#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 4.19 -0.26 7.33 0.00 -1.20 -3.27 121.76 128.54 1zrr s ALA 2 Ca 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 1zrr s ALA 2 Cb 0.00 -1.87 0.12 0.00 0.00 0.00 0.00 23.12 21.37 1zrr s ALA 2 CO 0.00 -0.57 0.56 -1.17 0.00 0.00 0.00 175.76 174.57 1zrr s LEU 3 N -4.59 -0.97 -0.11 0.00 2.96 -0.90 -2.88 118.68 112.19 1zrr s LEU 3 Ca 0.57 1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 55.76 1zrr s LEU 3 Cb -0.10 1.92 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 1zrr s LEU 3 CO 0.36 -0.23 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 1zrr s THR 4 N 2.79 3.63 -0.03 3.68 2.01 0.11 -3.49 115.64 124.33 1zrr s THR 4 Ca -0.03 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1zrr s THR 4 Cb -0.12 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1zrr s THR 4 CO -0.17 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.52 1zrr s ILE 5 N -0.11 1.23 0.25 1.82 1.01 -1.08 -0.85 121.20 123.46 1zrr s ILE 5 Ca 0.01 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1zrr s ILE 5 Cb -0.13 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1zrr s ILE 5 CO 0.03 0.35 0.01 -0.36 0.00 0.00 0.00 174.94 174.97 1zrr s PHE 6 N -0.12 1.64 0.74 3.97 0.40 -1.19 -2.09 117.98 121.33 1zrr s PHE 6 Ca 0.01 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.34 1zrr s PHE 6 Cb -0.09 -0.97 0.10 0.00 0.51 0.00 0.00 43.02 42.58 1zrr s PHE 6 CO 0.01 -0.04 1.04 -1.12 0.70 0.00 0.00 175.22 175.80 1zrr s SER 7 N -3.34 4.41 -0.01 1.36 0.01 -1.24 -2.68 113.70 112.21 1zrr s SER 7 Ca 0.31 0.11 0.12 0.00 1.31 0.00 0.00 55.95 57.79 1zrr s SER 7 Cb 0.06 -0.59 -0.22 0.00 0.21 0.00 0.00 66.02 65.49 1zrr s SER 7 CO 0.10 -1.84 0.76 -0.37 0.41 0.00 0.00 173.24 172.31 1zrr h VAL 8 N -0.69 0.91 -0.15 3.43 -1.51 -1.91 -3.37 116.25 112.97 1zrr h VAL 8 Ca -0.42 -2.71 -0.20 0.00 -1.23 0.00 0.00 66.70 62.14 1zrr h VAL 8 Cb 1.28 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 1zrr h VAL 8 CO 0.49 0.52 -0.72 0.11 -1.23 0.00 0.00 177.57 176.74 1zrr h LYS 9 N 0.00 0.67 -3.46 5.19 1.57 -1.95 -3.44 116.57 115.15 1zrr h LYS 9 Ca -0.24 -0.52 -0.36 0.00 -1.87 0.00 0.00 60.65 57.67 1zrr h LYS 9 Cb 1.94 0.10 -0.37 0.00 0.08 0.00 0.00 32.23 33.98 1zrr h LYS 9 CO 0.08 1.14 -0.74 -0.51 -0.57 0.00 0.00 179.45 178.85 1zrr s ASP 10 N -7.04 0.81 0.29 0.86 1.11 -1.26 -5.02 116.67 106.43 1zrr s ASP 10 Ca -0.09 0.04 0.20 0.00 0.18 0.00 0.00 52.55 52.88 1zrr s ASP 10 Cb 0.10 -0.16 0.12 0.00 1.07 0.00 0.00 42.92 44.04 1zrr s ASP 10 CO 0.88 -0.19 1.31 1.55 1.18 0.00 0.00 175.17 179.90 1zrr h PRO 11 N 7.97 0.00 0.00 8.23 0.13 -1.85 -3.29 132.00 143.19 1zrr h PRO 11 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1zrr h PRO 11 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1zrr h PRO 11 CO 0.29 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.25 1zrr n GLN 12 N -2.98 0.43 -4.25 0.86 1.13 -1.26 -4.55 117.38 106.76 1zrr n GLN 12 Ca 0.01 0.04 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 1zrr n GLN 12 Cb 0.62 -1.50 -0.17 0.00 0.11 0.00 0.00 30.24 29.31 1zrr n GLN 12 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1zrr s ASN 13 N -2.19 2.56 -0.14 1.08 4.22 -1.25 -5.11 114.94 114.13 1zrr s ASN 13 Ca 0.22 -0.46 -0.17 0.00 -2.14 0.00 0.00 52.86 50.32 1zrr s ASN 13 Cb 0.11 -1.13 -0.04 0.00 1.28 0.00 0.00 41.25 41.47 1zrr s ASN 13 CO 0.21 -0.02 0.42 -0.94 -2.04 0.00 0.00 177.10 174.73 1zrr s SER 14 N 1.23 6.60 0.00 3.54 1.04 -1.26 -3.87 113.70 120.98 1zrr s SER 14 Ca -0.01 0.71 0.26 0.00 0.48 0.00 0.00 55.95 57.39 1zrr s SER 14 Cb -0.14 -2.25 0.62 0.00 0.10 0.00 0.00 66.02 64.35 1zrr s SER 14 CO -0.06 0.02 1.49 0.18 0.98 0.00 0.00 173.24 175.85 1zrr n LEU 15 N 3.69 0.80 -3.20 2.42 4.32 -0.89 -4.74 117.00 119.41 1zrr n LEU 15 Ca -0.08 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 1zrr n LEU 15 Cb 0.52 -0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 1zrr n LEU 15 CO 0.42 0.17 0.08 0.86 -1.22 0.00 0.00 177.39 177.69 1zrr s TRP 16 N -2.73 -1.48 -0.26 -1.77 -0.00 -1.23 -5.04 118.94 106.43 1zrr s TRP 16 Ca 0.18 1.20 0.02 0.00 -0.00 0.00 0.00 56.10 57.50 1zrr s TRP 16 Cb 0.18 0.31 0.05 0.00 -0.00 0.00 0.00 33.47 34.02 1zrr s TRP 16 CO 0.61 -0.93 -0.10 -1.58 -0.00 0.00 0.00 176.95 174.94 1zrr s HIS 17 N 2.76 3.22 0.16 5.86 5.65 -1.26 -2.63 115.29 129.04 1zrr s HIS 17 Ca 0.15 -2.17 -0.23 0.00 0.25 0.00 0.00 55.06 53.06 1zrr s HIS 17 Cb -0.13 -1.96 0.06 0.00 -1.18 0.00 0.00 32.58 29.37 1zrr s HIS 17 CO -0.23 -0.86 0.69 -1.12 -0.65 0.00 0.00 174.74 172.57 1zrr s SER 18 N 1.15 -0.45 -0.43 9.88 0.01 -1.23 -5.08 113.70 117.55 1zrr s SER 18 Ca -0.07 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1zrr s SER 18 Cb -0.19 0.59 0.14 0.00 0.21 0.00 0.00 66.02 66.77 1zrr s SER 18 CO -0.05 -1.00 0.25 0.28 0.41 0.00 0.00 173.24 173.13 1zrr s THR 19 N -3.67 1.17 0.12 1.44 -1.32 -1.26 -2.11 115.64 110.00 1zrr s THR 19 Ca 0.04 -2.45 0.08 0.00 -1.21 0.00 0.00 61.69 58.15 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 -0.07 -0.93 -0.20 0.20 -2.21 0.00 0.00 174.62 171.41 1zrr s ASN 20 N 0.42 2.51 -0.02 8.08 0.01 -1.20 -4.65 114.94 120.08 1zrr s ASN 20 Ca 0.19 -0.73 -0.16 0.00 -0.71 0.00 0.00 52.86 51.45 1zrr s ASN 20 Cb -0.22 -0.14 -0.33 0.00 0.41 0.00 0.00 41.25 40.98 1zrr s ASN 20 CO -0.01 0.02 0.83 0.00 -1.51 0.00 0.00 177.10 176.43 1zrr h ALA 21 N 3.86 -0.02 0.06 0.60 0.00 -1.99 -3.09 119.26 118.67 1zrr h ALA 21 Ca -0.45 -0.94 -0.14 0.00 0.00 0.00 0.00 54.91 53.39 1zrr h ALA 21 Cb 1.19 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1zrr h ALA 21 CO 0.43 0.74 -0.70 1.49 0.00 0.00 0.00 179.25 181.21 1zrr h GLU 22 N -0.02 0.13 0.00 0.00 4.81 -1.99 -3.15 114.58 114.36 1zrr h GLU 22 Ca -0.27 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1zrr h GLU 22 Cb 2.01 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1zrr h GLU 22 CO 0.20 1.10 -0.08 0.93 -0.73 0.00 0.00 179.01 180.44 1zrr h GLU 23 N -0.70 0.00 0.06 1.92 5.08 -1.99 -1.83 114.58 117.13 1zrr h GLU 23 Ca -0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1zrr h GLU 23 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1zrr h GLU 23 CO 0.02 0.08 -0.03 0.82 -1.00 0.00 0.00 179.01 178.89 1zrr h ILE 24 N 0.00 1.23 -0.14 3.13 2.04 -1.63 -1.59 117.51 120.56 1zrr h ILE 24 Ca -0.00 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1zrr h ILE 24 Cb 0.29 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1zrr h ILE 24 CO 0.01 0.28 -0.04 -0.61 0.00 0.00 0.00 178.15 177.79 1zrr h GLN 25 N -0.62 -0.01 -0.59 2.37 -0.00 -1.39 -1.46 115.11 113.40 1zrr h GLN 25 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1zrr h GLN 25 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.98 1zrr h GLN 25 CO 0.01 -0.01 0.39 0.37 0.00 0.00 0.00 178.83 179.60 1zrr h GLN 26 N -0.01 0.62 0.52 1.69 4.15 -1.38 0.88 115.11 121.58 1zrr h GLN 26 Ca 0.07 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1zrr h GLN 26 Cb 0.11 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.67 1zrr h GLN 26 CO -0.15 0.41 -0.25 0.37 -1.93 0.00 0.00 178.83 177.28 1zrr h GLN 27 N 0.64 -0.68 0.31 1.69 5.75 -0.25 0.05 115.11 122.62 1zrr h GLN 27 Ca 0.24 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1zrr h GLN 27 Cb 0.16 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1zrr h GLN 27 CO -0.07 -0.45 -0.15 1.37 -2.65 0.00 0.00 178.83 176.88 1zrr h LEU 28 N -0.84 -0.36 -1.97 -2.39 8.10 -1.28 -2.85 115.31 113.73 1zrr h LEU 28 Ca -0.07 -0.18 0.17 0.00 0.11 0.00 0.00 57.88 57.90 1zrr h LEU 28 Cb 0.54 0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.83 1zrr h LEU 28 CO 0.12 0.04 0.50 -1.13 -4.11 0.00 0.00 178.44 173.86 1zrr h ASN 29 N -0.82 0.00 0.29 0.17 -0.73 0.67 1.34 115.58 116.51 1zrr h ASN 29 Ca -0.04 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 1zrr h ASN 29 Cb 0.52 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.10 1zrr h ASN 29 CO 0.07 0.00 -0.16 0.00 -0.37 0.00 0.00 177.43 176.97 1zrr h ALA 30 N 1.53 1.44 -0.39 1.57 0.00 -0.73 -0.85 119.26 121.84 1zrr h ALA 30 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zrr h ALA 30 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1zrr h ALA 30 CO -0.00 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.08 1zrr n LYS 31 N -3.92 2.08 -0.45 0.00 5.02 0.46 -4.85 118.16 116.49 1zrr n LYS 31 Ca -0.02 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 1zrr n LYS 31 Cb 0.25 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.03 1.23 3.88 0.72 0.00 -0.33 -5.07 105.19 106.66 1zrr n GLY 32 Ca 0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 5.25 0.49 1.61 1.01 -1.12 -4.55 120.40 121.09 1zrr s VAL 33 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1zrr s VAL 33 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1zrr s VAL 33 CO 0.00 0.29 0.86 -0.60 0.00 0.00 0.00 175.10 175.66 1zrr s ARG 34 N -1.95 3.71 -0.03 2.72 3.52 -1.14 -4.01 118.95 121.77 1zrr s ARG 34 Ca 0.31 0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 56.25 1zrr s ARG 34 Cb -0.13 -2.28 0.04 0.00 -1.56 0.00 0.00 34.95 31.02 1zrr s ARG 34 CO 0.18 -0.22 0.44 0.12 -0.81 0.00 0.00 175.30 175.00 1zrr s PHE 35 N -2.67 -0.35 -0.07 5.12 5.36 -1.26 -3.67 117.98 120.45 1zrr s PHE 35 Ca 0.52 0.57 -0.32 0.00 -0.96 0.00 0.00 56.93 56.75 1zrr s PHE 35 Cb -0.10 0.20 0.12 0.00 -0.34 0.00 0.00 43.02 42.90 1zrr s PHE 35 CO 0.39 -0.46 1.24 -2.00 -1.46 0.00 0.00 175.22 172.93 1zrr s GLU 36 N -1.26 0.41 -0.20 10.12 2.56 -0.91 -4.94 118.70 124.49 1zrr s GLU 36 Ca -0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 54.97 54.52 1zrr s GLU 36 Cb -0.03 0.15 0.06 0.00 2.00 0.00 0.00 34.13 36.31 1zrr s GLU 36 CO 0.06 -0.19 0.49 -0.98 -0.56 0.00 0.00 175.26 174.08 1zrr s ARG 37 N -2.48 0.49 0.15 4.30 1.70 -1.26 0.97 118.95 122.81 1zrr s ARG 37 Ca 0.12 0.88 0.10 0.00 -0.47 0.00 0.00 55.73 56.36 1zrr s ARG 37 Cb 0.02 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1zrr s ARG 37 CO -0.04 -0.15 -0.19 -1.58 -1.08 0.00 0.00 175.30 172.26 1zrr s TRP 38 N 1.34 2.46 0.09 5.89 0.51 -1.21 -4.98 118.94 123.04 1zrr s TRP 38 Ca -0.09 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 53.61 1zrr s TRP 38 Cb -0.07 -1.28 -0.04 0.00 -0.81 0.00 0.00 33.47 31.27 1zrr s TRP 38 CO -0.13 0.42 -0.07 -1.14 -0.51 0.00 0.00 176.95 175.53 1zrr s GLN 39 N -2.35 0.79 0.28 4.98 0.74 -1.26 -4.74 119.66 118.10 1zrr s GLN 39 Ca 0.19 -1.26 0.04 0.00 0.05 0.00 0.00 55.36 54.38 1zrr s GLN 39 Cb -0.10 -0.20 -0.03 0.00 1.10 0.00 0.00 33.01 33.78 1zrr s GLN 39 CO 0.10 -0.01 0.42 0.00 -0.55 0.00 0.00 175.29 175.25 1zrr s ALA 40 N -3.35 3.89 -0.28 1.58 0.00 -1.26 -5.01 121.76 117.32 1zrr s ALA 40 Ca 0.09 -1.16 0.22 0.00 0.00 0.00 0.00 51.96 51.11 1zrr s ALA 40 Cb 0.03 -1.83 -0.26 0.00 0.00 0.00 0.00 23.12 21.06 1zrr s ALA 40 CO -0.04 0.14 0.65 -0.25 0.00 0.00 0.00 175.76 176.26 1zrr n ASP 41 N -1.54 0.31 -4.96 0.00 10.43 -1.26 -4.93 116.55 114.60 1zrr n ASP 41 Ca -0.07 -0.18 -0.23 0.00 2.57 0.00 0.00 54.79 56.89 1zrr n ASP 41 Cb 0.57 1.58 0.01 0.00 1.84 0.00 0.00 41.12 45.12 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 -3.38 3.04 -0.28 -1.24 0.52 -1.26 -5.06 118.95 111.29 1zrr s ARG 42 Ca -0.03 -0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 1zrr s ARG 42 Cb 0.14 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 1zrr s ARG 42 CO 0.88 -0.28 0.44 0.34 0.02 0.00 0.00 175.30 176.71 1zrr s ASP 43 N -4.23 6.33 0.50 0.23 -1.08 -1.26 -5.06 116.67 112.10 1zrr s ASP 43 Ca 0.49 0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 52.85 1zrr s ASP 43 Cb -0.10 -2.24 0.01 0.00 -1.46 0.00 0.00 42.92 39.13 1zrr s ASP 43 CO 0.38 -0.26 0.74 -0.76 0.52 0.00 0.00 175.17 175.79 1zrr s LEU 44 N 2.20 3.47 0.00 -1.34 1.43 -1.26 -5.05 118.68 118.13 1zrr s LEU 44 Ca 0.18 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1zrr s LEU 44 Cb -0.16 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1zrr s LEU 44 CO 0.10 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.40 1zrr n GLY 45 N -2.25 1.31 3.46 -3.19 0.00 -1.26 -5.03 105.19 98.24 1zrr n GLY 45 Ca 0.04 0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 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 3.87 -3.72 4.61 0.00 -1.26 -4.90 120.51 116.11 1zrr n ALA 46 Ca 0.00 -4.12 -0.37 0.00 0.00 0.00 0.00 53.44 48.95 1zrr n ALA 46 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 19.45 16.12 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 2.37 3.42 -1.18 0.00 0.00 -1.26 -5.01 121.76 120.09 1zrr s ALA 47 Ca 0.46 -2.93 -0.22 0.00 0.00 0.00 0.00 51.96 49.28 1zrr s ALA 47 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.44 1zrr s ALA 47 CO 0.03 -1.98 1.91 -0.35 0.00 0.00 0.00 175.76 175.37 1zrr n PRO 48 N 4.04 1.77 -3.54 0.00 -0.04 -1.26 -4.80 135.00 131.16 1zrr n PRO 48 Ca 0.03 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 1zrr n PRO 48 Cb 0.40 -3.67 -0.04 0.00 -0.04 0.00 0.00 33.50 30.15 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 -0.82 -0.05 0.52 -4.23 -1.26 -5.05 115.64 114.78 1zrr s THR 49 Ca 0.66 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 1zrr s THR 49 Cb 0.01 -1.00 -0.31 0.00 1.34 0.00 0.00 72.50 72.54 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 7.83 -0.02 0.00 3.99 0.00 -2.02 -3.27 119.26 125.78 1zrr h ALA 50 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1zrr h ALA 50 Cb 1.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1zrr h ALA 50 CO 0.10 0.57 0.00 0.93 0.00 0.00 0.00 179.25 180.85 1zrr h GLU 51 N -0.27 0.00 0.07 0.00 3.07 -2.00 -2.77 114.58 112.69 1zrr h GLU 51 Ca -0.21 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.38 1zrr h GLU 51 Cb 1.77 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.70 1zrr h GLU 51 CO 0.14 0.00 -1.09 1.15 -1.40 0.00 0.00 179.01 177.82 1zrr h THR 52 N 0.00 1.31 -0.11 1.13 2.02 -1.97 -2.56 112.91 112.73 1zrr h THR 52 Ca 0.00 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.81 1zrr h THR 52 Cb 0.30 2.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1zrr h THR 52 CO 0.00 0.71 -0.01 0.58 0.37 0.00 0.00 175.52 177.17 1zrr h VAL 53 N 0.24 1.27 -0.75 3.16 2.07 -1.54 -1.50 116.25 119.20 1zrr h VAL 53 Ca -0.16 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1zrr h VAL 53 Cb 1.77 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 1zrr h VAL 53 CO 0.21 0.25 0.43 0.40 0.02 0.00 0.00 177.57 178.88 1zrr h ILE 54 N -0.10 1.22 0.00 4.57 1.08 -1.65 -1.06 117.51 121.57 1zrr h ILE 54 Ca 0.03 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1zrr h ILE 54 Cb 0.40 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1zrr h ILE 54 CO 0.01 0.24 -0.09 0.00 -0.69 0.00 0.00 178.15 177.62 1zrr h ALA 55 N 1.22 1.84 0.00 1.87 0.00 -1.32 1.46 119.26 124.33 1zrr h ALA 55 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zrr h ALA 55 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1zrr h ALA 55 CO -0.05 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1zrr h ALA 56 N 1.91 1.00 -0.00 0.00 0.00 -0.12 -3.16 119.26 118.89 1zrr h ALA 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 56 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1zrr h ALA 56 CO 0.01 0.00 -0.21 0.66 0.00 0.00 0.00 179.25 179.71 1zrr n TYR 57 N -2.75 0.00 -0.34 0.00 4.01 -0.09 -4.60 117.16 113.38 1zrr n TYR 57 Ca 0.03 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.99 1zrr n TYR 57 Cb 0.41 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.87 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1zrr h GLN 58 N 0.34 0.43 -0.63 -0.72 1.08 0.20 0.43 115.11 116.23 1zrr h GLN 58 Ca 0.00 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1zrr h GLN 58 Cb 0.18 -0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 27.42 1zrr h GLN 58 CO 0.00 0.28 0.14 1.25 -0.95 0.00 0.00 178.83 179.55 1zrr h HIS 59 N 0.44 0.21 0.80 2.96 -0.00 -1.81 2.15 115.15 119.90 1zrr h HIS 59 Ca 0.69 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 61.06 1zrr h HIS 59 Cb 1.48 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.90 1zrr h HIS 59 CO -0.01 -0.04 -0.39 0.00 -0.00 0.00 0.00 177.93 177.50 1zrr h ALA 60 N 1.51 -1.08 -0.16 5.26 0.00 -0.48 -2.66 119.26 121.64 1zrr h ALA 60 Ca 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1zrr h ALA 60 Cb 0.51 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1zrr h ALA 60 CO -0.42 -1.01 -0.02 -0.84 0.00 0.00 0.00 179.25 176.96 1zrr h ILE 61 N -1.26 1.12 -0.05 0.00 -0.00 -1.14 -0.57 117.51 115.61 1zrr h ILE 61 Ca -0.11 -0.46 0.01 0.00 -0.00 0.00 0.00 64.86 64.31 1zrr h ILE 61 Cb 0.83 1.02 -0.00 0.00 -0.00 0.00 0.00 36.82 38.67 1zrr h ILE 61 CO 0.18 0.15 0.06 -0.78 -0.00 0.00 0.00 178.15 177.76 1zrr h ASP 62 N 0.23 0.00 0.18 2.16 3.58 0.37 -0.86 116.42 122.07 1zrr h ASP 62 Ca 0.05 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.22 1zrr h ASP 62 Cb 0.19 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.26 1zrr h ASP 62 CO 0.01 0.00 -1.19 0.50 -2.88 0.00 0.00 179.24 175.67 1zrr h LYS 63 N 0.00 0.59 -0.60 0.28 3.64 -0.75 -2.53 116.57 117.20 1zrr h LYS 63 Ca 0.02 -0.76 -0.06 0.00 -1.27 0.00 0.00 60.65 58.59 1zrr h LYS 63 Cb 0.14 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1zrr h LYS 63 CO -0.00 1.33 0.14 -0.07 -2.27 0.00 0.00 179.45 178.58 1zrr h LEU 64 N 0.27 0.89 -0.91 5.20 4.07 -1.14 -2.09 115.31 121.60 1zrr h LEU 64 Ca -0.17 -0.17 -0.11 0.00 0.08 0.00 0.00 57.88 57.51 1zrr h LEU 64 Cb 1.86 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.35 1zrr h LEU 64 CO 0.22 0.87 -0.53 0.58 -1.08 0.00 0.00 178.44 178.50 1zrr h VAL 65 N 0.90 1.35 -0.05 1.22 2.07 -1.37 -0.09 116.25 120.28 1zrr h VAL 65 Ca 0.19 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.89 1zrr h VAL 65 Cb 0.34 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1zrr h VAL 65 CO 0.00 0.52 -0.17 0.00 0.02 0.00 0.00 177.57 177.95 1zrr h ALA 66 N 1.47 -0.16 0.00 1.67 0.00 -0.92 1.13 119.26 122.45 1zrr h ALA 66 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1zrr h ALA 66 Cb 0.96 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1zrr h ALA 66 CO 0.07 -0.64 -0.42 0.93 0.00 0.00 0.00 179.25 179.19 1zrr h GLU 67 N -0.25 0.01 -0.38 0.00 4.39 -1.54 -3.33 114.58 113.48 1zrr h GLU 67 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1zrr h GLU 67 Cb 0.34 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1zrr h GLU 67 CO -0.19 1.01 0.00 1.63 -1.16 0.00 0.00 179.01 180.30 1zrr n LYS 68 N -4.54 1.48 0.00 2.33 4.76 -0.05 -4.93 118.16 117.21 1zrr n LYS 68 Ca -0.17 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 54.70 1zrr n LYS 68 Cb 0.55 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 69 N 0.55 0.00 3.84 0.72 0.00 0.39 -4.78 105.19 105.91 1zrr n GLY 69 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1zrr n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zrr s TYR 70 N 0.00 3.33 0.00 1.61 1.51 -1.26 -5.02 117.35 117.53 1zrr s TYR 70 Ca 0.00 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 1zrr s TYR 70 Cb 0.00 -2.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1zrr s TYR 70 CO 0.00 -0.93 0.07 1.04 -1.11 0.00 0.00 175.55 174.63 1zrr n GLN 71 N -2.72 0.00 -4.05 -0.62 1.13 -1.26 -4.83 117.38 105.02 1zrr n GLN 71 Ca 0.07 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.92 1zrr n GLN 71 Cb 0.54 -0.57 -0.03 0.00 0.11 0.00 0.00 30.24 30.28 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 -2.12 5.85 0.01 1.08 0.01 -1.01 -4.99 113.70 112.54 1zrr s SER 72 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1zrr s SER 72 Cb 0.00 -1.59 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1zrr s SER 72 CO 0.00 -0.04 -0.02 0.86 0.41 0.00 0.00 173.24 174.45 1zrr s TRP 73 N -2.04 0.18 0.28 2.43 -0.11 -1.26 0.01 118.94 118.42 1zrr s TRP 73 Ca 0.33 -0.25 -0.15 0.00 1.22 0.00 0.00 56.10 57.25 1zrr s TRP 73 Cb -0.08 -0.12 0.06 0.00 -1.50 0.00 0.00 33.47 31.82 1zrr s TRP 73 CO 0.26 -0.08 0.76 -3.47 -4.62 0.00 0.00 176.95 169.80 1zrr n ASP 74 N 2.37 -1.83 -4.32 5.86 2.03 -1.14 -4.85 116.55 114.67 1zrr n ASP 74 Ca -0.18 -2.17 -0.29 0.00 0.52 0.00 0.00 54.79 52.67 1zrr n ASP 74 Cb 0.58 3.02 -0.15 0.00 -0.72 0.00 0.00 41.12 43.85 1zrr n ASP 74 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1zrr s VAL 75 N -2.18 2.01 -0.33 5.18 0.11 -1.26 -2.63 120.40 121.30 1zrr s VAL 75 Ca 0.16 -1.30 -0.12 0.00 -2.93 0.00 0.00 61.98 57.79 1zrr s VAL 75 Cb -0.04 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 1zrr s VAL 75 CO 0.08 0.36 0.21 -0.51 -3.33 0.00 0.00 175.10 171.91 1zrr s ILE 76 N -0.77 5.01 -0.29 7.04 2.07 -0.13 -4.92 121.20 129.21 1zrr s ILE 76 Ca 0.11 -0.30 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1zrr s ILE 76 Cb -0.10 -3.57 0.19 0.00 0.13 0.00 0.00 42.46 39.12 1zrr s ILE 76 CO 0.02 0.02 0.84 -0.44 -1.91 0.00 0.00 174.94 173.46 1zrr s SER 77 N 1.68 -0.97 0.55 4.50 0.01 -1.26 -1.36 113.70 116.85 1zrr s SER 77 Ca 0.05 0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.54 1zrr s SER 77 Cb -0.17 1.64 0.05 0.00 0.21 0.00 0.00 66.02 67.75 1zrr s SER 77 CO 0.09 -0.18 0.53 -0.22 0.41 0.00 0.00 173.24 173.87 1zrr s LEU 78 N 2.90 2.85 0.13 2.44 2.96 -1.26 -4.98 118.68 123.72 1zrr s LEU 78 Ca 0.18 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 52.83 1zrr s LEU 78 Cb -0.06 -1.35 -0.07 0.00 0.50 0.00 0.00 46.19 45.20 1zrr s LEU 78 CO -0.23 -1.17 0.56 -0.60 -1.32 0.00 0.00 176.35 173.59 1zrr s ARG 79 N -4.40 4.04 0.00 1.98 6.06 -1.26 -4.31 118.95 121.05 1zrr s ARG 79 Ca 0.43 0.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.22 1zrr s ARG 79 Cb -0.03 -2.99 0.00 0.00 0.06 0.00 0.00 34.95 31.98 1zrr s ARG 79 CO 0.27 0.51 0.44 0.00 -2.50 0.00 0.00 175.30 174.02 1zrr n ALA 80 N 1.00 1.43 0.07 6.12 0.00 -1.26 -1.28 120.51 126.58 1zrr n ALA 80 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1zrr n ALA 80 Cb 0.52 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 1zrr n ALA 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1zrr h ASP 81 N 0.00 0.00 -2.70 0.00 3.58 -1.94 -3.44 116.42 111.91 1zrr h ASP 81 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1zrr h ASP 81 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1zrr h ASP 81 CO 0.00 0.75 1.00 0.21 -2.88 0.00 0.00 179.24 178.33 1zrr s ASN 82 N -6.35 6.70 0.00 2.28 2.47 -0.40 -4.87 114.94 114.76 1zrr s ASN 82 Ca 0.00 2.26 0.29 0.00 0.42 0.00 0.00 52.86 55.83 1zrr s ASN 82 Cb 0.09 -2.55 1.18 0.00 -1.45 0.00 0.00 41.25 38.52 1zrr s ASN 82 CO 0.79 -0.87 1.83 -0.81 -3.72 0.00 0.00 177.10 174.33 1zrr n PRO 83 N 6.34 0.86 0.00 0.43 -0.04 -1.26 -3.75 135.00 137.58 1zrr n PRO 83 Ca 0.16 -0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1zrr n PRO 83 Cb 0.42 -1.49 0.50 0.00 -0.04 0.00 0.00 33.50 32.89 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -0.76 1.02 -0.29 0.54 6.02 -1.26 -3.89 117.38 118.76 1zrr n GLN 84 Ca 0.15 -0.53 -0.06 0.00 -0.01 0.00 0.00 57.00 56.56 1zrr n GLN 84 Cb 0.28 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.12 1zrr n GLN 84 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1zrr h LYS 85 N 1.30 1.15 0.43 -1.09 1.79 -1.97 0.70 116.57 118.88 1zrr h LYS 85 Ca 0.00 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1zrr h LYS 85 Cb 0.45 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1zrr h LYS 85 CO 0.00 0.91 -0.21 0.93 -1.08 0.00 0.00 179.45 180.01 1zrr h GLU 86 N 1.12 -0.56 -0.47 3.15 5.08 -1.86 -1.45 114.58 119.59 1zrr h GLU 86 Ca 0.27 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1zrr h GLU 86 Cb 0.17 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1zrr h GLU 86 CO -0.03 -0.35 0.25 0.00 -1.00 0.00 0.00 179.01 177.89 1zrr h ALA 87 N -0.08 1.56 -0.60 3.43 0.00 -1.73 -2.26 119.26 119.57 1zrr h ALA 87 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1zrr h ALA 87 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1zrr h ALA 87 CO 0.10 0.37 0.34 1.25 0.00 0.00 0.00 179.25 181.30 1zrr h LEU 88 N 0.65 0.74 -1.97 0.00 6.46 -0.44 -1.68 115.31 119.08 1zrr h LEU 88 Ca 0.17 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1zrr h LEU 88 Cb 0.03 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1zrr h LEU 88 CO -0.03 0.61 -0.11 0.08 -0.62 0.00 0.00 178.44 178.37 1zrr h ARG 89 N 0.81 0.00 0.70 1.25 0.11 -0.68 -2.78 114.38 113.80 1zrr h ARG 89 Ca 0.21 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.26 1zrr h ARG 89 Cb 0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.11 1zrr h ARG 89 CO -0.04 0.11 -0.34 0.93 0.10 0.00 0.00 179.97 180.73 1zrr h GLU 90 N 0.00 -0.91 -0.54 0.08 5.08 -1.09 0.26 114.58 117.47 1zrr h GLU 90 Ca -0.00 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1zrr h GLU 90 Cb 0.27 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1zrr h GLU 90 CO 0.01 -0.60 0.41 0.87 -1.00 0.00 0.00 179.01 178.70 1zrr h LYS 91 N -1.23 0.00 0.00 2.33 1.57 -1.41 0.55 116.57 118.38 1zrr h LYS 91 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1zrr h LYS 91 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1zrr h LYS 91 CO 0.16 0.00 -0.40 0.35 -0.57 0.00 0.00 179.45 178.99 1zrr h PHE 92 N 0.00 0.00 -0.09 -1.35 3.57 -1.25 -3.28 116.94 114.54 1zrr h PHE 92 Ca 0.26 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 1zrr h PHE 92 Cb 1.07 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1zrr h PHE 92 CO 0.00 0.00 0.10 1.37 -2.23 0.00 0.00 178.31 177.55 1zrr h LEU 93 N 0.00 0.00 -9.75 0.59 8.10 0.38 -3.34 115.31 111.29 1zrr h LEU 93 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.42 1zrr h LEU 93 Cb 0.92 0.00 0.12 0.00 -0.44 0.00 0.00 40.66 41.26 1zrr h LEU 93 CO 0.00 0.00 0.39 0.59 -4.11 0.00 0.00 178.44 175.31 1zrr n ASN 94 N -3.89 2.19 -4.77 0.17 5.03 -1.24 -4.41 115.26 108.34 1zrr n ASN 94 Ca -0.01 1.11 -0.30 0.00 0.87 0.00 0.00 54.58 56.25 1zrr n ASN 94 Cb 0.20 -1.45 0.11 0.00 -1.02 0.00 0.00 39.78 37.62 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1zrr s GLU 95 N -2.08 1.83 0.00 3.52 -1.05 -1.26 -4.68 118.70 114.98 1zrr s GLU 95 Ca 0.61 0.77 -0.02 0.00 -0.15 0.00 0.00 54.97 56.17 1zrr s GLU 95 Cb -0.54 -1.88 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 1zrr s GLU 95 CO 0.58 -1.83 0.11 -2.39 0.95 0.00 0.00 175.26 172.68 1zrr n HIS 96 N -3.59 -0.32 -3.64 4.83 1.44 -0.93 -4.74 115.22 108.27 1zrr n HIS 96 Ca 0.07 -0.08 -0.08 0.00 -2.01 0.00 0.00 57.72 55.62 1zrr n HIS 96 Cb 0.55 0.04 -0.07 0.00 0.12 0.00 0.00 29.99 30.63 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 -2.26 0.00 0.15 0.61 -1.32 -1.22 -2.55 115.64 109.06 1zrr s THR 97 Ca 0.03 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.54 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 1.34 3.29 -1.39 9.09 0.09 -1.26 -3.81 115.29 122.63 1zrr s HIS 98 Ca -0.08 0.04 0.28 0.00 -0.00 0.00 0.00 55.06 55.31 1zrr s HIS 98 Cb -0.05 -1.58 1.42 0.00 -0.00 0.00 0.00 32.58 32.37 1zrr s HIS 98 CO -0.15 0.52 1.98 0.41 -0.00 0.00 0.00 174.74 177.49 1zrr n GLY 99 N -0.38 -1.24 3.52 -2.22 0.00 -1.26 -1.87 105.19 101.74 1zrr n GLY 99 Ca -0.08 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1zrr n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrr s GLU 100 N -2.61 1.78 0.35 1.61 2.02 -1.26 -4.79 118.70 115.81 1zrr s GLU 100 Ca 0.26 -2.00 -0.26 0.00 0.02 0.00 0.00 54.97 52.99 1zrr s GLU 100 Cb 0.19 -1.18 -0.09 0.00 0.10 0.00 0.00 34.13 33.15 1zrr s GLU 100 CO 0.44 -0.13 1.07 -0.51 0.02 0.00 0.00 175.26 176.15 1zrr s ASP 101 N -3.58 6.95 -0.71 -0.19 -0.00 -1.26 -3.93 116.67 113.94 1zrr s ASP 101 Ca 0.36 2.14 -0.14 0.00 -0.00 0.00 0.00 52.55 54.91 1zrr s ASP 101 Cb 0.09 -2.60 0.18 0.00 -0.00 0.00 0.00 42.92 40.59 1zrr s ASP 101 CO 0.16 -0.36 0.64 -1.61 -0.00 0.00 0.00 175.17 174.01 1zrr s GLU 102 N -2.07 3.30 -0.08 8.23 2.02 -0.76 -4.91 118.70 124.43 1zrr s GLU 102 Ca 0.52 -2.20 -0.21 0.00 0.02 0.00 0.00 54.97 53.10 1zrr s GLU 102 Cb -0.26 -4.32 -0.04 0.00 0.10 0.00 0.00 34.13 29.60 1zrr s GLU 102 CO 0.33 -1.29 0.59 0.14 0.02 0.00 0.00 175.26 175.05 1zrr s VAL 103 N 0.65 5.09 -0.14 2.63 -7.23 -1.26 -2.34 120.40 117.79 1zrr s VAL 103 Ca 0.13 1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 61.50 1zrr s VAL 103 Cb -0.18 -3.93 0.04 0.00 0.56 0.00 0.00 36.38 32.87 1zrr s VAL 103 CO -0.05 0.30 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.86 1zrr s ARG 104 N 0.60 1.42 -0.16 4.82 0.52 -1.01 -4.64 118.95 120.49 1zrr s ARG 104 Ca 0.32 -0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 55.05 1zrr s ARG 104 Cb -0.17 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 1zrr s ARG 104 CO 0.15 -0.37 0.11 0.12 0.02 0.00 0.00 175.30 175.33 1zrr s PHE 105 N 1.68 3.43 -0.10 -0.53 5.36 -1.18 -3.09 117.98 123.55 1zrr s PHE 105 Ca 0.02 0.35 -0.21 0.00 -0.96 0.00 0.00 56.93 56.13 1zrr s PHE 105 Cb -0.14 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1zrr s PHE 105 CO -0.08 0.43 0.61 0.12 -1.46 0.00 0.00 175.22 174.84 1zrr s PHE 106 N -0.20 3.53 -0.13 10.12 2.19 -1.26 -0.59 117.98 131.64 1zrr s PHE 106 Ca 0.10 1.08 0.07 0.00 0.33 0.00 0.00 56.93 58.51 1zrr s PHE 106 Cb -0.12 -2.71 -0.13 0.00 -1.31 0.00 0.00 43.02 38.75 1zrr s PHE 106 CO 0.01 0.09 -0.02 0.28 1.83 0.00 0.00 175.22 177.40 1zrr n VAL 107 N 3.84 0.86 -3.52 3.12 0.31 0.72 -4.59 118.33 119.07 1zrr n VAL 107 Ca -0.03 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 1zrr n VAL 107 Cb 0.51 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.30 0.74 0.15 5.55 2.12 0.17 -4.91 118.70 120.22 1zrr s GLU 108 Ca -0.11 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1zrr s GLU 108 Cb 0.04 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1zrr s GLU 108 CO 0.45 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1zrr n GLY 109 N -0.02 -2.72 2.91 -1.50 0.00 -1.26 0.22 105.19 102.83 1zrr n GLY 109 Ca -0.09 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.60 0.55 -2.81 4.61 0.00 -1.26 -4.74 120.51 114.26 1zrr n ALA 110 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1zrr n ALA 110 Cb 0.17 0.79 0.00 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.00 1.61 3.13 0.00 0.00 -1.26 -4.95 105.19 103.72 1zrr n GLY 111 Ca -0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1zrr n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zrr s LEU 112 N 0.00 2.08 -0.39 0.99 2.96 -1.26 -4.70 118.68 118.35 1zrr s LEU 112 Ca 0.00 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.07 1zrr s LEU 112 Cb 0.00 0.51 0.14 0.00 0.50 0.00 0.00 46.19 47.35 1zrr s LEU 112 CO 0.00 -0.64 0.25 -0.36 -1.32 0.00 0.00 176.35 174.28 1zrr s PHE 113 N -3.82 1.17 -0.51 5.38 0.40 -1.05 -4.79 117.98 114.75 1zrr s PHE 113 Ca 0.06 -1.98 -0.28 0.00 -0.60 0.00 0.00 56.93 54.12 1zrr s PHE 113 Cb 0.06 -1.20 0.03 0.00 0.51 0.00 0.00 43.02 42.42 1zrr s PHE 113 CO -0.10 -0.81 1.12 0.00 0.70 0.00 0.00 175.22 176.13 1zrr s LEU 115 N 4.50 2.47 -0.32 0.00 1.02 0.12 -4.00 118.68 122.47 1zrr s LEU 115 Ca 0.45 -0.52 -0.08 0.00 0.02 0.00 0.00 54.13 54.00 1zrr s LEU 115 Cb -0.08 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.56 1zrr s LEU 115 CO 0.29 0.01 0.12 -2.28 0.02 0.00 0.00 176.35 174.51 1zrr s HIS 116 N 1.25 3.19 -0.13 0.29 2.46 -1.15 -0.29 115.29 120.91 1zrr s HIS 116 Ca 0.03 -0.99 -0.00 0.00 0.47 0.00 0.00 55.06 54.57 1zrr s HIS 116 Cb -0.14 -2.30 0.03 0.00 -0.13 0.00 0.00 32.58 30.04 1zrr s HIS 116 CO -0.07 -0.60 -0.08 0.42 -2.47 0.00 0.00 174.74 171.94 1zrr s ILE 117 N 1.51 1.16 0.00 0.89 1.01 -1.20 -3.95 121.20 120.62 1zrr s ILE 117 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1zrr s ILE 117 Cb -0.18 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1zrr s ILE 117 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1zrr n GLY 118 N 4.89 1.08 3.17 6.18 0.00 -1.26 -3.64 105.19 115.60 1zrr n GLY 118 Ca -0.13 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 6.33 0.14 1.61 -0.00 -1.26 -4.97 116.67 114.52 1zrr s ASP 119 Ca 0.00 -3.66 -0.25 0.00 -0.00 0.00 0.00 52.55 48.64 1zrr s ASP 119 Cb 0.00 -1.99 0.07 0.00 -0.00 0.00 0.00 42.92 41.00 1zrr s ASP 119 CO 0.00 -0.22 0.87 -0.70 -0.00 0.00 0.00 175.17 175.13 1zrr s GLU 120 N -1.29 1.21 0.01 8.23 2.12 -1.24 -4.62 118.70 123.12 1zrr s GLU 120 Ca 0.28 -0.61 0.06 0.00 0.36 0.00 0.00 54.97 55.05 1zrr s GLU 120 Cb -0.08 0.45 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 1zrr s GLU 120 CO -0.11 -0.55 -0.18 0.08 -0.54 0.00 0.00 175.26 173.96 1zrr s VAL 121 N -3.39 1.41 -0.08 3.70 1.01 -1.09 -3.25 120.40 118.71 1zrr s VAL 121 Ca 0.09 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1zrr s VAL 121 Cb -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1zrr s VAL 121 CO -0.01 0.28 -0.19 -0.36 0.00 0.00 0.00 175.10 174.83 1zrr s PHE 122 N -0.57 2.01 -0.12 5.22 0.08 0.60 -3.17 117.98 122.04 1zrr s PHE 122 Ca 0.06 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 1zrr s PHE 122 Cb -0.07 -1.38 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 1zrr s PHE 122 CO 0.00 -0.32 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.12 1zrr s GLN 123 N 0.41 1.06 -0.10 0.44 -0.21 -0.03 0.12 119.66 121.34 1zrr s GLN 123 Ca -0.15 -0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.03 1zrr s GLN 123 Cb -0.16 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1zrr s GLN 123 CO 0.06 -0.35 0.01 0.08 -2.12 0.00 0.00 175.29 172.97 1zrr s VAL 124 N 1.81 4.38 -0.38 1.09 1.01 -1.14 0.04 120.40 127.22 1zrr s VAL 124 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1zrr s VAL 124 Cb -0.13 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.51 1zrr s VAL 124 CO -0.07 0.58 0.21 -1.48 0.00 0.00 0.00 175.10 174.34 1zrr s LEU 125 N -0.63 1.62 -0.28 3.92 2.34 -1.14 -2.54 118.68 121.97 1zrr s LEU 125 Ca 0.10 -2.26 -0.23 0.00 0.06 0.00 0.00 54.13 51.81 1zrr s LEU 125 Cb -0.12 -0.64 0.12 0.00 -0.56 0.00 0.00 46.19 44.99 1zrr s LEU 125 CO 0.02 -0.31 0.97 0.00 -1.06 0.00 0.00 176.35 175.97 1zrr s GLU 127 N 0.54 2.87 0.24 0.00 -6.30 -1.26 -4.90 118.70 109.90 1zrr s GLU 127 Ca -0.00 -2.31 0.11 0.00 -2.50 0.00 0.00 54.97 50.27 1zrr s GLU 127 Cb -0.05 -4.01 -0.05 0.00 0.00 0.00 0.00 34.13 30.03 1zrr s GLU 127 CO -0.08 -1.22 -0.17 0.21 0.02 0.00 0.00 175.26 174.02 1zrr s LYS 128 N 0.39 1.77 0.00 4.30 2.20 -1.26 -4.96 119.74 122.19 1zrr s LYS 128 Ca 0.14 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.16 1zrr s LYS 128 Cb -0.19 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1zrr s LYS 128 CO -0.04 0.37 0.37 0.09 -0.36 0.00 0.00 175.35 175.77 1zrr n ASN 129 N -0.33 0.00 -4.72 1.43 3.02 -1.26 -4.55 115.26 108.84 1zrr n ASN 129 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 1zrr n ASN 129 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.79 6.72 -0.17 6.41 -4.77 -1.26 -3.34 116.67 118.46 1zrr s ASP 130 Ca 0.00 2.49 -0.08 0.00 -3.30 0.00 0.00 52.55 51.66 1zrr s ASP 130 Cb 0.00 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 39.19 1zrr s ASP 130 CO 0.00 -0.71 0.11 -0.22 0.70 0.00 0.00 175.17 175.06 1zrr s LEU 131 N 0.72 4.16 -0.08 2.11 2.96 0.27 -4.33 118.68 124.50 1zrr s LEU 131 Ca 0.65 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1zrr s LEU 131 Cb -0.40 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.25 1zrr s LEU 131 CO 0.34 0.24 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.93 1zrr s ILE 132 N -0.03 1.48 0.12 6.68 2.07 -1.18 -2.13 121.20 128.21 1zrr s ILE 132 Ca 0.09 -0.68 0.08 0.00 -1.41 0.00 0.00 60.65 58.73 1zrr s ILE 132 Cb -0.12 -1.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.12 1zrr s ILE 132 CO 0.00 0.43 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.83 1zrr s SER 133 N 0.54 2.47 0.08 4.50 0.01 -1.24 -2.41 113.70 117.65 1zrr s SER 133 Ca -0.16 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.40 1zrr s SER 133 Cb -0.17 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1zrr s SER 133 CO 0.06 0.01 0.03 0.68 0.41 0.00 0.00 173.24 174.43 1zrr s VAL 134 N -1.45 4.22 0.59 3.43 -7.23 -0.99 -2.90 120.40 116.07 1zrr s VAL 134 Ca 0.08 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 1zrr s VAL 134 Cb -0.09 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1zrr s VAL 134 CO 0.05 0.14 1.14 -2.16 -0.31 0.00 0.00 175.10 173.96 1zrr s PRO 135 N -2.28 3.07 0.15 4.82 0.04 -1.26 -1.82 135.00 137.71 1zrr s PRO 135 Ca 0.27 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1zrr s PRO 135 Cb -0.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1zrr s PRO 135 CO 0.19 -1.08 1.19 0.00 0.04 0.00 0.00 177.00 177.35 1zrr s ALA 136 N -1.89 3.42 0.00 8.56 0.00 -1.25 -2.94 121.76 127.65 1zrr s ALA 136 Ca 0.72 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1zrr s ALA 136 Cb -0.25 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1zrr s ALA 136 CO 0.33 -0.38 0.00 1.58 0.00 0.00 0.00 175.76 177.29 1zrr n HIS 137 N 2.96 0.00 -3.93 0.00 -0.00 -0.78 -4.93 115.22 108.54 1zrr n HIS 137 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.43 1zrr n HIS 137 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.34 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1zrr s THR 138 N -2.01 4.70 0.20 3.57 2.01 -1.15 -5.01 115.64 117.95 1zrr s THR 138 Ca 0.00 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 1zrr s THR 138 Cb 0.00 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1zrr s THR 138 CO 0.00 0.42 1.51 -2.16 -0.69 0.00 0.00 174.62 173.70 1zrr s PRO 139 N 0.75 4.24 0.02 4.92 0.04 -1.25 -4.66 135.00 139.05 1zrr s PRO 139 Ca 0.04 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1zrr s PRO 139 Cb -0.13 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1zrr s PRO 139 CO 0.02 -0.53 0.99 -3.38 0.04 0.00 0.00 177.00 174.15 1zrr s HIS 140 N 0.66 -0.22 0.00 0.56 -3.43 -1.06 -2.92 115.29 108.89 1zrr s HIS 140 Ca 0.65 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 1zrr s HIS 140 Cb -0.43 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1zrr s HIS 140 CO 0.36 -0.56 0.00 -2.67 -2.00 0.00 0.00 174.74 169.88 1zrr n TRP 141 N -0.32 0.00 -3.50 0.38 2.14 -1.26 -2.18 117.44 112.70 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 1.43 -0.23 -0.08 -2.67 5.36 -1.25 -4.71 117.98 115.83 1zrr s PHE 142 Ca 0.00 0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1zrr s PHE 142 Cb 0.00 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.85 1zrr s PHE 142 CO 0.00 -0.12 0.18 0.16 -1.46 0.00 0.00 175.22 173.99 1zrr s ASP 143 N 1.51 -0.17 -0.20 6.13 -4.77 -1.26 -3.76 116.67 114.14 1zrr s ASP 143 Ca -0.05 0.37 0.16 0.00 -3.30 0.00 0.00 52.55 49.72 1zrr s ASP 143 Cb -0.03 0.29 0.54 0.00 -1.09 0.00 0.00 42.92 42.63 1zrr s ASP 143 CO -0.13 -0.13 1.44 1.15 0.70 0.00 0.00 175.17 178.20 1zrr n MET 144 N 3.87 2.81 0.00 2.11 0.00 -1.26 -4.35 117.12 120.29 1zrr n MET 144 Ca -0.22 -2.90 0.00 0.00 0.00 0.00 0.00 57.70 54.58 1zrr n MET 144 Cb 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zrr n GLY 145 N -0.58 0.00 3.60 3.17 0.00 -1.26 -2.89 105.19 107.23 1zrr n GLY 145 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrr s SER 146 N 0.00 6.58 -0.23 1.61 0.01 -1.26 -4.84 113.70 115.57 1zrr s SER 146 Ca 0.00 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1zrr s SER 146 Cb 0.00 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.89 1zrr s SER 146 CO 0.00 -0.59 -0.12 -1.83 0.41 0.00 0.00 173.24 171.11 1zrr s GLU 147 N 2.86 2.70 -0.50 12.44 4.04 -1.14 -4.96 118.70 134.13 1zrr s GLU 147 Ca 0.30 -1.05 0.02 0.00 0.04 0.00 0.00 54.97 54.28 1zrr s GLU 147 Cb -0.14 -2.82 0.51 0.00 0.02 0.00 0.00 34.13 31.70 1zrr s GLU 147 CO 0.13 -0.39 1.79 -0.35 -1.84 0.00 0.00 175.26 174.60 1zrr n PRO 148 N 4.58 2.59 -1.36 -4.83 -0.04 -1.26 -4.80 135.00 129.88 1zrr n PRO 148 Ca -0.17 -3.34 0.00 0.00 -0.04 0.00 0.00 63.50 59.94 1zrr n PRO 148 Cb 0.46 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 -0.97 -1.81 -4.96 3.54 6.94 -1.26 -4.54 115.26 112.20 1zrr n ASN 149 Ca 0.55 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.88 1zrr n ASN 149 Cb 1.01 -0.91 -0.01 0.00 -2.36 0.00 0.00 39.78 37.52 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1zrr s PHE 150 N -2.91 3.38 -0.08 -2.53 -0.12 -1.26 -4.71 117.98 109.76 1zrr s PHE 150 Ca 0.00 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 1zrr s PHE 150 Cb 0.00 -1.95 0.02 0.00 -0.63 0.00 0.00 43.02 40.46 1zrr s PHE 150 CO 0.00 0.05 -0.08 0.99 -0.05 0.00 0.00 175.22 176.12 1zrr s THR 151 N -2.30 0.93 0.14 -4.49 2.01 0.13 -4.08 115.64 107.99 1zrr s THR 151 Ca 0.42 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1zrr s THR 151 Cb -0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1zrr s THR 151 CO 0.35 0.33 0.17 0.00 -0.69 0.00 0.00 174.62 174.78 1zrr s ALA 152 N 1.15 0.33 -0.16 7.40 0.00 -0.47 -0.20 121.76 129.82 1zrr s ALA 152 Ca -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1zrr s ALA 152 Cb -0.14 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1zrr s ALA 152 CO -0.02 -0.56 -0.04 0.42 0.00 0.00 0.00 175.76 175.56 1zrr s ILE 153 N -3.99 3.77 0.16 0.00 1.01 0.24 -0.95 121.20 121.45 1zrr s ILE 153 Ca 0.18 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1zrr s ILE 153 Cb 0.05 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1zrr s ILE 153 CO -0.01 0.49 -0.02 -0.13 0.00 0.00 0.00 174.94 175.27 1zrr s ARG 154 N 0.50 1.06 -0.03 2.79 0.52 -1.08 -3.11 118.95 119.59 1zrr s ARG 154 Ca -0.04 -1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 53.65 1zrr s ARG 154 Cb -0.14 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 1zrr s ARG 154 CO 0.03 -0.09 0.11 0.42 0.02 0.00 0.00 175.30 175.79 1zrr s ILE 155 N -3.61 5.02 -0.29 1.52 1.01 -1.26 -2.88 121.20 120.71 1zrr s ILE 155 Ca 0.21 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1zrr s ILE 155 Cb 0.06 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1zrr s ILE 155 CO 0.02 0.42 0.36 -0.36 0.00 0.00 0.00 174.94 175.37 1zrr s PHE 156 N -1.17 3.23 0.12 3.97 0.40 0.10 -4.91 117.98 119.72 1zrr s PHE 156 Ca 0.22 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1zrr s PHE 156 Cb -0.12 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 1zrr s PHE 156 CO 0.12 -0.29 -0.04 0.16 0.70 0.00 0.00 175.22 175.88 1zrr s ASP 157 N 1.68 1.12 0.29 1.36 1.47 -1.26 -2.40 116.67 118.94 1zrr s ASP 157 Ca 0.13 -1.07 0.01 0.00 1.18 0.00 0.00 52.55 52.81 1zrr s ASP 157 Cb -0.16 0.11 -0.04 0.00 -0.34 0.00 0.00 42.92 42.50 1zrr s ASP 157 CO 0.11 -0.51 0.47 0.54 0.68 0.00 0.00 175.17 176.46 1zrr s ASN 158 N -3.08 6.33 -0.04 2.11 2.20 -1.26 -5.04 114.94 116.16 1zrr s ASN 158 Ca 0.16 0.37 -0.23 0.00 -0.94 0.00 0.00 52.86 52.22 1zrr s ASN 158 Cb 0.06 -1.99 -0.17 0.00 -2.00 0.00 0.00 41.25 37.15 1zrr s ASN 158 CO -0.02 -0.19 0.99 1.55 -2.94 0.00 0.00 177.10 176.50 1zrr h PRO 159 N 1.15 -0.22 0.00 3.55 0.13 -2.02 -3.17 132.00 131.42 1zrr h PRO 159 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1zrr h PRO 159 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1zrr h PRO 159 CO 0.63 0.20 0.70 1.49 -0.23 0.00 0.00 178.00 180.78 1zrr h GLU 160 N -0.80 0.00 -0.36 0.86 4.81 -2.00 1.55 114.58 118.65 1zrr h GLU 160 Ca -0.02 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1zrr h GLU 160 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1zrr h GLU 160 CO 0.04 0.00 -0.36 0.78 -0.73 0.00 0.00 179.01 178.74 1zrr h GLY 161 N 0.00 0.92 -0.82 1.92 0.00 -1.97 -3.45 103.07 99.66 1zrr h GLY 161 Ca 0.00 -0.91 -0.66 0.00 0.00 0.00 0.00 47.33 45.77 1zrr h GLY 161 CO 0.00 0.82 -0.53 0.66 0.00 0.00 0.00 176.54 177.50 1zrr s TRP 162 N -4.41 2.06 0.09 5.60 -2.14 0.53 -4.70 118.94 115.97 1zrr s TRP 162 Ca -0.10 -0.85 -0.06 0.00 2.66 0.00 0.00 56.10 57.75 1zrr s TRP 162 Cb 0.12 -1.69 -0.05 0.00 -3.10 0.00 0.00 33.47 28.74 1zrr s TRP 162 CO 0.86 0.25 0.33 0.42 -2.66 0.00 0.00 176.95 176.16 1zrr s ILE 163 N -2.81 5.21 0.00 0.66 1.01 -1.25 -4.91 121.20 119.11 1zrr s ILE 163 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1zrr s ILE 163 Cb 0.04 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1zrr s ILE 163 CO 0.09 0.18 0.58 0.00 0.00 0.00 0.00 174.94 175.79 1zrr n ALA 164 N 0.54 -0.22 -2.43 9.38 0.00 -1.26 -3.86 120.51 122.66 1zrr n ALA 164 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1zrr n ALA 164 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 1zrr n ALA 164 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zrr s GLN 165 N -1.79 1.22 -0.25 0.00 -0.21 -1.26 -3.39 119.66 113.98 1zrr s GLN 165 Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 53.97 1zrr s GLN 165 Cb 0.00 -1.14 -0.16 0.00 1.00 0.00 0.00 33.01 32.71 1zrr s GLN 165 CO 0.00 0.22 -0.22 0.34 -2.12 0.00 0.00 175.29 173.50 1zrr n PHE 166 N 0.14 0.00 -0.10 0.91 -0.00 -1.26 -4.65 117.46 112.51 1zrr n PHE 166 Ca -0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.22 1zrr n PHE 166 Cb 0.58 -0.94 -0.14 0.00 -0.00 0.00 0.00 39.48 38.98 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1zrr n THR 167 N -3.28 1.30 0.00 -2.13 -1.04 -1.26 -5.00 114.28 102.88 1zrr n THR 167 Ca -0.44 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 60.84 1zrr n THR 167 Cb 0.96 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zrr n GLY 168 N 1.96 0.17 3.81 3.41 0.00 -1.26 -5.07 105.19 108.21 1zrr n GLY 168 Ca -0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1zrr n GLY 168 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zrr s ASP 169 N -2.30 7.03 -0.67 1.61 1.47 -1.26 -5.02 116.67 117.52 1zrr s ASP 169 Ca 0.00 1.67 -0.03 0.00 1.18 0.00 0.00 52.55 55.37 1zrr s ASP 169 Cb 0.00 -2.53 0.17 0.00 -0.34 0.00 0.00 42.92 40.23 1zrr s ASP 169 CO 0.00 -0.25 0.50 -0.62 0.68 0.00 0.00 175.17 175.48 1zrr s ASP 170 N -2.03 5.35 0.26 2.11 3.68 -1.26 -4.82 116.67 119.96 1zrr s ASP 170 Ca 0.57 -3.01 0.25 0.00 2.13 0.00 0.00 52.55 52.49 1zrr s ASP 170 Cb -0.12 -1.86 0.52 0.00 -1.45 0.00 0.00 42.92 40.01 1zrr s ASP 170 CO 0.17 -0.34 1.59 0.16 0.13 0.00 0.00 175.17 176.88 1zrr h ILE 171 N 5.06 0.00 -0.88 4.11 3.07 -1.95 -3.25 117.51 123.66 1zrr h ILE 171 Ca 0.02 -0.68 0.10 0.00 1.55 0.00 0.00 64.86 65.84 1zrr h ILE 171 Cb 0.93 1.57 -0.06 0.00 -0.27 0.00 0.00 36.82 38.98 1zrr h ILE 171 CO 0.73 0.00 0.57 0.00 -1.05 0.00 0.00 178.15 178.40 1zrr h ALA 172 N 2.32 1.65 0.00 0.16 0.00 -1.89 0.27 119.26 121.76 1zrr h ALA 172 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 172 Cb 0.84 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zrr h ALA 172 CO 0.00 0.17 0.04 0.43 0.00 0.00 0.00 179.25 179.89 1zrr n SER 173 N -4.53 0.00 0.12 0.00 7.64 -1.23 -1.56 113.62 114.06 1zrr n SER 173 Ca 0.15 0.16 -0.21 0.00 1.01 0.00 0.00 58.87 59.98 1zrr n SER 173 Cb 0.31 -0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 63.20 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zrr h ALA 174 N 1.61 -0.02 -0.25 -0.43 0.00 -0.71 -3.37 119.26 116.10 1zrr h ALA 174 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 1zrr h ALA 174 Cb 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1zrr h ALA 174 CO 0.00 0.85 -0.03 0.66 0.00 0.00 0.00 179.25 180.74 1zrr n TYR 175 N -3.62 0.86 0.31 0.00 4.01 -0.60 -4.80 117.16 113.32 1zrr n TYR 175 Ca -0.15 -1.13 0.20 0.00 -0.16 0.00 0.00 57.90 56.67 1zrr n TYR 175 Cb 1.07 -0.35 1.01 0.00 -0.31 0.00 0.00 39.34 40.76 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 1.31 0.00 -5.78 -0.72 0.13 -1.71 -3.42 132.00 121.81 1zrr h PRO 176 Ca 0.07 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 1zrr h PRO 176 Cb 1.46 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.51 1zrr h PRO 176 CO 0.25 0.00 0.07 1.03 -0.23 0.00 0.00 178.00 179.11 1zrr s ARG 177 N -3.95 4.30 -0.21 0.86 0.52 -1.26 -4.25 118.95 114.96 1zrr s ARG 177 Ca -0.03 0.66 -0.22 0.00 -0.52 0.00 0.00 55.73 55.62 1zrr s ARG 177 Cb 0.11 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1zrr s ARG 177 CO 0.44 -0.08 0.70 -1.17 0.02 0.00 0.00 175.30 175.20 1zrr s LEU 178 N 1.37 4.12 0.00 2.53 0.20 -1.26 -4.89 118.68 120.75 1zrr s LEU 178 Ca 0.31 0.90 0.00 0.00 0.69 0.00 0.00 54.13 56.02 1zrr s LEU 178 Cb -0.16 -2.99 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1zrr s LEU 178 CO 0.12 -0.35 0.00 0.00 -0.29 0.00 0.00 176.35 175.83