE 105 Cb -0.13 -2.01 -0.03 0.00 -1.31 0.00 0.00 43.02 39.54 1zrr s PHE 105 CO -0.05 -0.17 0.69 -0.06 1.83 0.00 0.00 175.22 177.46 1zrr s PHE 106 N 0.70 3.45 -0.19 10.12 0.08 -1.26 -1.16 117.98 129.72 1zrr s PHE 106 Ca -0.01 1.10 0.08 0.00 0.12 0.00 0.00 56.93 58.21 1zrr s PHE 106 Cb -0.14 -2.84 -0.17 0.00 -0.57 0.00 0.00 43.02 39.30 1zrr s PHE 106 CO 0.02 -0.10 -0.07 0.28 -0.10 0.00 0.00 175.22 175.25 1zrr n VAL 107 N 4.39 1.16 -3.57 -0.44 0.31 -0.84 -4.53 118.33 114.81 1zrr n VAL 107 Ca -0.00 -0.57 -0.16 0.00 -0.01 0.00 0.00 64.34 63.60 1zrr n VAL 107 Cb 0.50 -0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 32.45 1zrr n VAL 107 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1zrr s GLU 108 N -2.41 0.95 0.00 5.55 0.41 -0.93 -4.91 118.70 117.36 1zrr s GLU 108 Ca -0.18 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1zrr s GLU 108 Cb 0.06 0.45 0.00 0.00 -1.78 0.00 0.00 34.13 32.86 1zrr s GLU 108 CO 0.57 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 1zrr n GLY 109 N 1.73 1.34 3.27 -1.39 0.00 -1.26 0.49 105.19 109.37 1zrr n GLY 109 Ca -0.17 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.72 1.49 0.00 4.61 0.00 -1.26 -4.83 121.76 119.06 1zrr s ALA 110 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1zrr s ALA 110 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1zrr s ALA 110 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1zrr n GLY 111 N -0.28 0.86 3.30 0.00 0.00 -1.26 -4.97 105.19 102.83 1zrr n GLY 111 Ca -0.07 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 5.78 -0.09 0.99 0.05 -1.26 -4.41 118.68 119.74 1zrr s LEU 112 Ca 0.00 -1.67 -0.21 0.00 0.05 0.00 0.00 54.13 52.30 1zrr s LEU 112 Cb 0.00 -2.12 -0.04 0.00 -2.05 0.00 0.00 46.19 41.98 1zrr s LEU 112 CO 0.00 -0.72 0.60 0.72 -0.55 0.00 0.00 176.35 176.40 1zrr s PHE 113 N 1.53 3.55 0.04 3.48 -0.12 -1.13 -4.85 117.98 120.47 1zrr s PHE 113 Ca 0.04 1.09 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 1zrr s PHE 113 Cb -0.27 -2.69 -0.04 0.00 -0.63 0.00 0.00 43.02 39.39 1zrr s PHE 113 CO 0.03 0.12 1.06 0.00 -0.05 0.00 0.00 175.22 176.38 1zrr s LEU 115 N 0.89 2.53 -0.24 0.00 1.98 1.14 -4.43 118.68 120.55 1zrr s LEU 115 Ca 0.54 -0.46 -0.01 0.00 -2.89 0.00 0.00 54.13 51.30 1zrr s LEU 115 Cb -0.24 -1.59 0.02 0.00 0.66 0.00 0.00 46.19 45.04 1zrr s LEU 115 CO 0.29 0.07 -0.07 -2.28 -1.89 0.00 0.00 176.35 172.47 1zrr s HIS 116 N 0.91 3.04 -0.08 5.38 5.65 -1.23 0.21 115.29 129.17 1zrr s HIS 116 Ca -0.03 -1.54 0.01 0.00 0.25 0.00 0.00 55.06 53.75 1zrr s HIS 116 Cb -0.15 -2.05 0.02 0.00 -1.18 0.00 0.00 32.58 29.22 1zrr s HIS 116 CO -0.01 -0.73 -0.07 -1.50 -0.65 0.00 0.00 174.74 171.78 1zrr s ILE 117 N 1.33 0.84 0.00 0.89 2.07 -1.19 -3.75 121.20 121.38 1zrr s ILE 117 Ca 0.01 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 1zrr s ILE 117 Cb -0.16 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1zrr s ILE 117 CO -0.05 0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 1zrr n GLY 118 N 4.42 1.28 3.14 1.50 0.00 -1.26 -3.58 105.19 110.68 1zrr n GLY 118 Ca -0.18 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1zrr n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zrr s ASP 119 N -4.00 6.11 0.16 1.61 -0.00 -1.26 -4.97 116.67 114.32 1zrr s ASP 119 Ca 0.00 -3.61 -0.24 0.00 -0.00 0.00 0.00 52.55 48.69 1zrr s ASP 119 Cb 0.00 -1.95 0.06 0.00 -0.00 0.00 0.00 42.92 41.03 1zrr s ASP 119 CO 0.00 -0.22 0.88 -1.83 -0.00 0.00 0.00 175.17 174.00 1zrr s GLU 120 N -1.20 1.28 -0.04 8.23 -1.05 -1.23 -4.84 118.70 119.85 1zrr s GLU 120 Ca 0.27 -0.68 0.05 0.00 -0.15 0.00 0.00 54.97 54.45 1zrr s GLU 120 Cb -0.09 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1zrr s GLU 120 CO -0.11 -0.58 -0.18 0.08 0.95 0.00 0.00 175.26 175.42 1zrr s VAL 121 N -3.42 1.47 -0.08 1.83 1.01 -1.18 -3.18 120.40 116.84 1zrr s VAL 121 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1zrr s VAL 121 Cb -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1zrr s VAL 121 CO 0.01 0.42 -0.19 -0.36 0.00 0.00 0.00 175.10 174.99 1zrr s PHE 122 N -0.07 2.04 -0.16 5.22 0.40 0.56 -3.08 117.98 122.88 1zrr s PHE 122 Ca -0.02 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 1zrr s PHE 122 Cb -0.11 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1zrr s PHE 122 CO 0.02 -0.34 -0.12 -0.65 0.70 0.00 0.00 175.22 174.83 1zrr s GLN 123 N 0.44 2.12 -0.15 0.44 -0.21 0.25 0.36 119.66 122.90 1zrr s GLN 123 Ca -0.16 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 1zrr s GLN 123 Cb -0.16 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1zrr s GLN 123 CO 0.06 -0.30 0.03 0.08 -2.12 0.00 0.00 175.29 173.04 1zrr s VAL 124 N 1.49 4.47 -0.61 1.09 1.01 -1.18 0.16 120.40 126.84 1zrr s VAL 124 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1zrr s VAL 124 Cb -0.14 -2.97 0.17 0.00 0.00 0.00 0.00 36.38 33.44 1zrr s VAL 124 CO -0.10 0.51 0.45 -0.22 0.00 0.00 0.00 175.10 175.73 1zrr s LEU 125 N 0.06 3.70 -0.30 3.92 0.20 -1.13 -2.83 118.68 122.29 1zrr s LEU 125 Ca 0.03 -3.61 -0.13 0.00 0.69 0.00 0.00 54.13 51.12 1zrr s LEU 125 Cb -0.13 -1.24 0.17 0.00 -0.43 0.00 0.00 46.19 44.56 1zrr s LEU 125 CO 0.01 -0.11 0.94 0.00 -0.29 0.00 0.00 176.35 176.90 1zrr s GLU 127 N 2.61 2.26 0.52 0.00 -6.30 -1.26 -4.95 118.70 111.58 1zrr s GLU 127 Ca -0.00 -1.49 0.06 0.00 -2.50 0.00 0.00 54.97 51.03 1zrr s GLU 127 Cb -0.08 -3.38 0.03 0.00 0.00 0.00 0.00 34.13 30.70 1zrr s GLU 127 CO -0.17 -0.82 0.40 0.15 0.02 0.00 0.00 175.26 174.85 1zrr s LYS 128 N 1.22 2.29 0.00 4.30 1.02 -1.26 -4.91 119.74 122.39 1zrr s LYS 128 Ca 0.01 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.06 1zrr s LYS 128 Cb -0.21 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1zrr s LYS 128 CO -0.02 -0.55 0.59 0.09 -0.92 0.00 0.00 175.35 174.54 1zrr n ASN 129 N -1.73 0.00 -4.79 2.83 3.02 -1.26 -4.62 115.26 108.71 1zrr n ASN 129 Ca -0.00 0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 1zrr n ASN 129 Cb 0.64 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.73 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1zrr s ASP 130 N -2.18 5.56 0.21 6.41 1.47 -1.26 -3.87 116.67 123.01 1zrr s ASP 130 Ca 0.00 1.91 0.11 0.00 1.18 0.00 0.00 52.55 55.75 1zrr s ASP 130 Cb 0.00 -2.54 -0.05 0.00 -0.34 0.00 0.00 42.92 39.99 1zrr s ASP 130 CO 0.00 -1.32 -0.22 -1.48 0.68 0.00 0.00 175.17 172.82 1zrr s LEU 131 N -4.56 2.47 -0.10 2.11 0.05 -1.21 -4.13 118.68 113.31 1zrr s LEU 131 Ca 0.65 -0.91 0.03 0.00 0.05 0.00 0.00 54.13 53.96 1zrr s LEU 131 Cb -0.18 -1.12 0.01 0.00 -2.05 0.00 0.00 46.19 42.85 1zrr s LEU 131 CO 0.37 0.09 -0.20 -0.51 -0.55 0.00 0.00 176.35 175.55 1zrr s ILE 132 N -1.91 1.81 -0.12 1.48 1.10 -1.18 -3.87 121.20 118.51 1zrr s ILE 132 Ca 0.22 -0.86 -0.02 0.00 -0.51 0.00 0.00 60.65 59.49 1zrr s ILE 132 Cb -0.07 -1.59 -0.03 0.00 0.15 0.00 0.00 42.46 40.92 1zrr s ILE 132 CO 0.11 0.50 -0.04 -0.55 -2.11 0.00 0.00 174.94 172.85 1zrr s SER 133 N 0.59 4.84 -0.15 4.50 0.15 -1.26 -2.98 113.70 119.38 1zrr s SER 133 Ca -0.14 -0.05 -0.06 0.00 0.70 0.00 0.00 55.95 56.40 1zrr s SER 133 Cb -0.17 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 1zrr s SER 133 CO 0.04 0.26 0.06 -0.69 1.20 0.00 0.00 173.24 174.12 1zrr s VAL 134 N -0.17 4.83 0.58 4.45 1.01 -0.92 -3.74 120.40 126.45 1zrr s VAL 134 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1zrr s VAL 134 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1zrr s VAL 134 CO 0.02 0.52 1.14 -2.16 0.00 0.00 0.00 175.10 174.62 1zrr s PRO 135 N -0.15 3.13 0.20 2.72 0.04 -1.26 -1.04 135.00 138.64 1zrr s PRO 135 Ca 0.07 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1zrr s PRO 135 Cb -0.12 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1zrr s PRO 135 CO 0.01 -1.02 1.28 0.00 0.04 0.00 0.00 177.00 177.31 1zrr s ALA 136 N -1.90 3.50 0.00 8.56 0.00 -1.25 -2.85 121.76 127.82 1zrr s ALA 136 Ca 0.72 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1zrr s ALA 136 Cb -0.24 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1zrr s ALA 136 CO 0.32 -0.49 0.00 1.58 0.00 0.00 0.00 175.76 177.16 1zrr n HIS 137 N 2.55 0.00 -3.89 0.00 -0.00 -0.75 -4.94 115.22 108.19 1zrr n HIS 137 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 1zrr n HIS 137 Cb 0.43 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.32 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 -2.14 4.73 0.20 3.57 2.01 -1.13 -5.01 115.64 117.86 1zrr s THR 138 Ca 0.00 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 1zrr s THR 138 Cb 0.00 -3.17 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 1zrr s THR 138 CO 0.00 0.40 1.55 -2.16 -0.69 0.00 0.00 174.62 173.72 1zrr s PRO 139 N 0.89 4.21 -0.05 4.92 0.04 -1.25 -4.66 135.00 139.11 1zrr s PRO 139 Ca 0.04 2.38 -0.31 0.00 0.04 0.00 0.00 61.00 63.16 1zrr s PRO 139 Cb -0.14 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.39 1zrr s PRO 139 CO 0.03 -0.57 0.99 -3.38 0.04 0.00 0.00 177.00 174.11 1zrr s HIS 140 N 0.79 -0.27 0.00 0.56 -3.43 -1.05 -3.57 115.29 108.32 1zrr s HIS 140 Ca 0.67 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 1zrr s HIS 140 Cb -0.44 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1zrr s HIS 140 CO 0.35 -0.45 0.00 -2.67 -2.00 0.00 0.00 174.74 169.97 1zrr n TRP 141 N -0.21 0.00 -3.56 0.38 2.14 -1.26 -2.89 117.44 112.04 1zrr n TRP 141 Ca -0.06 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.54 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 1.88 -0.05 -0.12 -2.67 5.36 -0.84 -4.93 117.98 116.61 1zrr s PHE 142 Ca 0.00 0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 55.98 1zrr s PHE 142 Cb 0.00 0.03 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1zrr s PHE 142 CO 0.00 -0.03 0.30 0.34 -1.46 0.00 0.00 175.22 174.38 1zrr s ASP 143 N 1.22 -0.33 -0.15 6.13 -1.08 -1.26 -2.90 116.67 118.29 1zrr s ASP 143 Ca -0.06 0.63 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 1zrr s ASP 143 Cb -0.02 0.59 0.46 0.00 -1.46 0.00 0.00 42.92 42.50 1zrr s ASP 143 CO -0.11 -0.13 1.36 0.23 0.52 0.00 0.00 175.17 177.04 1zrr n MET 144 N 3.36 2.67 0.00 4.34 2.81 -1.26 -4.84 117.12 124.19 1zrr n MET 144 Ca -0.17 -2.71 0.00 0.00 -1.81 0.00 0.00 57.70 53.02 1zrr n MET 144 Cb 0.57 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 -0.56 0.00 3.65 3.03 0.00 -1.26 -3.26 105.19 106.79 1zrr n GLY 145 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 6.83 -0.23 1.61 1.04 -1.26 -4.84 113.70 116.85 1zrr s SER 146 Ca 0.00 1.03 -0.03 0.00 0.48 0.00 0.00 55.95 57.43 1zrr s SER 146 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1zrr s SER 146 CO 0.00 -0.47 -0.05 -1.83 0.98 0.00 0.00 173.24 171.87 1zrr s GLU 147 N 2.64 3.16 -0.53 4.02 1.03 -1.20 -4.99 118.70 122.83 1zrr s GLU 147 Ca 0.35 -0.77 0.02 0.00 0.03 0.00 0.00 54.97 54.60 1zrr s GLU 147 Cb -0.16 -2.99 0.55 0.00 -0.80 0.00 0.00 34.13 30.73 1zrr s GLU 147 CO 0.08 -0.28 1.89 -0.35 -1.33 0.00 0.00 175.26 175.28 1zrr n PRO 148 N 4.75 2.48 -1.30 -4.83 -0.04 -1.26 -4.53 135.00 130.27 1zrr n PRO 148 Ca -0.18 -3.21 0.00 0.00 -0.04 0.00 0.00 63.50 60.07 1zrr n PRO 148 Cb 0.49 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.02 -1.73 -4.94 3.54 4.05 -1.26 -4.87 115.26 109.03 1zrr n ASN 149 Ca 0.58 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 55.33 1zrr n ASN 149 Cb 1.13 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 41.48 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1zrr s PHE 150 N -2.87 3.50 -0.05 1.20 -0.71 -1.26 -4.65 117.98 113.13 1zrr s PHE 150 Ca 0.00 0.17 0.06 0.00 -1.04 0.00 0.00 56.93 56.12 1zrr s PHE 150 Cb 0.00 -1.71 -0.02 0.00 -1.21 0.00 0.00 43.02 40.09 1zrr s PHE 150 CO 0.00 0.53 -0.22 0.99 -1.34 0.00 0.00 175.22 175.18 1zrr s THR 151 N -1.67 2.35 0.11 -4.49 2.01 0.18 -4.43 115.64 109.70 1zrr s THR 151 Ca 0.35 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1zrr s THR 151 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1zrr s THR 151 CO 0.28 0.57 0.10 0.00 -0.69 0.00 0.00 174.62 174.89 1zrr s ALA 152 N -0.38 0.44 -0.05 7.40 0.00 -1.21 -1.99 121.76 125.98 1zrr s ALA 152 Ca 0.03 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1zrr s ALA 152 Cb -0.12 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1zrr s ALA 152 CO 0.02 -0.50 -0.24 0.42 0.00 0.00 0.00 175.76 175.46 1zrr s ILE 153 N -3.97 2.20 0.17 0.00 1.01 -0.31 -0.33 121.20 119.95 1zrr s ILE 153 Ca 0.16 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1zrr s ILE 153 Cb 0.06 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1zrr s ILE 153 CO -0.03 0.57 0.10 -0.60 0.00 0.00 0.00 174.94 174.98 1zrr s ARG 154 N -0.33 1.07 0.18 2.79 3.52 -0.40 -3.05 118.95 122.72 1zrr s ARG 154 Ca 0.02 -1.53 0.07 0.00 -0.13 0.00 0.00 55.73 54.15 1zrr s ARG 154 Cb -0.12 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 1zrr s ARG 154 CO 0.02 -0.33 0.05 0.42 -0.81 0.00 0.00 175.30 174.65 1zrr s ILE 155 N -4.10 3.97 -0.20 4.11 1.09 -1.26 -2.12 121.20 122.68 1zrr s ILE 155 Ca 0.32 -1.34 -0.06 0.00 -1.10 0.00 0.00 60.65 58.47 1zrr s ILE 155 Cb 0.07 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.42 1zrr s ILE 155 CO 0.07 -0.13 0.03 -0.36 -0.10 0.00 0.00 174.94 174.44 1zrr s PHE 156 N -1.78 3.09 0.18 3.97 2.99 0.24 -4.78 117.98 121.89 1zrr s PHE 156 Ca 0.29 -0.31 0.04 0.00 0.00 0.00 0.00 56.93 56.95 1zrr s PHE 156 Cb -0.09 -2.10 -0.05 0.00 0.00 0.00 0.00 43.02 40.78 1zrr s PHE 156 CO 0.20 -0.15 -0.07 0.34 -0.00 0.00 0.00 175.22 175.54 1zrr s ASP 157 N 0.92 1.86 0.39 1.36 3.68 -1.26 -2.79 116.67 120.84 1zrr s ASP 157 Ca 0.02 -1.09 0.00 0.00 2.13 0.00 0.00 52.55 53.62 1zrr s ASP 157 Cb -0.14 -0.01 -0.02 0.00 -1.45 0.00 0.00 42.92 41.30 1zrr s ASP 157 CO 0.02 -0.39 0.60 0.54 0.13 0.00 0.00 175.17 176.08 1zrr s ASN 158 N -3.23 6.11 0.04 -0.34 2.20 -1.26 -4.99 114.94 113.47 1zrr s ASN 158 Ca 0.21 0.39 -0.28 0.00 -0.94 0.00 0.00 52.86 52.24 1zrr s ASN 158 Cb 0.03 -1.83 -0.17 0.00 -2.00 0.00 0.00 41.25 37.28 1zrr s ASN 158 CO 0.04 -0.46 1.40 1.55 -2.94 0.00 0.00 177.10 176.69 1zrr h PRO 159 N 0.60 -0.65 0.00 3.55 0.13 -2.02 -2.34 132.00 131.28 1zrr h PRO 159 Ca -0.48 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1zrr h PRO 159 Cb 1.23 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1zrr h PRO 159 CO 0.60 -0.36 0.77 1.49 -0.23 0.00 0.00 178.00 180.26 1zrr h GLU 160 N -0.85 0.00 0.01 0.86 4.57 -2.02 3.30 114.58 120.45 1zrr h GLU 160 Ca -0.07 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.81 1zrr h GLU 160 Cb 0.59 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 1zrr h GLU 160 CO 0.11 0.00 -1.73 0.78 -1.18 0.00 0.00 179.01 177.00 1zrr h GLY 161 N 0.00 0.03 -2.41 1.92 0.00 -1.83 -3.47 103.07 97.31 1zrr h GLY 161 Ca 0.00 -0.09 -0.45 0.00 0.00 0.00 0.00 47.33 46.79 1zrr h GLY 161 CO 0.00 0.08 -0.18 0.66 0.00 0.00 0.00 176.54 177.10 1zrr s TRP 162 N -2.60 3.15 0.06 5.60 1.48 1.10 -1.89 118.94 125.84 1zrr s TRP 162 Ca -0.06 0.04 0.04 0.00 -1.06 0.00 0.00 56.10 55.06 1zrr s TRP 162 Cb 0.08 -2.23 -0.04 0.00 -1.16 0.00 0.00 33.47 30.12 1zrr s TRP 162 CO 0.82 -0.27 -0.00 0.42 -4.06 0.00 0.00 176.95 173.85 1zrr s ILE 163 N -2.43 4.03 0.00 0.66 1.01 0.47 -4.72 121.20 120.22 1zrr s ILE 163 Ca 0.48 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1zrr s ILE 163 Cb -0.10 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1zrr s ILE 163 CO 0.35 0.21 0.00 0.00 0.00 0.00 0.00 174.94 175.51 1zrr n ALA 164 N 0.88 0.00 -2.23 9.38 0.00 -1.26 -3.75 120.51 123.53 1zrr n ALA 164 Ca -0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1zrr n ALA 164 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.51 0.75 -0.24 0.00 -1.52 -1.26 -4.10 119.66 112.77 1zrr s GLN 165 Ca 0.00 -1.20 -0.01 0.00 -1.95 0.00 0.00 55.36 52.20 1zrr s GLN 165 Cb 0.00 0.25 -0.15 0.00 -0.22 0.00 0.00 33.01 32.90 1zrr s GLN 165 CO 0.00 -0.19 -0.23 1.97 -0.25 0.00 0.00 175.29 176.59 1zrr n PHE 166 N 0.02 0.00 -0.01 0.91 1.16 -1.26 -4.76 117.46 113.52 1zrr n PHE 166 Ca -0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.45 1zrr n PHE 166 Cb 0.62 -0.90 -0.02 0.00 -1.61 0.00 0.00 39.48 37.57 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1zrr n THR 167 N -3.35 0.14 0.00 1.97 -2.24 -1.26 -5.02 114.28 104.52 1zrr n THR 167 Ca -0.43 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1zrr n THR 167 Cb 0.93 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 2.89 0.34 3.81 3.38 0.00 -1.26 -5.08 105.19 109.27 1zrr n GLY 168 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 7.03 -0.71 1.61 -0.00 -1.26 -5.01 116.67 116.01 1zrr s ASP 169 Ca 0.00 1.76 -0.06 0.00 -0.00 0.00 0.00 52.55 54.25 1zrr s ASP 169 Cb 0.00 -2.55 0.18 0.00 -0.00 0.00 0.00 42.92 40.55 1zrr s ASP 169 CO 0.00 -0.29 0.57 -0.62 -0.00 0.00 0.00 175.17 174.83 1zrr s ASP 170 N -1.98 5.77 0.34 0.27 2.15 -1.26 -4.77 116.67 117.20 1zrr s ASP 170 Ca 0.58 -2.88 0.18 0.00 0.43 0.00 0.00 52.55 50.87 1zrr s ASP 170 Cb -0.13 -1.97 0.25 0.00 -0.30 0.00 0.00 42.92 40.77 1zrr s ASP 170 CO 0.17 -0.42 1.54 -0.29 -0.17 0.00 0.00 175.17 176.00 1zrr h ILE 171 N 5.02 0.60 -0.89 4.11 2.10 -1.95 -3.22 117.51 123.28 1zrr h ILE 171 Ca 0.04 -1.76 0.07 0.00 1.08 0.00 0.00 64.86 64.29 1zrr h ILE 171 Cb 0.97 2.23 -0.07 0.00 -1.09 0.00 0.00 36.82 38.86 1zrr h ILE 171 CO 0.73 0.33 0.55 0.00 -1.08 0.00 0.00 178.15 178.69 1zrr h ALA 172 N 1.66 1.24 0.00 0.18 0.00 -1.89 0.16 119.26 120.62 1zrr h ALA 172 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1zrr h ALA 172 Cb 1.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1zrr h ALA 172 CO 0.04 0.28 0.05 -1.13 0.00 0.00 0.00 179.25 178.50 1zrr n SER 173 N -4.61 0.00 0.12 0.00 3.41 -1.22 -1.32 113.62 110.00 1zrr n SER 173 Ca 0.14 0.11 -0.20 0.00 -0.26 0.00 0.00 58.87 58.66 1zrr n SER 173 Cb 0.20 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.00 -0.32 7.33 0.00 -0.89 -3.36 119.26 123.37 1zrr h ALA 174 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 1zrr h ALA 174 Cb 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1zrr h ALA 174 CO 0.00 0.85 -0.02 0.66 0.00 0.00 0.00 179.25 180.75 1zrr n TYR 175 N -3.62 1.06 0.29 0.00 4.01 -0.43 -4.83 117.16 113.64 1zrr n TYR 175 Ca -0.12 -1.28 0.17 0.00 -0.16 0.00 0.00 57.90 56.51 1zrr n TYR 175 Cb 1.05 -0.42 0.96 0.00 -0.31 0.00 0.00 39.34 40.62 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 1.30 0.00 -5.76 -0.72 0.13 -1.72 -3.41 132.00 121.83 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 1.59 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.64 1zrr h PRO 176 CO 0.33 0.00 0.06 1.03 -0.23 0.00 0.00 178.00 179.19 1zrr s ARG 177 N -4.51 4.29 -0.18 0.86 0.52 -1.26 -4.30 118.95 114.37 1zrr s ARG 177 Ca -0.05 0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 55.58 1zrr s ARG 177 Cb 0.14 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1zrr s ARG 177 CO 0.51 -0.09 0.73 -1.17 0.02 0.00 0.00 175.30 175.29 1zrr s LEU 178 N 1.40 4.17 0.00 2.53 2.96 -1.26 -4.91 118.68 123.57 1zrr s LEU 178 Ca 0.30 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1zrr s LEU 178 Cb -0.16 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1zrr s LEU 178 CO 0.12 -0.32 0.00 0.00 -1.32 0.00 0.00 176.35 174.83