#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 4.15 -0.29 7.33 0.00 -1.23 -3.27 121.76 128.45 1zrr s ALA 2 Ca 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 1zrr s ALA 2 Cb 0.00 -1.88 0.18 0.00 0.00 0.00 0.00 23.12 21.42 1zrr s ALA 2 CO 0.00 -0.65 0.54 -1.17 0.00 0.00 0.00 175.76 174.49 1zrr s LEU 3 N -4.64 -1.22 -0.18 0.00 2.96 -0.81 -2.43 118.68 112.36 1zrr s LEU 3 Ca 0.57 0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 55.12 1zrr s LEU 3 Cb -0.10 1.90 -0.03 0.00 0.50 0.00 0.00 46.19 48.47 1zrr s LEU 3 CO 0.37 -0.27 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.22 1zrr s THR 4 N 2.78 3.92 -0.05 3.68 2.01 0.63 -3.20 115.64 125.41 1zrr s THR 4 Ca 0.18 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1zrr s THR 4 Cb -0.15 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 1zrr s THR 4 CO -0.20 0.46 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.32 1zrr s ILE 5 N 0.70 1.96 0.30 1.82 1.01 -1.05 -0.39 121.20 125.55 1zrr s ILE 5 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1zrr s ILE 5 Cb -0.14 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1zrr s ILE 5 CO 0.02 0.55 0.07 -0.36 0.00 0.00 0.00 174.94 175.22 1zrr s PHE 6 N -0.16 1.81 0.72 3.97 0.40 -1.13 -2.16 117.98 121.43 1zrr s PHE 6 Ca -0.03 -1.03 -0.05 0.00 -0.60 0.00 0.00 56.93 55.22 1zrr s PHE 6 Cb -0.13 -1.14 0.09 0.00 0.51 0.00 0.00 43.02 42.35 1zrr s PHE 6 CO 0.03 -0.10 1.02 -1.54 0.70 0.00 0.00 175.22 175.32 1zrr s SER 7 N -3.42 4.53 -0.05 1.36 1.04 -1.21 -2.85 113.70 113.10 1zrr s SER 7 Ca 0.37 0.15 0.05 0.00 0.48 0.00 0.00 55.95 57.00 1zrr s SER 7 Cb 0.08 -0.69 -0.24 0.00 0.10 0.00 0.00 66.02 65.27 1zrr s SER 7 CO 0.15 -1.75 0.64 -0.37 0.98 0.00 0.00 173.24 172.88 1zrr h VAL 8 N -0.63 0.86 -0.20 5.02 -1.51 -1.93 -3.36 116.25 114.51 1zrr h VAL 8 Ca -0.42 -2.65 -0.18 0.00 -1.23 0.00 0.00 66.70 62.22 1zrr h VAL 8 Cb 1.29 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.95 1zrr h VAL 8 CO 0.51 0.66 -0.59 0.11 -1.23 0.00 0.00 177.57 177.02 1zrr h LYS 9 N 0.03 0.65 -3.68 5.19 1.57 -1.96 -3.43 116.57 114.94 1zrr h LYS 9 Ca -0.30 -0.44 -0.38 0.00 -1.87 0.00 0.00 60.65 57.66 1zrr h LYS 9 Cb 2.01 0.06 -0.36 0.00 0.08 0.00 0.00 32.23 34.02 1zrr h LYS 9 CO 0.09 1.06 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.77 1zrr s ASP 10 N -6.95 0.94 0.08 0.86 1.01 -1.26 -5.03 116.67 106.32 1zrr s ASP 10 Ca -0.08 -0.04 0.08 0.00 0.71 0.00 0.00 52.55 53.22 1zrr s ASP 10 Cb 0.11 -0.29 -0.22 0.00 1.01 0.00 0.00 42.92 43.52 1zrr s ASP 10 CO 0.86 -0.15 1.14 1.55 0.21 0.00 0.00 175.17 178.78 1zrr h PRO 11 N 7.76 0.01 0.00 8.23 0.13 -1.85 -3.19 132.00 143.10 1zrr h PRO 11 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1zrr h PRO 11 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1zrr h PRO 11 CO 0.36 0.90 0.00 0.94 -0.23 0.00 0.00 178.00 179.96 1zrr n GLN 12 N -3.29 0.51 -3.97 0.86 7.27 -1.26 -4.50 117.38 113.00 1zrr n GLN 12 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.69 1zrr n GLN 12 Cb 0.97 -1.46 -0.15 0.00 2.41 0.00 0.00 30.24 32.01 1zrr n GLN 12 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1zrr s ASN 13 N -1.96 4.03 -0.22 1.69 2.47 -1.24 -5.08 114.94 114.63 1zrr s ASN 13 Ca 0.23 -0.58 -0.13 0.00 0.42 0.00 0.00 52.86 52.79 1zrr s ASN 13 Cb 0.10 -1.66 -0.04 0.00 -1.45 0.00 0.00 41.25 38.20 1zrr s ASN 13 CO 0.17 -0.05 0.28 -0.94 -3.72 0.00 0.00 177.10 172.85 1zrr s SER 14 N 1.39 6.28 0.04 -4.21 1.04 -1.26 -3.30 113.70 113.69 1zrr s SER 14 Ca 0.04 0.32 0.24 0.00 0.48 0.00 0.00 55.95 57.04 1zrr s SER 14 Cb -0.15 -2.17 0.36 0.00 0.10 0.00 0.00 66.02 64.17 1zrr s SER 14 CO -0.06 -0.00 1.31 0.18 0.98 0.00 0.00 173.24 175.65 1zrr n LEU 15 N 4.34 0.59 -3.16 2.42 4.32 -0.92 -4.78 117.00 119.82 1zrr n LEU 15 Ca -0.12 0.05 0.04 0.00 -0.02 0.00 0.00 56.01 55.96 1zrr n LEU 15 Cb 0.52 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1zrr n LEU 15 CO 0.38 0.06 0.14 0.86 -1.22 0.00 0.00 177.39 177.60 1zrr s TRP 16 N -3.08 -1.65 -0.18 -1.77 -0.00 -1.23 -5.05 118.94 105.97 1zrr s TRP 16 Ca 0.08 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 57.72 1zrr s TRP 16 Cb 0.16 0.49 0.02 0.00 -0.00 0.00 0.00 33.47 34.14 1zrr s TRP 16 CO 0.73 -0.93 -0.18 -1.58 -0.00 0.00 0.00 176.95 174.99 1zrr s HIS 17 N 2.84 2.66 0.22 5.86 5.65 -1.26 -2.53 115.29 128.73 1zrr s HIS 17 Ca 0.18 -1.58 -0.22 0.00 0.25 0.00 0.00 55.06 53.68 1zrr s HIS 17 Cb -0.14 -1.84 0.04 0.00 -1.18 0.00 0.00 32.58 29.46 1zrr s HIS 17 CO -0.22 -0.78 0.72 -1.12 -0.65 0.00 0.00 174.74 172.69 1zrr s SER 18 N 1.33 -0.34 -0.49 9.88 0.01 -1.19 -5.07 113.70 117.82 1zrr s SER 18 Ca 0.04 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1zrr s SER 18 Cb -0.13 0.65 0.15 0.00 0.21 0.00 0.00 66.02 66.90 1zrr s SER 18 CO -0.12 -1.16 0.30 -0.89 0.41 0.00 0.00 173.24 171.78 1zrr s THR 19 N -3.77 1.55 -0.02 1.44 2.01 -1.26 -1.93 115.64 113.67 1zrr s THR 19 Ca 0.08 -2.92 0.04 0.00 0.31 0.00 0.00 61.69 59.20 1zrr s THR 19 Cb -0.04 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1zrr s THR 19 CO 0.00 -0.97 -0.13 0.20 -0.69 0.00 0.00 174.62 173.03 1zrr s ASN 20 N -0.06 1.61 0.12 3.53 0.02 -1.20 -4.71 114.94 114.25 1zrr s ASN 20 Ca 0.21 -0.25 0.11 0.00 -1.02 0.00 0.00 52.86 51.91 1zrr s ASN 20 Cb -0.16 -0.24 -0.15 0.00 0.02 0.00 0.00 41.25 40.72 1zrr s ASN 20 CO -0.06 0.15 1.16 0.00 0.02 0.00 0.00 177.10 178.37 1zrr h ALA 21 N 5.93 0.52 0.00 0.60 0.00 -1.98 -2.90 119.26 121.42 1zrr h ALA 21 Ca -0.34 -0.91 -0.05 0.00 0.00 0.00 0.00 54.91 53.61 1zrr h ALA 21 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zrr h ALA 21 CO 0.49 1.15 -0.30 0.93 0.00 0.00 0.00 179.25 181.52 1zrr h GLU 22 N 0.00 0.00 0.00 0.00 5.08 -1.99 -3.02 114.58 114.65 1zrr h GLU 22 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1zrr h GLU 22 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1zrr h GLU 22 CO 0.10 0.67 0.00 0.93 -1.00 0.00 0.00 179.01 179.71 1zrr h GLU 23 N -1.00 0.00 0.31 2.33 5.08 -1.99 -0.69 114.58 118.63 1zrr h GLU 23 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1zrr h GLU 23 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1zrr h GLU 23 CO -0.04 0.00 -0.15 0.82 -1.00 0.00 0.00 179.01 178.64 1zrr h ILE 24 N 0.00 0.13 -0.94 3.13 2.04 -1.57 0.16 117.51 120.46 1zrr h ILE 24 Ca 0.00 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1zrr h ILE 24 Cb 0.11 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 1zrr h ILE 24 CO 0.00 0.03 0.61 0.06 0.00 0.00 0.00 178.15 178.86 1zrr h GLN 25 N -1.08 1.12 -0.42 2.37 3.07 -1.34 0.32 115.11 119.15 1zrr h GLN 25 Ca -0.04 -0.07 -0.08 0.00 0.09 0.00 0.00 58.65 58.55 1zrr h GLN 25 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 1zrr h GLN 25 CO 0.07 0.74 -0.06 0.37 0.09 0.00 0.00 178.83 180.04 1zrr h GLN 26 N 1.15 0.78 -0.18 0.06 4.15 -1.18 0.40 115.11 120.29 1zrr h GLN 26 Ca 0.38 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1zrr h GLN 26 Cb 0.06 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1zrr h GLN 26 CO -0.13 0.89 -0.03 0.37 -1.93 0.00 0.00 178.83 178.00 1zrr h GLN 27 N 0.60 0.33 0.26 1.69 4.15 0.27 0.16 115.11 122.57 1zrr h GLN 27 Ca 0.11 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1zrr h GLN 27 Cb 0.58 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1zrr h GLN 27 CO 0.03 0.59 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.33 1zrr h LEU 28 N 0.05 -0.29 -2.14 -2.39 -0.00 -0.36 -2.70 115.31 107.49 1zrr h LEU 28 Ca 0.05 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1zrr h LEU 28 Cb 0.46 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1zrr h LEU 28 CO 0.02 0.04 0.00 -1.13 -0.00 0.00 0.00 178.44 177.36 1zrr h ASN 29 N -0.64 0.00 0.27 -0.43 -0.73 -0.23 -0.52 115.58 113.29 1zrr h ASN 29 Ca -0.04 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.05 1zrr h ASN 29 Cb 0.45 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1zrr h ASN 29 CO 0.06 0.00 -0.34 0.00 -0.37 0.00 0.00 177.43 176.78 1zrr h ALA 30 N 2.02 1.32 -0.31 1.57 0.00 -0.34 -1.85 119.26 121.66 1zrr h ALA 30 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1zrr h ALA 30 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zrr h ALA 30 CO 0.00 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1zrr n LYS 31 N -4.10 2.31 -0.79 0.00 4.76 -0.25 -4.84 118.16 115.24 1zrr n LYS 31 Ca -0.02 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 1zrr n LYS 31 Cb 0.41 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.69 0.53 3.87 0.72 0.00 -0.70 -5.02 105.19 105.29 1zrr n GLY 32 Ca 0.12 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 5.05 0.48 1.61 1.01 -0.90 -4.91 120.40 120.74 1zrr s VAL 33 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 1zrr s VAL 33 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1zrr s VAL 33 CO 0.00 0.16 0.89 -0.60 0.00 0.00 0.00 175.10 175.55 1zrr s ARG 34 N -2.25 3.81 -0.07 2.72 6.06 -1.25 -3.60 118.95 124.37 1zrr s ARG 34 Ca 0.38 0.68 -0.19 0.00 -2.50 0.00 0.00 55.73 54.10 1zrr s ARG 34 Cb -0.13 -2.25 0.04 0.00 0.06 0.00 0.00 34.95 32.67 1zrr s ARG 34 CO 0.20 -0.20 0.44 0.12 -2.50 0.00 0.00 175.30 173.36 1zrr s PHE 35 N -2.59 -0.38 0.02 5.12 2.19 -1.26 -4.21 117.98 116.86 1zrr s PHE 35 Ca 0.54 0.74 -0.29 0.00 0.33 0.00 0.00 56.93 58.26 1zrr s PHE 35 Cb -0.10 0.19 0.11 0.00 -1.31 0.00 0.00 43.02 41.90 1zrr s PHE 35 CO 0.35 -0.40 1.24 -2.00 1.83 0.00 0.00 175.22 176.24 1zrr s GLU 36 N -0.84 0.54 -0.19 10.12 2.56 -1.24 -4.95 118.70 124.70 1zrr s GLU 36 Ca -0.09 -0.32 -0.07 0.00 0.00 0.00 0.00 54.97 54.49 1zrr s GLU 36 Cb -0.03 0.17 0.08 0.00 2.00 0.00 0.00 34.13 36.35 1zrr s GLU 36 CO 0.04 -0.25 0.41 -0.98 -0.56 0.00 0.00 175.26 173.93 1zrr s ARG 37 N -2.41 0.33 0.21 4.30 1.70 -1.26 -3.40 118.95 118.42 1zrr s ARG 37 Ca 0.18 0.99 0.09 0.00 -0.47 0.00 0.00 55.73 56.51 1zrr s ARG 37 Cb 0.03 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1zrr s ARG 37 CO -0.02 -0.23 -0.03 -1.58 -1.08 0.00 0.00 175.30 172.35 1zrr s TRP 38 N 2.39 2.72 0.05 5.89 0.51 -1.26 -4.97 118.94 124.27 1zrr s TRP 38 Ca -0.03 -0.19 -0.04 0.00 -2.12 0.00 0.00 56.10 53.72 1zrr s TRP 38 Cb -0.11 -1.28 -0.02 0.00 -0.81 0.00 0.00 33.47 31.24 1zrr s TRP 38 CO -0.13 0.55 0.06 -0.65 -0.51 0.00 0.00 176.95 176.27 1zrr s GLN 39 N -3.16 0.63 0.23 4.98 -0.21 -1.26 -4.72 119.66 116.15 1zrr s GLN 39 Ca 0.28 -0.97 0.04 0.00 0.02 0.00 0.00 55.36 54.73 1zrr s GLN 39 Cb -0.08 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 1zrr s GLN 39 CO 0.18 -0.15 0.36 0.00 -2.12 0.00 0.00 175.29 173.55 1zrr s ALA 40 N -3.31 3.93 -0.66 6.09 0.00 -1.26 -5.00 121.76 121.54 1zrr s ALA 40 Ca 0.01 -1.18 0.22 0.00 0.00 0.00 0.00 51.96 51.01 1zrr s ALA 40 Cb 0.03 -1.76 -0.19 0.00 0.00 0.00 0.00 23.12 21.20 1zrr s ALA 40 CO -0.08 0.28 0.82 -0.40 0.00 0.00 0.00 175.76 176.38 1zrr n ASP 41 N -1.27 0.64 -4.92 0.00 3.85 -1.26 -4.91 116.55 108.67 1zrr n ASP 41 Ca -0.08 -0.56 -0.26 0.00 -0.71 0.00 0.00 54.79 53.17 1zrr n ASP 41 Cb 0.56 1.22 -0.02 0.00 -1.35 0.00 0.00 41.12 41.53 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1zrr s ARG 42 N -3.18 3.55 -0.24 0.11 0.52 -1.26 -5.06 118.95 113.38 1zrr s ARG 42 Ca 0.03 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 54.90 1zrr s ARG 42 Cb 0.15 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 1zrr s ARG 42 CO 0.86 0.21 0.37 0.16 0.02 0.00 0.00 175.30 176.92 1zrr s ASP 43 N -3.55 6.31 0.50 0.23 3.84 -1.26 -5.07 116.67 117.68 1zrr s ASP 43 Ca 0.41 0.36 -0.01 0.00 -0.00 0.00 0.00 52.55 53.31 1zrr s ASP 43 Cb -0.10 -2.21 0.01 0.00 -1.38 0.00 0.00 42.92 39.24 1zrr s ASP 43 CO 0.33 -0.13 0.74 -0.76 -0.00 0.00 0.00 175.17 175.35 1zrr s LEU 44 N 1.73 3.47 0.00 2.11 1.43 -1.26 -5.05 118.68 121.11 1zrr s LEU 44 Ca 0.16 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1zrr s LEU 44 Cb -0.15 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1zrr s LEU 44 CO 0.09 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1zrr n GLY 45 N -2.25 1.63 3.47 -3.19 0.00 -1.26 -5.03 105.19 98.57 1zrr n GLY 45 Ca 0.03 0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 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 3.85 -3.93 4.61 0.00 -1.26 -4.89 120.51 115.89 1zrr n ALA 46 Ca 0.00 -4.10 -0.32 0.00 0.00 0.00 0.00 53.44 49.02 1zrr n ALA 46 Cb 0.00 -3.25 -0.14 0.00 0.00 0.00 0.00 19.45 16.06 1zrr n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zrr s ALA 47 N 2.47 3.20 -1.03 0.00 0.00 -1.26 -5.03 121.76 120.10 1zrr s ALA 47 Ca 0.47 -2.99 -0.24 0.00 0.00 0.00 0.00 51.96 49.20 1zrr s ALA 47 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 1zrr s ALA 47 CO 0.03 -1.91 1.93 -1.25 0.00 0.00 0.00 175.76 174.55 1zrr s PRO 48 N 0.20 2.58 -0.30 0.00 0.04 -1.26 -4.82 135.00 131.44 1zrr s PRO 48 Ca 0.14 -0.72 -0.11 0.00 0.04 0.00 0.00 61.00 60.35 1zrr s PRO 48 Cb -0.23 -5.16 0.16 0.00 0.04 0.00 0.00 34.50 29.31 1zrr s PRO 48 CO -0.03 -3.59 0.81 0.95 0.04 0.00 0.00 177.00 175.18 1zrr s THR 49 N 10.26 -0.75 0.04 1.26 -4.23 -1.26 -5.04 115.64 115.92 1zrr s THR 49 Ca 0.68 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 1zrr s THR 49 Cb -0.04 -1.00 -0.30 0.00 1.34 0.00 0.00 72.50 72.50 1zrr s THR 49 CO 0.05 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.13 1zrr h ALA 50 N 7.80 0.07 0.00 3.99 0.00 -2.03 -3.21 119.26 125.88 1zrr h ALA 50 Ca -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1zrr h ALA 50 Cb 1.12 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1zrr h ALA 50 CO 0.10 0.94 0.00 -1.91 0.00 0.00 0.00 179.25 178.38 1zrr n GLU 51 N -3.57 0.20 0.04 0.00 4.07 -1.26 -3.01 120.64 117.12 1zrr n GLU 51 Ca -0.14 0.45 -0.20 0.00 -0.06 0.00 0.00 57.16 57.21 1zrr n GLU 51 Cb 1.06 -1.90 -0.13 0.00 -0.06 0.00 0.00 31.44 30.40 1zrr n GLU 51 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1zrr h THR 52 N 0.00 1.44 -0.20 6.31 1.35 -1.97 -2.46 112.91 117.39 1zrr h THR 52 Ca 0.00 -2.37 -0.04 0.00 -0.55 0.00 0.00 66.41 63.45 1zrr h THR 52 Cb 0.35 2.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 1zrr h THR 52 CO 0.00 0.69 -0.04 0.58 -0.25 0.00 0.00 175.52 176.50 1zrr h VAL 53 N -0.17 1.28 -0.90 6.82 2.07 -1.63 -0.88 116.25 122.84 1zrr h VAL 53 Ca -0.13 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1zrr h VAL 53 Cb 1.59 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1zrr h VAL 53 CO 0.16 0.30 0.52 0.40 0.02 0.00 0.00 177.57 178.96 1zrr h ILE 54 N 0.10 1.25 -0.01 4.57 2.04 -1.67 -1.10 117.51 122.69 1zrr h ILE 54 Ca 0.05 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1zrr h ILE 54 Cb 0.47 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1zrr h ILE 54 CO 0.02 0.27 -0.30 0.00 0.00 0.00 0.00 178.15 178.14 1zrr h ALA 55 N 1.32 1.48 0.00 1.87 0.00 -1.23 2.12 119.26 124.82 1zrr h ALA 55 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 55 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1zrr h ALA 55 CO -0.06 0.39 -0.14 0.00 0.00 0.00 0.00 179.25 179.45 1zrr h ALA 56 N 1.68 0.94 -0.00 0.00 0.00 0.07 -3.24 119.26 118.70 1zrr h ALA 56 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1zrr h ALA 56 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1zrr h ALA 56 CO 0.04 0.17 -0.20 0.66 0.00 0.00 0.00 179.25 179.92 1zrr n TYR 57 N -3.17 0.00 -0.33 0.00 4.01 -0.75 -4.58 117.16 112.34 1zrr n TYR 57 Ca 0.02 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.99 1zrr n TYR 57 Cb 0.51 0.00 0.50 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 0.38 0.40 -0.42 -0.72 5.75 0.34 0.13 115.11 120.97 1zrr h GLN 58 Ca 0.00 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 1zrr h GLN 58 Cb 0.18 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 1zrr h GLN 58 CO 0.00 0.26 -0.00 1.12 -2.65 0.00 0.00 178.83 177.56 1zrr h HIS 59 N 0.41 -0.03 0.52 3.99 2.07 -1.81 2.39 115.15 122.70 1zrr h HIS 59 Ca 0.61 0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 58.14 1zrr h HIS 59 Cb 1.51 0.08 0.01 0.00 2.57 0.00 0.00 27.41 31.57 1zrr h HIS 59 CO -0.00 -0.09 -0.25 0.00 -3.07 0.00 0.00 177.93 174.52 1zrr h ALA 60 N 1.37 -0.70 0.00 6.11 0.00 -1.08 -2.37 119.26 122.58 1zrr h ALA 60 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 60 Cb 0.29 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1zrr h ALA 60 CO -0.34 -0.87 -0.20 -0.84 0.00 0.00 0.00 179.25 177.00 1zrr h ILE 61 N -0.76 0.83 -0.04 0.00 -0.00 -1.21 -1.70 117.51 114.63 1zrr h ILE 61 Ca -0.07 -0.77 0.01 0.00 -0.00 0.00 0.00 64.86 64.03 1zrr h ILE 61 Cb 0.56 1.45 -0.00 0.00 -0.00 0.00 0.00 36.82 38.84 1zrr h ILE 61 CO 0.12 0.19 0.05 -0.78 -0.00 0.00 0.00 178.15 177.73 1zrr h ASP 62 N 0.00 0.00 0.13 2.16 1.82 0.46 0.10 116.42 121.09 1zrr h ASP 62 Ca -0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 1zrr h ASP 62 Cb 0.44 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1zrr h ASP 62 CO 0.03 0.00 -1.35 0.50 -1.61 0.00 0.00 179.24 176.80 1zrr h LYS 63 N 0.00 0.28 -0.10 0.28 3.64 -1.07 -2.72 116.57 116.88 1zrr h LYS 63 Ca 0.02 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1zrr h LYS 63 Cb 0.12 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1zrr h LYS 63 CO -0.00 1.23 0.01 1.25 -2.27 0.00 0.00 179.45 179.67 1zrr h LEU 64 N -0.25 0.17 -1.42 5.20 6.46 -1.28 -2.64 115.31 121.54 1zrr h LEU 64 Ca -0.28 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.14 1zrr h LEU 64 Cb 1.80 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.67 1zrr h LEU 64 CO 0.10 0.40 -0.29 1.62 -0.62 0.00 0.00 178.44 179.66 1zrr h VAL 65 N -0.08 1.03 -0.68 1.05 3.04 -0.99 -2.05 116.25 117.57 1zrr h VAL 65 Ca 0.03 -1.04 0.08 0.00 -1.01 0.00 0.00 66.70 64.76 1zrr h VAL 65 Cb 0.31 1.59 -0.06 0.00 -2.01 0.00 0.00 31.29 31.12 1zrr h VAL 65 CO 0.00 0.28 0.35 0.00 -1.01 0.00 0.00 177.57 177.19 1zrr h ALA 66 N 1.71 0.92 0.00 3.17 0.00 -1.13 2.29 119.26 126.23 1zrr h ALA 66 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1zrr h ALA 66 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zrr h ALA 66 CO 0.04 -0.03 -0.00 0.93 0.00 0.00 0.00 179.25 180.19 1zrr h GLU 67 N 0.61 0.00 -0.33 0.00 4.39 -1.45 -3.30 114.58 114.50 1zrr h GLU 67 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1zrr h GLU 67 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1zrr h GLU 67 CO -0.24 0.71 0.00 1.63 -1.16 0.00 0.00 179.01 179.96 1zrr n LYS 68 N -4.66 1.36 0.00 2.33 5.02 -0.80 -4.92 118.16 116.49 1zrr n LYS 68 Ca -0.07 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1zrr n LYS 68 Cb 0.34 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.53 0.00 3.82 0.72 0.00 0.77 -4.77 105.19 106.26 1zrr n GLY 69 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 3.13 0.04 1.61 1.51 -1.26 -4.97 117.35 117.41 1zrr s TYR 70 Ca 0.00 1.46 -0.24 0.00 -1.01 0.00 0.00 57.07 57.29 1zrr s TYR 70 Cb 0.00 -2.92 -0.16 0.00 -0.11 0.00 0.00 41.96 38.77 1zrr s TYR 70 CO 0.00 -1.01 1.51 0.37 -1.11 0.00 0.00 175.55 175.31 1zrr h GLN 71 N 0.11 0.05 -5.40 -0.62 5.75 -1.86 -3.43 115.11 109.70 1zrr h GLN 71 Ca -0.46 -0.01 -0.58 0.00 -0.15 0.00 0.00 58.65 57.45 1zrr h GLN 71 Cb 1.21 -0.01 -0.31 0.00 1.07 0.00 0.00 27.48 29.44 1zrr h GLN 71 CO 0.58 0.27 -0.84 -1.12 -2.65 0.00 0.00 178.83 175.07 1zrr s SER 72 N -5.48 2.27 -0.01 -0.69 0.01 -1.11 -5.06 113.70 103.63 1zrr s SER 72 Ca -0.14 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1zrr s SER 72 Cb 0.04 -0.61 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 1zrr s SER 72 CO 0.67 0.17 -0.08 0.86 0.41 0.00 0.00 173.24 175.27 1zrr s TRP 73 N -0.01 0.76 0.00 2.43 -0.11 -1.26 -1.22 118.94 119.53 1zrr s TRP 73 Ca -0.03 -0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.13 1zrr s TRP 73 Cb -0.12 -0.51 0.00 0.00 -1.50 0.00 0.00 33.47 31.35 1zrr s TRP 73 CO 0.02 -0.03 0.00 -3.47 -4.62 0.00 0.00 176.95 168.85 1zrr n ASP 74 N 2.99 0.00 -4.32 5.86 4.64 -1.13 -4.95 116.55 119.64 1zrr n ASP 74 Ca -0.14 -0.89 -0.21 0.00 -1.38 0.00 0.00 54.79 52.17 1zrr n ASP 74 Cb 0.56 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.53 1zrr n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1zrr s VAL 75 N -2.38 1.73 -0.12 5.18 1.01 -1.26 -2.22 120.40 122.34 1zrr s VAL 75 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 61.98 59.89 1zrr s VAL 75 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1zrr s VAL 75 CO 0.00 -0.38 0.39 -0.63 0.00 0.00 0.00 175.10 174.48 1zrr s ILE 76 N -2.22 5.21 0.50 2.22 1.01 -0.77 -4.92 121.20 122.24 1zrr s ILE 76 Ca 0.16 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1zrr s ILE 76 Cb -0.05 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.72 1zrr s ILE 76 CO 0.06 0.40 0.72 -0.94 0.00 0.00 0.00 174.94 175.18 1zrr s SER 77 N 0.26 5.51 -0.05 3.58 1.04 -1.26 -3.65 113.70 119.13 1zrr s SER 77 Ca 0.22 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 1zrr s SER 77 Cb -0.14 -1.12 0.11 0.00 0.10 0.00 0.00 66.02 64.96 1zrr s SER 77 CO 0.08 -0.95 0.92 -0.22 0.98 0.00 0.00 173.24 174.05 1zrr s LEU 78 N -4.66 -0.36 0.01 2.42 2.96 -1.26 -4.95 118.68 112.84 1zrr s LEU 78 Ca 0.54 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1zrr s LEU 78 Cb -0.10 1.97 -0.02 0.00 0.50 0.00 0.00 46.19 48.54 1zrr s LEU 78 CO 0.38 -0.54 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.12 1zrr s ARG 79 N -2.60 1.11 0.00 1.98 3.00 -1.26 -4.52 118.95 116.66 1zrr s ARG 79 Ca 0.03 -0.62 0.11 0.00 -1.00 0.00 0.00 55.73 54.25 1zrr s ARG 79 Cb -0.01 -1.10 0.58 0.00 0.00 0.00 0.00 34.95 34.43 1zrr s ARG 79 CO -0.06 0.29 1.23 0.00 0.00 0.00 0.00 175.30 176.76 1zrr n ALA 80 N 2.40 1.72 0.17 6.12 0.00 -1.26 -1.73 120.51 127.93 1zrr n ALA 80 Ca -0.16 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.25 1zrr n ALA 80 Cb 0.55 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1zrr n ALA 80 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1zrr n ASP 81 N -1.24 0.40 -4.69 0.00 3.85 -1.26 -4.85 116.55 108.76 1zrr n ASP 81 Ca 0.06 -0.70 -0.42 0.00 -0.71 0.00 0.00 54.79 53.02 1zrr n ASP 81 Cb 0.08 0.80 -0.03 0.00 -1.35 0.00 0.00 41.12 40.62 1zrr n ASP 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1zrr s ASN 82 N -1.14 6.52 0.00 -1.12 2.20 -0.71 -4.86 114.94 115.84 1zrr s ASN 82 Ca 0.02 2.60 0.30 0.00 -0.94 0.00 0.00 52.86 54.84 1zrr s ASN 82 Cb 0.03 -2.56 1.69 0.00 -2.00 0.00 0.00 41.25 38.41 1zrr s ASN 82 CO 0.13 -0.94 2.11 -0.81 -2.94 0.00 0.00 177.10 174.64 1zrr n PRO 83 N 5.78 0.74 -0.07 3.55 -0.04 -1.26 -3.31 135.00 140.38 1zrr n PRO 83 Ca 0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1zrr n PRO 83 Cb 0.40 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.74 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.12 1.75 0.10 0.54 6.02 -1.26 -4.17 117.38 119.24 1zrr n GLN 84 Ca 0.19 -1.13 -0.13 0.00 -0.01 0.00 0.00 57.00 55.92 1zrr n GLN 84 Cb 0.16 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.93 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1zrr h LYS 85 N 2.33 -0.16 -0.45 -1.09 2.10 -1.92 0.26 116.57 117.63 1zrr h LYS 85 Ca 0.00 0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.60 1zrr h LYS 85 Cb 0.51 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 1zrr h LYS 85 CO 0.00 -0.09 0.06 1.49 -2.00 0.00 0.00 179.45 178.90 1zrr h GLU 86 N -0.18 0.76 -0.58 0.07 4.57 -1.87 -2.46 114.58 114.89 1zrr h GLU 86 Ca -0.02 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1zrr h GLU 86 Cb 0.14 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1zrr h GLU 86 CO 0.03 0.79 0.30 0.00 -1.18 0.00 0.00 179.01 178.95 1zrr h ALA 87 N 0.94 0.74 -0.46 2.92 0.00 -1.71 -1.41 119.26 120.28 1zrr h ALA 87 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1zrr h ALA 87 Cb 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1zrr h ALA 87 CO 0.01 0.28 0.29 1.25 0.00 0.00 0.00 179.25 181.08 1zrr h LEU 88 N 0.78 0.48 -1.82 0.00 5.85 -0.36 -0.92 115.31 119.32 1zrr h LEU 88 Ca 0.20 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1zrr h LEU 88 Cb 0.08 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1zrr h LEU 88 CO -0.03 0.35 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.20 1zrr h ARG 89 N 0.58 0.00 0.68 1.25 2.43 -1.09 -2.19 114.38 116.04 1zrr h ARG 89 Ca 0.18 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1zrr h ARG 89 Cb -0.03 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1zrr h ARG 89 CO -0.06 0.13 -0.33 0.93 -1.51 0.00 0.00 179.97 179.13 1zrr h GLU 90 N 0.00 -0.88 -0.51 0.20 3.07 -0.07 0.18 114.58 116.58 1zrr h GLU 90 Ca -0.00 0.06 0.12 0.00 -0.50 0.00 0.00 59.36 59.03 1zrr h GLU 90 Cb 0.25 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1zrr h GLU 90 CO 0.02 -0.59 0.35 0.87 -1.40 0.00 0.00 179.01 178.26 1zrr h LYS 91 N -1.19 0.17 0.00 2.33 1.79 -1.34 0.29 116.57 118.61 1zrr h LYS 91 Ca -0.09 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1zrr h LYS 91 Cb 0.70 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1zrr h LYS 91 CO 0.15 0.11 -0.01 0.74 -1.08 0.00 0.00 179.45 179.37 1zrr h PHE 92 N 0.17 0.00 0.00 -1.35 0.05 -1.23 -3.21 116.94 111.37 1zrr h PHE 92 Ca 0.24 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.99 1zrr h PHE 92 Cb 0.72 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.66 1zrr h PHE 92 CO -0.00 0.00 -0.18 1.37 -0.18 0.00 0.00 178.31 179.32 1zrr h LEU 93 N 0.00 0.00 -9.86 1.54 8.10 0.27 -3.21 115.31 112.16 1zrr h LEU 93 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.46 1zrr h LEU 93 Cb 0.91 0.00 0.09 0.00 -0.44 0.00 0.00 40.66 41.22 1zrr h LEU 93 CO 0.00 0.18 0.85 0.54 -4.11 0.00 0.00 178.44 175.89 1zrr s ASN 94 N -6.59 6.36 0.80 0.17 2.20 -1.22 -4.38 114.94 112.27 1zrr s ASN 94 Ca -0.03 2.99 -0.11 0.00 -0.94 0.00 0.00 52.86 54.77 1zrr s ASN 94 Cb 0.14 -2.65 0.07 0.00 -2.00 0.00 0.00 41.25 36.82 1zrr s ASN 94 CO 0.65 -0.90 1.09 -1.83 -2.94 0.00 0.00 177.10 173.17 1zrr s GLU 95 N -1.11 2.06 0.00 3.55 -1.05 -1.26 -4.74 118.70 116.16 1zrr s GLU 95 Ca 0.59 0.73 0.00 0.00 -0.15 0.00 0.00 54.97 56.14 1zrr s GLU 95 Cb -0.47 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1zrr s GLU 95 CO 0.54 -1.66 0.00 -2.39 0.95 0.00 0.00 175.26 172.70 1zrr n HIS 96 N -3.47 -0.28 -3.64 4.83 1.44 -0.97 -4.60 115.22 108.53 1zrr n HIS 96 Ca 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.69 1zrr n HIS 96 Cb 0.56 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 1zrr n HIS 96 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1zrr s THR 97 N -2.37 0.00 0.13 0.61 2.01 -1.25 -2.54 115.64 112.23 1zrr s THR 97 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1zrr s THR 97 CO 0.00 0.00 0.17 -1.00 -0.69 0.00 0.00 174.62 173.10 1zrr s HIS 98 N 1.21 3.28 -1.29 4.92 0.09 -1.26 -1.46 115.29 120.78 1zrr s HIS 98 Ca -0.07 0.06 0.26 0.00 -0.00 0.00 0.00 55.06 55.31 1zrr s HIS 98 Cb -0.05 -1.60 1.24 0.00 -0.00 0.00 0.00 32.58 32.17 1zrr s HIS 98 CO -0.13 0.53 1.86 0.41 -0.00 0.00 0.00 174.74 177.40 1zrr n GLY 99 N -0.18 -1.21 3.52 -2.22 0.00 -0.99 -1.92 105.19 102.19 1zrr n GLY 99 Ca -0.08 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.71 1.79 0.37 1.61 2.02 -1.26 -4.79 118.70 115.73 1zrr s GLU 100 Ca 0.21 -2.02 -0.26 0.00 0.02 0.00 0.00 54.97 52.92 1zrr s GLU 100 Cb 0.17 -1.13 -0.09 0.00 0.10 0.00 0.00 34.13 33.19 1zrr s GLU 100 CO 0.42 -0.17 1.15 -0.51 0.02 0.00 0.00 175.26 176.16 1zrr s ASP 101 N -3.58 6.75 -0.55 -0.19 1.01 -1.26 -3.89 116.67 114.94 1zrr s ASP 101 Ca 0.34 2.32 -0.12 0.00 0.71 0.00 0.00 52.55 55.80 1zrr s ASP 101 Cb 0.08 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.54 1zrr s ASP 101 CO 0.16 -0.52 0.46 -0.70 0.21 0.00 0.00 175.17 174.78 1zrr s GLU 102 N -2.08 2.80 -0.23 8.23 2.12 -0.10 -4.90 118.70 124.54 1zrr s GLU 102 Ca 0.53 -1.90 -0.13 0.00 0.36 0.00 0.00 54.97 53.83 1zrr s GLU 102 Cb -0.31 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 29.94 1zrr s GLU 102 CO 0.39 -1.25 0.27 0.08 -0.54 0.00 0.00 175.26 174.21 1zrr s VAL 103 N 1.16 5.28 -0.09 3.70 1.01 -1.26 -1.88 120.40 128.32 1zrr s VAL 103 Ca 0.07 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1zrr s VAL 103 Cb -0.25 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1zrr s VAL 103 CO -0.01 0.29 -0.13 0.00 0.00 0.00 0.00 175.10 175.25 1zrr s ARG 104 N 1.24 1.92 -0.16 2.72 3.03 -1.09 -4.61 118.95 122.01 1zrr s ARG 104 Ca 0.13 -0.46 -0.04 0.00 2.03 0.00 0.00 55.73 57.38 1zrr s ARG 104 Cb -0.14 -1.66 -0.03 0.00 -1.03 0.00 0.00 34.95 32.09 1zrr s ARG 104 CO 0.06 -0.05 -0.02 0.12 -1.13 0.00 0.00 175.30 174.28 1zrr s PHE 105 N 0.95 3.06 -0.30 5.89 2.19 -1.16 -3.25 117.98 125.35 1zrr s PHE 105 Ca -0.08 -0.27 -0.28 0.00 0.33 0.00 0.00 56.93 56.62 1zrr s PHE 105 Cb -0.15 -1.99 0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1zrr s PHE 105 CO -0.00 -0.03 1.03 -0.06 1.83 0.00 0.00 175.22 177.99 1zrr s PHE 106 N 0.44 3.19 -0.14 10.12 2.99 -1.26 -0.73 117.98 132.58 1zrr s PHE 106 Ca -0.03 1.19 -0.22 0.00 0.00 0.00 0.00 56.93 57.88 1zrr s PHE 106 Cb -0.14 -3.57 -0.25 0.00 0.00 0.00 0.00 43.02 39.07 1zrr s PHE 106 CO 0.02 -0.70 0.53 0.28 -0.00 0.00 0.00 175.22 175.36 1zrr h VAL 107 N 5.67 1.24 -1.97 -0.44 2.07 -1.76 -3.43 116.25 117.63 1zrr h VAL 107 Ca -0.21 -2.32 0.14 0.00 0.82 0.00 0.00 66.70 65.12 1zrr h VAL 107 Cb 1.06 2.78 -0.18 0.00 -1.52 0.00 0.00 31.29 33.44 1zrr h VAL 107 CO 1.01 0.55 0.57 -0.70 0.02 0.00 0.00 177.57 179.02 1zrr s GLU 108 N -2.36 0.66 -0.57 1.57 2.56 -0.32 -4.93 118.70 115.31 1zrr s GLU 108 Ca -0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.97 54.54 1zrr s GLU 108 Cb 0.03 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.43 1zrr s GLU 108 CO 0.69 -0.28 0.50 0.41 -0.56 0.00 0.00 175.26 176.03 1zrr n GLY 109 N -0.03 -0.36 3.23 -1.50 0.00 -1.26 -0.03 105.19 105.25 1zrr n GLY 109 Ca -0.07 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -3.19 2.20 -0.01 4.61 0.00 -1.26 -4.62 121.76 119.50 1zrr s ALA 110 Ca 0.22 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1zrr s ALA 110 Cb -0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1zrr s ALA 110 CO 0.42 0.28 0.01 0.41 0.00 0.00 0.00 175.76 176.88 1zrr n GLY 111 N 3.53 -0.07 3.12 0.00 0.00 -1.26 -3.86 105.19 106.65 1zrr n GLY 111 Ca -0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.10 2.22 -0.32 0.99 0.05 -1.26 -3.52 118.68 112.74 1zrr s LEU 112 Ca -0.01 -0.92 -0.02 0.00 0.05 0.00 0.00 54.13 53.23 1zrr s LEU 112 Cb 0.00 0.40 0.12 0.00 -2.05 0.00 0.00 46.19 44.66 1zrr s LEU 112 CO 0.06 -0.63 0.17 0.12 -0.55 0.00 0.00 176.35 175.51 1zrr s PHE 113 N -3.91 0.59 0.17 3.48 2.19 -0.96 -4.93 117.98 114.62 1zrr s PHE 113 Ca 0.07 -1.27 -0.30 0.00 0.33 0.00 0.00 56.93 55.76 1zrr s PHE 113 Cb 0.07 -0.96 -0.07 0.00 -1.31 0.00 0.00 43.02 40.74 1zrr s PHE 113 CO -0.10 -0.83 1.02 0.00 1.83 0.00 0.00 175.22 177.14 1zrr s LEU 115 N -0.46 -0.18 -0.35 0.00 2.01 0.71 -4.90 118.68 115.51 1zrr s LEU 115 Ca 0.47 0.10 -0.09 0.00 0.01 0.00 0.00 54.13 54.62 1zrr s LEU 115 Cb -0.27 0.49 0.03 0.00 0.01 0.00 0.00 46.19 46.45 1zrr s LEU 115 CO 0.33 -0.29 0.16 -2.28 1.01 0.00 0.00 176.35 175.28 1zrr s HIS 116 N 2.36 3.24 -0.11 0.29 5.65 -1.26 -0.63 115.29 124.82 1zrr s HIS 116 Ca 0.05 -1.14 0.00 0.00 0.25 0.00 0.00 55.06 54.22 1zrr s HIS 116 Cb -0.14 -2.36 0.02 0.00 -1.18 0.00 0.00 32.58 28.92 1zrr s HIS 116 CO -0.10 -0.67 -0.09 0.42 -0.65 0.00 0.00 174.74 173.64 1zrr s ILE 117 N 1.49 1.13 0.00 0.89 -1.09 -1.21 -4.61 121.20 117.80 1zrr s ILE 117 Ca 0.01 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1zrr s ILE 117 Cb -0.19 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.58 1zrr s ILE 117 CO 0.05 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1zrr n GLY 118 N 4.74 1.03 3.10 6.18 0.00 -1.26 -3.59 105.19 115.39 1zrr n GLY 118 Ca -0.15 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 1zrr n GLY 118 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zrr s ASP 119 N -4.00 5.82 0.16 1.61 1.47 -1.26 -4.98 116.67 115.49 1zrr s ASP 119 Ca 0.00 -3.53 -0.25 0.00 1.18 0.00 0.00 52.55 49.96 1zrr s ASP 119 Cb 0.00 -1.90 0.06 0.00 -0.34 0.00 0.00 42.92 40.74 1zrr s ASP 119 CO 0.00 -0.23 0.87 -0.70 0.68 0.00 0.00 175.17 175.79 1zrr s GLU 120 N -1.06 1.27 -0.01 2.11 2.12 -1.24 -4.68 118.70 117.22 1zrr s GLU 120 Ca 0.25 -0.66 0.05 0.00 0.36 0.00 0.00 54.97 54.96 1zrr s GLU 120 Cb -0.10 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1zrr s GLU 120 CO -0.11 -0.58 -0.15 0.08 -0.54 0.00 0.00 175.26 173.97 1zrr s VAL 121 N -3.43 1.18 -0.06 3.70 1.01 -1.13 -3.31 120.40 118.35 1zrr s VAL 121 Ca 0.10 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1zrr s VAL 121 Cb -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1zrr s VAL 121 CO 0.00 0.32 -0.17 -0.36 0.00 0.00 0.00 175.10 174.90 1zrr s PHE 122 N -0.37 1.82 -0.06 5.22 0.08 0.20 -2.85 117.98 122.01 1zrr s PHE 122 Ca 0.06 -0.63 -0.03 0.00 0.12 0.00 0.00 56.93 56.45 1zrr s PHE 122 Cb -0.06 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1zrr s PHE 122 CO -0.00 -0.26 0.12 -0.65 -0.10 0.00 0.00 175.22 174.32 1zrr s GLN 123 N 0.32 -0.00 0.03 0.44 -0.21 0.47 -0.20 119.66 120.52 1zrr s GLN 123 Ca -0.11 0.45 0.02 0.00 0.02 0.00 0.00 55.36 55.74 1zrr s GLN 123 Cb -0.14 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.49 1zrr s GLN 123 CO 0.04 -0.28 0.04 0.14 -2.12 0.00 0.00 175.29 173.10 1zrr s VAL 124 N 2.01 4.34 -0.73 1.09 -7.23 -1.17 0.23 120.40 118.94 1zrr s VAL 124 Ca 0.01 -0.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 1zrr s VAL 124 Cb -0.12 -3.01 0.19 0.00 0.56 0.00 0.00 36.38 34.00 1zrr s VAL 124 CO -0.05 0.26 0.59 0.18 -0.31 0.00 0.00 175.10 175.78 1zrr n LEU 125 N 0.98 3.37 -3.59 1.32 4.77 -1.02 -2.26 117.00 120.57 1zrr n LEU 125 Ca -0.12 -5.24 -0.07 0.00 -0.03 0.00 0.00 56.01 50.55 1zrr n LEU 125 Cb 0.52 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1zrr n LEU 125 CO 0.38 1.78 0.69 0.00 -1.33 0.00 0.00 177.39 178.91 1zrr s GLU 127 N -3.20 2.38 0.08 0.00 4.04 -1.25 -4.62 118.70 116.13 1zrr s GLU 127 Ca 0.08 -1.27 0.07 0.00 0.04 0.00 0.00 54.97 53.88 1zrr s GLU 127 Cb -0.01 -2.99 -0.04 0.00 0.02 0.00 0.00 34.13 31.11 1zrr s GLU 127 CO -0.05 -0.56 -0.12 0.15 -1.84 0.00 0.00 175.26 172.84 1zrr s LYS 128 N 1.18 2.12 0.00 -4.83 -0.14 -1.26 -4.95 119.74 111.86 1zrr s LYS 128 Ca -0.07 -1.00 0.02 0.00 -1.36 0.00 0.00 55.97 53.56 1zrr s LYS 128 Cb -0.19 -2.29 0.11 0.00 -1.68 0.00 0.00 37.83 33.78 1zrr s LYS 128 CO -0.04 0.52 0.61 0.09 -0.76 0.00 0.00 175.35 175.77 1zrr n ASN 129 N 0.95 0.00 -4.78 2.83 3.02 -1.26 -4.70 115.26 111.32 1zrr n ASN 129 Ca -0.14 -0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.02 1zrr n ASN 129 Cb 0.52 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.02 5.42 0.24 6.41 3.84 -1.25 -4.14 116.67 125.17 1zrr s ASP 130 Ca 0.03 2.05 0.08 0.00 -0.00 0.00 0.00 52.55 54.70 1zrr s ASP 130 Cb 0.01 -2.56 -0.05 0.00 -1.38 0.00 0.00 42.92 38.94 1zrr s ASP 130 CO 0.02 -1.42 -0.11 -1.48 -0.00 0.00 0.00 175.17 172.18 1zrr s LEU 131 N -4.41 2.53 0.04 2.11 0.05 -1.22 -4.12 118.68 113.65 1zrr s LEU 131 Ca 0.69 -1.09 0.06 0.00 0.05 0.00 0.00 54.13 53.84 1zrr s LEU 131 Cb -0.21 -0.69 -0.02 0.00 -2.05 0.00 0.00 46.19 43.22 1zrr s LEU 131 CO 0.35 -0.22 -0.16 -0.63 -0.55 0.00 0.00 176.35 175.14 1zrr s ILE 132 N -2.96 1.28 -0.04 1.48 1.09 -1.20 -3.70 121.20 117.15 1zrr s ILE 132 Ca 0.26 -1.05 0.07 0.00 -1.10 0.00 0.00 60.65 58.82 1zrr s ILE 132 Cb 0.01 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.25 1zrr s ILE 132 CO 0.09 0.07 -0.24 -0.55 -0.10 0.00 0.00 174.94 174.21 1zrr s SER 133 N -1.14 3.20 -0.06 3.58 0.15 -1.26 -2.66 113.70 115.52 1zrr s SER 133 Ca 0.03 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1zrr s SER 133 Cb -0.08 -0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 1zrr s SER 133 CO 0.01 0.29 -0.10 -0.69 1.20 0.00 0.00 173.24 173.95 1zrr s VAL 134 N -0.44 3.41 0.54 4.45 1.01 -0.79 -3.83 120.40 124.76 1zrr s VAL 134 Ca 0.05 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1zrr s VAL 134 Cb -0.12 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 1zrr s VAL 134 CO 0.01 0.59 1.10 -2.16 0.00 0.00 0.00 175.10 174.64 1zrr s PRO 135 N -0.78 3.41 0.13 2.72 0.04 -1.26 -0.93 135.00 138.33 1zrr s PRO 135 Ca 0.12 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1zrr s PRO 135 Cb -0.11 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1zrr s PRO 135 CO 0.01 -0.78 1.23 0.00 0.04 0.00 0.00 177.00 177.50 1zrr s ALA 136 N -1.93 3.45 0.00 8.56 0.00 -1.25 -2.95 121.76 127.64 1zrr s ALA 136 Ca 0.70 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1zrr s ALA 136 Cb -0.21 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1zrr s ALA 136 CO 0.27 -0.44 0.00 1.58 0.00 0.00 0.00 175.76 177.17 1zrr n HIS 137 N 3.20 0.00 -3.95 0.00 -0.00 -0.81 -4.93 115.22 108.73 1zrr n HIS 137 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.44 1zrr n HIS 137 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 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 4.65 0.20 3.57 2.01 -1.15 -5.01 115.64 117.90 1zrr s THR 138 Ca 0.00 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 1zrr s THR 138 Cb 0.00 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 1zrr s THR 138 CO 0.00 0.42 1.48 -2.16 -0.69 0.00 0.00 174.62 173.67 1zrr s PRO 139 N 0.75 4.25 0.05 4.92 0.04 -1.26 -4.65 135.00 139.11 1zrr s PRO 139 Ca 0.03 2.30 -0.27 0.00 0.04 0.00 0.00 61.00 63.10 1zrr s PRO 139 Cb -0.13 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.35 1zrr s PRO 139 CO 0.02 -0.49 0.89 -3.38 0.04 0.00 0.00 177.00 174.08 1zrr s HIS 140 N 0.55 -0.30 0.00 0.56 -3.43 -1.05 -4.68 115.29 106.94 1zrr s HIS 140 Ca 0.64 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 1zrr s HIS 140 Cb -0.42 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1zrr s HIS 140 CO 0.37 -0.64 0.00 -2.67 -2.00 0.00 0.00 174.74 169.80 1zrr n TRP 141 N -0.32 0.00 -3.40 0.38 2.14 -1.26 -2.29 117.44 112.69 1zrr n TRP 141 Ca -0.08 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.50 1zrr n TRP 141 Cb 0.62 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.08 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 1.04 -0.70 -0.05 -2.67 2.19 -1.21 -4.96 117.98 111.62 1zrr s PHE 142 Ca 0.00 1.20 -0.02 0.00 0.33 0.00 0.00 56.93 58.44 1zrr s PHE 142 Cb 0.00 0.41 0.03 0.00 -1.31 0.00 0.00 43.02 42.16 1zrr s PHE 142 CO 0.00 -0.35 0.05 0.16 1.83 0.00 0.00 175.22 176.92 1zrr s ASP 143 N 2.47 1.23 -0.11 6.13 1.47 -1.26 -3.94 116.67 122.66 1zrr s ASP 143 Ca -0.02 0.04 0.11 0.00 1.18 0.00 0.00 52.55 53.86 1zrr s ASP 143 Cb -0.06 -0.18 0.51 0.00 -0.34 0.00 0.00 42.92 42.86 1zrr s ASP 143 CO -0.17 -0.25 1.35 0.23 0.68 0.00 0.00 175.17 177.01 1zrr n MET 144 N 5.28 3.13 0.00 2.11 2.81 -1.26 -4.68 117.12 124.50 1zrr n MET 144 Ca -0.04 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.85 1zrr n MET 144 Cb 0.50 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.72 1.62 3.66 3.03 0.00 -1.26 -4.10 105.19 108.86 1zrr n GLY 145 Ca 0.18 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrr s SER 146 N -4.00 6.95 -0.20 1.61 0.15 -1.26 -4.86 113.70 112.10 1zrr s SER 146 Ca 0.00 1.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 1zrr s SER 146 Cb 0.00 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1zrr s SER 146 CO 0.00 -0.53 -0.13 -1.61 1.20 0.00 0.00 173.24 172.17 1zrr s GLU 147 N 2.75 3.17 -0.96 5.44 0.41 -1.26 -4.95 118.70 123.31 1zrr s GLU 147 Ca 0.39 -0.74 -0.00 0.00 -0.41 0.00 0.00 54.97 54.21 1zrr s GLU 147 Cb -0.16 -2.76 0.33 0.00 -1.78 0.00 0.00 34.13 29.76 1zrr s GLU 147 CO 0.09 -0.19 1.72 -0.35 -0.49 0.00 0.00 175.26 176.03 1zrr n PRO 148 N 4.65 5.01 -1.31 0.39 -0.04 -1.26 -4.74 135.00 137.70 1zrr n PRO 148 Ca -0.20 -4.64 0.00 0.00 -0.04 0.00 0.00 63.50 58.63 1zrr n PRO 148 Cb 0.50 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1zrr n PRO 148 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zrr n ASN 149 N -0.11 -1.75 -4.97 3.54 4.05 -1.25 -4.11 115.26 110.64 1zrr n ASN 149 Ca 0.45 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 55.30 1zrr n ASN 149 Cb 0.28 -0.62 -0.00 0.00 1.23 0.00 0.00 39.78 40.66 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 -2.88 2.89 -0.05 1.20 -0.00 -1.26 -4.86 117.98 113.02 1zrr s PHE 150 Ca 0.00 -0.35 0.03 0.00 -0.00 0.00 0.00 56.93 56.61 1zrr s PHE 150 Cb 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 43.02 40.83 1zrr s PHE 150 CO 0.00 -0.21 -0.15 0.99 -0.00 0.00 0.00 175.22 175.85 1zrr s THR 151 N -2.31 1.31 0.06 -4.49 2.01 0.96 -4.17 115.64 109.01 1zrr s THR 151 Ca 0.50 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1zrr s THR 151 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1zrr s THR 151 CO 0.31 0.39 -0.05 0.00 -0.69 0.00 0.00 174.62 174.58 1zrr s ALA 152 N 0.28 0.61 -0.20 7.40 0.00 -1.24 -1.17 121.76 127.45 1zrr s ALA 152 Ca -0.08 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1zrr s ALA 152 Cb -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1zrr s ALA 152 CO 0.03 -0.25 0.00 0.42 0.00 0.00 0.00 175.76 175.96 1zrr s ILE 153 N -3.16 3.99 0.16 0.00 1.01 0.10 -1.85 121.20 121.44 1zrr s ILE 153 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1zrr s ILE 153 Cb 0.02 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1zrr s ILE 153 CO -0.06 0.43 0.01 -0.13 0.00 0.00 0.00 174.94 175.20 1zrr s ARG 154 N 0.97 1.05 -0.15 2.79 3.00 -0.94 -2.97 118.95 122.70 1zrr s ARG 154 Ca 0.02 -1.50 0.02 0.00 0.00 0.00 0.00 55.73 54.26 1zrr s ARG 154 Cb -0.14 -0.14 0.01 0.00 0.00 0.00 0.00 34.95 34.68 1zrr s ARG 154 CO 0.02 -0.16 -0.20 0.42 0.00 0.00 0.00 175.30 175.37 1zrr s ILE 155 N -3.75 2.18 -0.09 1.52 1.01 -1.26 -2.82 121.20 117.98 1zrr s ILE 155 Ca 0.23 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 1zrr s ILE 155 Cb 0.06 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1zrr s ILE 155 CO 0.03 0.54 0.39 -0.36 0.00 0.00 0.00 174.94 175.54 1zrr s PHE 156 N 0.88 3.57 0.24 3.97 0.40 -0.36 -5.00 117.98 121.68 1zrr s PHE 156 Ca -0.05 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1zrr s PHE 156 Cb -0.15 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 40.94 1zrr s PHE 156 CO -0.03 0.35 -0.01 0.16 0.70 0.00 0.00 175.22 176.39 1zrr s ASP 157 N 0.01 2.05 0.42 1.36 3.84 -1.26 -2.74 116.67 120.34 1zrr s ASP 157 Ca 0.22 -1.22 -0.02 0.00 -0.00 0.00 0.00 52.55 51.53 1zrr s ASP 157 Cb -0.15 -0.03 -0.03 0.00 -1.38 0.00 0.00 42.92 41.33 1zrr s ASP 157 CO 0.09 -0.48 0.67 0.54 -0.00 0.00 0.00 175.17 175.99 1zrr s ASN 158 N -3.34 6.21 0.10 2.11 4.22 -1.26 -4.93 114.94 118.05 1zrr s ASN 158 Ca 0.29 0.63 -0.28 0.00 -2.14 0.00 0.00 52.86 51.36 1zrr s ASN 158 Cb 0.05 -2.05 -0.11 0.00 1.28 0.00 0.00 41.25 40.42 1zrr s ASN 158 CO 0.10 -0.47 1.65 1.55 -2.04 0.00 0.00 177.10 177.88 1zrr h PRO 159 N 0.48 -0.48 -0.56 3.55 0.13 -2.01 -1.62 132.00 131.48 1zrr h PRO 159 Ca -0.48 0.03 0.16 0.00 -0.87 0.00 0.00 66.00 64.84 1zrr h PRO 159 Cb 1.22 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1zrr h PRO 159 CO 0.61 -0.32 1.01 1.05 -0.23 0.00 0.00 178.00 180.12 1zrr h GLU 160 N -0.50 0.00 0.00 0.86 4.11 -2.02 0.28 114.58 117.31 1zrr h GLU 160 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1zrr h GLU 160 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1zrr h GLU 160 CO -0.06 0.00 -0.67 0.78 0.07 0.00 0.00 179.01 179.13 1zrr h GLY 161 N 0.00 0.00 -3.76 1.06 0.00 -1.70 -3.48 103.07 95.20 1zrr h GLY 161 Ca 0.27 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.08 1zrr h GLY 161 CO -0.00 0.00 -0.41 0.66 0.00 0.00 0.00 176.54 176.79 1zrr s TRP 162 N -2.20 3.48 0.23 5.60 1.48 0.99 -2.35 118.94 126.17 1zrr s TRP 162 Ca -0.18 0.16 0.06 0.00 -1.06 0.00 0.00 56.10 55.08 1zrr s TRP 162 Cb 0.03 -1.71 -0.03 0.00 -1.16 0.00 0.00 33.47 30.59 1zrr s TRP 162 CO 0.35 0.45 0.24 -1.50 -4.06 0.00 0.00 176.95 172.42 1zrr s ILE 163 N -1.85 4.73 0.00 0.66 2.07 -0.53 -4.53 121.20 121.74 1zrr s ILE 163 Ca 0.36 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 1zrr s ILE 163 Cb -0.11 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 38.95 1zrr s ILE 163 CO 0.29 -0.30 0.41 0.00 -1.91 0.00 0.00 174.94 173.43 1zrr n ALA 164 N -1.10 -0.19 -2.21 1.50 0.00 -1.26 -3.92 120.51 113.33 1zrr n ALA 164 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1zrr n ALA 164 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.65 0.58 -0.25 0.00 -0.21 -1.26 -4.19 119.66 112.68 1zrr s GLN 165 Ca 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.23 1zrr s GLN 165 Cb 0.00 0.18 -0.15 0.00 1.00 0.00 0.00 33.01 34.04 1zrr s GLN 165 CO 0.00 -0.10 -0.24 0.34 -2.12 0.00 0.00 175.29 173.17 1zrr n PHE 166 N 0.31 0.00 -0.02 0.91 -0.00 -1.26 -4.76 117.46 112.64 1zrr n PHE 166 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.27 1zrr n PHE 166 Cb 0.60 -0.95 -0.03 0.00 -0.00 0.00 0.00 39.48 39.11 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 -3.40 0.29 -0.00 -2.13 -1.04 -1.26 -5.02 114.28 101.72 1zrr n THR 167 Ca -0.45 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1zrr n THR 167 Cb 0.95 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 2.96 0.31 3.82 3.41 0.00 -1.26 -5.07 105.19 109.35 1zrr n GLY 168 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.61 7.01 -0.61 1.61 -4.77 -1.26 -4.98 116.67 111.07 1zrr s ASP 169 Ca 0.00 1.62 -0.03 0.00 -3.30 0.00 0.00 52.55 50.84 1zrr s ASP 169 Cb 0.00 -2.50 0.16 0.00 -1.09 0.00 0.00 42.92 39.48 1zrr s ASP 169 CO 0.00 -0.22 0.43 -1.81 0.70 0.00 0.00 175.17 174.27 1zrr s ASP 170 N -2.01 5.26 0.48 2.11 1.01 -1.26 -4.38 116.67 117.88 1zrr s ASP 170 Ca 0.56 -2.80 0.27 0.00 0.71 0.00 0.00 52.55 51.30 1zrr s ASP 170 Cb -0.12 -1.86 0.81 0.00 1.01 0.00 0.00 42.92 42.76 1zrr s ASP 170 CO 0.17 -0.38 1.78 0.16 0.21 0.00 0.00 175.17 177.11 1zrr h ILE 171 N 5.34 0.06 -0.92 0.77 3.07 -1.96 -3.01 117.51 120.87 1zrr h ILE 171 Ca -0.02 -0.83 -0.01 0.00 1.55 0.00 0.00 64.86 65.54 1zrr h ILE 171 Cb 0.96 1.79 -0.04 0.00 -0.27 0.00 0.00 36.82 39.25 1zrr h ILE 171 CO 0.71 0.03 0.52 0.00 -1.05 0.00 0.00 178.15 178.36 1zrr h ALA 172 N 1.97 1.19 0.00 0.16 0.00 -1.90 -1.20 119.26 119.48 1zrr h ALA 172 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1zrr h ALA 172 Cb 0.79 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1zrr h ALA 172 CO 0.00 0.67 0.08 0.43 0.00 0.00 0.00 179.25 180.43 1zrr n SER 173 N -4.34 0.00 0.11 0.00 7.64 -1.14 -0.90 113.62 115.00 1zrr n SER 173 Ca 0.10 0.11 -0.18 0.00 1.01 0.00 0.00 58.87 59.91 1zrr n SER 173 Cb 0.08 -0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.03 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 1.14 0.04 -0.25 -0.43 0.00 -1.42 -3.37 119.26 114.97 1zrr h ALA 174 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1zrr h ALA 174 Cb 0.17 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1zrr h ALA 174 CO 0.00 0.91 -0.00 0.66 0.00 0.00 0.00 179.25 180.82 1zrr n TYR 175 N -3.58 0.90 0.27 0.00 4.01 -0.08 -4.79 117.16 113.90 1zrr n TYR 175 Ca -0.11 -0.89 0.14 0.00 -0.16 0.00 0.00 57.90 56.88 1zrr n TYR 175 Cb 1.05 -0.31 0.76 0.00 -0.31 0.00 0.00 39.34 40.52 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 1.71 0.00 -5.85 -0.72 0.13 -1.72 -3.42 132.00 122.13 1zrr h PRO 176 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.56 1zrr h PRO 176 Cb 1.43 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.48 1zrr h PRO 176 CO 0.21 0.10 0.12 1.03 -0.23 0.00 0.00 178.00 179.23 1zrr s ARG 177 N -4.08 4.32 0.24 0.86 0.52 -1.26 -4.56 118.95 114.99 1zrr s ARG 177 Ca -0.02 0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 55.75 1zrr s ARG 177 Cb 0.12 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.99 1zrr s ARG 177 CO 0.56 -0.10 0.74 -1.17 0.02 0.00 0.00 175.30 175.35 1zrr s LEU 178 N 1.41 4.31 0.00 2.53 2.96 -1.26 -5.01 118.68 123.61 1zrr s LEU 178 Ca 0.33 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1zrr s LEU 178 Cb -0.17 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1zrr s LEU 178 CO 0.13 -0.00 0.00 0.00 -1.32 0.00 0.00 176.35 175.16