#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zba s THR 2 N 0.00 3.94 0.30 12.58 -4.23 -1.26 -5.12 115.64 121.86 1zba s THR 2 Ca 0.00 -0.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.49 1zba s THR 2 Cb 0.00 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1zba s THR 2 CO 0.00 0.21 0.56 0.42 -0.54 0.00 0.00 174.62 175.27 1zba s THR 3 N -1.21 0.00 -0.81 3.99 -4.23 -1.26 -5.08 115.64 107.04 1zba s THR 3 Ca 0.23 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1zba s THR 3 Cb -0.12 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1zba s THR 3 CO 0.15 0.00 1.16 -0.89 -0.54 0.00 0.00 174.62 174.49 1zba s THR 4 N -3.40 4.23 0.39 3.99 2.01 -1.26 -4.89 115.64 116.71 1zba s THR 4 Ca 0.22 -0.60 0.22 0.00 0.31 0.00 0.00 61.69 61.84 1zba s THR 4 Cb -0.02 -4.82 0.23 0.00 0.01 0.00 0.00 72.50 67.89 1zba s THR 4 CO 0.12 -1.64 1.98 1.23 -0.69 0.00 0.00 174.62 175.63 1zba h GLY 5 N 11.71 0.00 2.00 4.40 0.00 -1.98 -3.08 103.07 116.13 1zba h GLY 5 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1zba h GLY 5 CO 1.23 0.00 -0.02 0.83 0.00 0.00 0.00 176.54 178.57 1zba h GLU 6 N 0.00 0.00 0.00 4.80 3.07 -2.00 -1.73 114.58 118.72 1zba h GLU 6 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1zba h GLU 6 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1zba h GLU 6 CO 0.03 0.02 -0.22 0.66 -1.40 0.00 0.00 179.01 178.10 1zba h SER 7 N 0.00 0.00 -0.25 1.42 4.64 -1.97 -3.46 113.55 113.93 1zba h SER 7 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1zba h SER 7 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1zba h SER 7 CO 0.00 0.22 -0.10 0.00 -0.87 0.00 0.00 176.83 176.09 1zba n ALA 8 N -2.23 -0.08 -2.18 5.18 0.00 -0.65 -4.98 120.51 115.56 1zba n ALA 8 Ca -0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1zba n ALA 8 Cb 0.41 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1zba n ALA 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zba s ASP 9 N -2.45 6.98 0.34 0.00 -0.00 -1.26 -4.96 116.67 115.32 1zba s ASP 9 Ca 0.00 2.23 -0.29 0.00 -0.00 0.00 0.00 52.55 54.49 1zba s ASP 9 Cb 0.00 -2.59 -0.12 0.00 -0.00 0.00 0.00 42.92 40.21 1zba s ASP 9 CO 0.00 -0.50 1.40 -2.65 -0.00 0.00 0.00 175.17 173.42 1zba n PRO 10 N 3.29 2.36 -4.04 8.23 -0.02 -1.26 -5.01 135.00 138.54 1zba n PRO 10 Ca 0.08 0.83 -0.25 0.00 -2.02 0.00 0.00 63.50 62.14 1zba n PRO 10 Cb 0.44 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 1zba n PRO 10 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1zba s VAL 11 N -0.86 0.85 -0.31 -1.45 1.01 -1.26 -5.11 120.40 113.27 1zba s VAL 11 Ca 0.57 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1zba s VAL 11 Cb -0.54 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.06 1zba s VAL 11 CO 0.60 0.33 0.07 -0.89 0.00 0.00 0.00 175.10 175.20 1zba s THR 12 N 1.45 1.35 0.71 3.92 2.01 -1.26 -5.12 115.64 118.70 1zba s THR 12 Ca -0.01 -1.66 -0.09 0.00 0.31 0.00 0.00 61.69 60.24 1zba s THR 12 Cb -0.13 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.45 1zba s THR 12 CO -0.04 -0.60 1.05 0.42 -0.69 0.00 0.00 174.62 174.76 1zba s THR 13 N 1.39 2.64 0.18 -0.82 -4.23 -1.26 -5.10 115.64 108.44 1zba s THR 13 Ca 0.09 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1zba s THR 13 Cb -0.18 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1zba s THR 13 CO -0.18 -0.19 0.00 0.42 -0.54 0.00 0.00 174.62 174.13 1zba s THR 14 N -3.31 0.71 -0.89 3.99 -4.23 -1.26 -5.03 115.64 105.61 1zba s THR 14 Ca 0.59 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 59.23 1zba s THR 14 Cb -0.11 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.68 1zba s THR 14 CO 0.47 -0.45 1.35 1.33 -0.54 0.00 0.00 174.62 176.78 1zba n VAL 15 N -0.26 1.32 0.28 2.29 0.24 -1.26 -2.12 118.33 118.82 1zba n VAL 15 Ca -0.06 0.37 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 1zba n VAL 15 Cb 0.63 -1.24 0.83 0.00 -1.47 0.00 0.00 33.84 32.60 1zba n VAL 15 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1zba h GLU 16 N 0.00 0.00 -0.88 7.34 3.07 -1.91 0.87 114.58 123.08 1zba h GLU 16 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1zba h GLU 16 Cb 0.16 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.00 1zba h GLU 16 CO 0.00 0.06 0.57 -0.91 -1.40 0.00 0.00 179.01 177.33 1zba h ASN 17 N 0.00 0.55 -0.05 1.42 4.21 -1.75 -2.06 115.58 117.89 1zba h ASN 17 Ca -0.00 0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1zba h ASN 17 Cb 0.16 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1zba h ASN 17 CO 0.01 0.26 -0.18 0.00 -1.29 0.00 0.00 177.43 176.23 1zba n TYR 18 N -4.54 0.18 0.00 1.19 4.11 -0.87 -4.98 117.16 112.24 1zba n TYR 18 Ca 0.18 -1.21 0.00 0.00 -0.00 0.00 0.00 57.90 56.87 1zba n TYR 18 Cb 0.55 -0.23 0.00 0.00 -0.00 0.00 0.00 39.34 39.66 1zba n TYR 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1zba n GLY 19 N -1.22 0.76 2.95 -7.48 0.00 -0.78 -5.10 105.19 94.32 1zba n GLY 19 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1zba n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zba n GLY 20 N -1.95 -0.37 2.96 -0.02 0.00 0.25 -4.91 105.19 101.15 1zba n GLY 20 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1zba n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zba s ASP 21 N -4.40 2.78 0.25 1.61 -1.08 -1.26 -3.69 116.67 110.88 1zba s ASP 21 Ca 0.54 -0.58 -0.30 0.00 -0.52 0.00 0.00 52.55 51.69 1zba s ASP 21 Cb -0.02 -1.07 -0.09 0.00 -1.46 0.00 0.00 42.92 40.28 1zba s ASP 21 CO 0.37 -0.12 1.26 -0.89 0.52 0.00 0.00 175.17 176.32 1zba s THR 22 N 1.54 3.13 0.36 1.71 2.01 -1.26 -4.96 115.64 118.17 1zba s THR 22 Ca 0.03 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1zba s THR 22 Cb -0.14 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.78 1zba s THR 22 CO -0.09 0.20 0.50 0.00 -0.69 0.00 0.00 174.62 174.54 1zba n GLN 23 N 1.80 0.64 -2.98 4.92 1.13 -1.26 -5.09 117.38 116.54 1zba n GLN 23 Ca 0.03 -1.80 -0.40 0.00 -1.94 0.00 0.00 57.00 52.89 1zba n GLN 23 Cb 0.43 -0.20 -0.05 0.00 0.11 0.00 0.00 30.24 30.53 1zba n GLN 23 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1zba s VAL 24 N -1.26 4.74 0.02 5.09 1.01 -1.26 -5.07 120.40 123.66 1zba s VAL 24 Ca 0.37 1.63 0.07 0.00 0.00 0.00 0.00 61.98 64.05 1zba s VAL 24 Cb -0.03 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1zba s VAL 24 CO 0.24 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.51 1zba s GLN 25 N -0.02 2.13 -0.24 2.72 1.03 -1.26 -5.10 119.66 118.92 1zba s GLN 25 Ca 0.39 -0.93 0.01 0.00 0.04 0.00 0.00 55.36 54.86 1zba s GLN 25 Cb -0.20 -2.19 0.06 0.00 0.03 0.00 0.00 33.01 30.70 1zba s GLN 25 CO 0.23 0.55 -0.06 1.03 -2.54 0.00 0.00 175.29 174.51 1zba s ARG 26 N -1.22 1.68 -0.43 9.60 0.52 -1.26 -5.04 118.95 122.81 1zba s ARG 26 Ca 0.13 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.33 1zba s ARG 26 Cb -0.10 -2.63 0.54 0.00 0.52 0.00 0.00 34.95 33.27 1zba s ARG 26 CO 0.04 -0.61 1.71 0.54 0.02 0.00 0.00 175.30 177.00 1zba n ARG 27 N 4.63 2.39 -0.27 3.54 1.74 -1.26 -4.76 116.66 122.67 1zba n ARG 27 Ca -0.12 -3.29 -0.03 0.00 -0.77 0.00 0.00 57.85 53.64 1zba n ARG 27 Cb 0.44 -2.10 0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1zba n ARG 27 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1zba h HIS 28 N 1.39 0.93 0.00 -1.55 3.86 -1.99 -2.57 115.15 115.22 1zba h HIS 28 Ca 0.46 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1zba h HIS 28 Cb 1.81 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.97 1zba h HIS 28 CO 1.29 0.55 0.00 0.45 0.86 0.00 0.00 177.93 181.08 1zba h HIS 29 N 0.98 0.00 -0.69 2.45 3.86 -2.01 -2.28 115.15 117.45 1zba h HIS 29 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1zba h HIS 29 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1zba h HIS 29 CO -0.03 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.01 1zba n THR 30 N -2.82 1.36 -2.41 2.45 -2.24 -0.97 -4.60 114.28 105.06 1zba n THR 30 Ca 0.00 -1.06 -0.42 0.00 -2.27 0.00 0.00 64.05 60.30 1zba n THR 30 Cb 0.24 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1zba n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zba s ASP 31 N -0.95 7.05 0.12 3.42 2.15 -0.86 -4.95 116.67 122.67 1zba s ASP 31 Ca 0.50 1.99 -0.22 0.00 0.43 0.00 0.00 52.55 55.25 1zba s ASP 31 Cb 0.29 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1zba s ASP 31 CO 0.29 -0.51 1.69 0.58 -0.17 0.00 0.00 175.17 177.05 1zba h VAL 32 N 4.62 0.71 -0.58 1.11 2.07 -1.91 0.54 116.25 122.81 1zba h VAL 32 Ca -0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1zba h VAL 32 Cb 1.20 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1zba h VAL 32 CO 0.83 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.91 1zba h GLY 33 N -0.12 0.89 0.44 2.17 0.00 -1.93 -1.87 103.07 102.65 1zba h GLY 33 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1zba h GLY 33 CO -0.19 0.40 -0.02 -2.75 0.00 0.00 0.00 176.54 173.98 1zba h PHE 34 N 0.82 -0.06 -0.31 5.60 3.04 -1.79 -3.08 116.94 121.16 1zba h PHE 34 Ca 0.20 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1zba h PHE 34 Cb 0.11 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1zba h PHE 34 CO 0.01 0.47 0.00 0.97 -2.02 0.00 0.00 178.31 177.74 1zba h ILE 35 N -0.62 1.18 0.00 1.41 6.09 -0.78 -2.26 117.51 122.53 1zba h ILE 35 Ca -0.01 -0.72 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 1zba h ILE 35 Cb 0.55 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.78 1zba h ILE 35 CO 0.01 0.25 -0.06 0.23 -3.07 0.00 0.00 178.15 175.51 1zba n MET 36 N -4.30 0.01 -2.02 2.19 2.81 -0.72 -4.46 117.12 110.63 1zba n MET 36 Ca 0.01 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.50 1zba n MET 36 Cb 0.23 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1zba n MET 36 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zba n ASP 37 N -1.53 6.21 -3.62 7.83 4.64 -0.85 -4.03 116.55 125.20 1zba n ASP 37 Ca 0.07 -3.02 -0.15 0.00 -1.38 0.00 0.00 54.79 50.32 1zba n ASP 37 Cb 0.34 -1.48 -0.06 0.00 -1.04 0.00 0.00 41.12 38.88 1zba n ASP 37 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zba s ARG 38 N 0.56 0.93 0.35 -0.67 1.70 -1.26 -5.00 118.95 115.55 1zba s ARG 38 Ca 0.48 -0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.34 1zba s ARG 38 Cb 0.14 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 1zba s ARG 38 CO -0.05 -0.30 1.24 -0.06 -1.08 0.00 0.00 175.30 175.05 1zba s PHE 39 N -1.86 3.11 0.03 5.89 0.08 -1.26 -4.50 117.98 119.47 1zba s PHE 39 Ca -0.09 1.49 0.03 0.00 0.12 0.00 0.00 56.93 58.49 1zba s PHE 39 Cb -0.02 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.86 1zba s PHE 39 CO 0.03 -1.55 -0.11 0.54 -0.10 0.00 0.00 175.22 174.03 1zba s VAL 40 N -1.21 0.81 0.19 -0.44 0.11 -0.15 -4.92 120.40 114.78 1zba s VAL 40 Ca 0.51 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1zba s VAL 40 Cb -0.36 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 1zba s VAL 40 CO 0.47 -0.04 0.46 -1.59 -3.33 0.00 0.00 175.10 171.07 1zba s LYS 41 N -0.96 3.69 -0.28 1.54 -2.85 -1.26 -0.66 119.74 118.95 1zba s LYS 41 Ca -0.01 0.06 -0.06 0.00 -1.00 0.00 0.00 55.97 54.96 1zba s LYS 41 Cb -0.07 -2.75 0.01 0.00 -2.06 0.00 0.00 37.83 32.96 1zba s LYS 41 CO 0.01 0.39 0.05 0.42 0.10 0.00 0.00 175.35 176.31 1zba s ILE 42 N -1.76 3.71 -0.00 3.79 -1.09 -0.53 -4.52 121.20 120.79 1zba s ILE 42 Ca 0.44 -0.76 -0.22 0.00 -2.23 0.00 0.00 60.65 57.88 1zba s ILE 42 Cb -0.12 -2.90 -0.19 0.00 -1.58 0.00 0.00 42.46 37.67 1zba s ILE 42 CO 0.24 0.12 1.20 0.78 -1.23 0.00 0.00 174.94 176.04 1zba h ASN 43 N 8.18 0.31 -3.63 3.58 2.35 -1.87 -3.40 115.58 121.10 1zba h ASN 43 Ca -0.32 -0.62 -0.51 0.00 -0.55 0.00 0.00 56.30 54.30 1zba h ASN 43 Cb 1.12 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1zba h ASN 43 CO 0.60 0.88 0.38 -0.94 -1.65 0.00 0.00 177.43 176.70 1zba s SER 44 N -6.23 7.49 0.30 5.81 1.04 -1.26 -5.02 113.70 115.83 1zba s SER 44 Ca -0.15 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.16 1zba s SER 44 Cb 0.03 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1zba s SER 44 CO 0.75 -0.03 0.41 -0.76 0.98 0.00 0.00 173.24 174.59 1zba s LEU 45 N -0.50 0.93 -0.20 2.42 1.43 -1.26 -5.04 118.68 116.46 1zba s LEU 45 Ca 0.45 -1.36 -0.36 0.00 -1.03 0.00 0.00 54.13 51.83 1zba s LEU 45 Cb -0.26 1.31 0.14 0.00 0.03 0.00 0.00 46.19 47.41 1zba s LEU 45 CO 0.32 -1.18 1.27 -0.94 0.23 0.00 0.00 176.35 176.05 1zba s SER 46 N -3.18 -0.09 0.50 2.29 1.04 -1.26 -5.02 113.70 107.97 1zba s SER 46 Ca 0.31 -0.01 0.32 0.00 0.48 0.00 0.00 55.95 57.04 1zba s SER 46 Cb 0.01 0.11 1.43 0.00 0.10 0.00 0.00 66.02 67.67 1zba s SER 46 CO 0.17 -0.18 1.79 1.55 0.98 0.00 0.00 173.24 177.55 1zba h PRO 47 N 2.00 0.10 -5.06 4.02 0.13 -1.87 -3.34 132.00 127.98 1zba h PRO 47 Ca -0.09 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 1zba h PRO 47 Cb 1.16 -0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.91 1zba h PRO 47 CO 0.22 0.07 -0.86 0.99 -0.23 0.00 0.00 178.00 178.19 1zba s THR 48 N -5.10 2.07 -0.05 1.56 2.01 -1.26 -1.93 115.64 112.94 1zba s THR 48 Ca -0.06 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1zba s THR 48 Cb 0.24 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1zba s THR 48 CO 0.80 0.53 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.96 1zba s HIS 49 N 1.29 0.65 -0.27 4.92 2.46 -0.18 -5.01 115.29 119.15 1zba s HIS 49 Ca 0.05 -0.16 -0.19 0.00 0.47 0.00 0.00 55.06 55.23 1zba s HIS 49 Cb -0.13 -0.67 -0.02 0.00 -0.13 0.00 0.00 32.58 31.63 1zba s HIS 49 CO -0.13 -0.23 0.54 0.08 -2.47 0.00 0.00 174.74 172.54 1zba s VAL 50 N 1.27 5.04 -0.25 0.89 1.01 -1.26 -0.74 120.40 126.35 1zba s VAL 50 Ca -0.06 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1zba s VAL 50 Cb -0.14 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1zba s VAL 50 CO -0.02 0.03 1.70 -0.63 0.00 0.00 0.00 175.10 176.18 1zba s ILE 51 N 2.38 3.58 -0.13 2.22 1.01 -0.09 -4.97 121.20 125.20 1zba s ILE 51 Ca 0.22 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.48 1zba s ILE 51 Cb -0.15 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1zba s ILE 51 CO 0.10 -0.33 0.05 -0.62 0.00 0.00 0.00 174.94 174.14 1zba s ASP 52 N 4.97 2.13 0.61 3.58 3.68 -1.26 -1.21 116.67 129.16 1zba s ASP 52 Ca 0.75 -0.44 0.39 0.00 2.13 0.00 0.00 52.55 55.39 1zba s ASP 52 Cb -0.25 -0.37 2.12 0.00 -1.45 0.00 0.00 42.92 42.98 1zba s ASP 52 CO 0.31 -0.29 2.19 -0.07 0.13 0.00 0.00 175.17 177.45 1zba h LEU 53 N 8.35 0.00 0.00 -1.34 4.07 -1.93 -1.54 115.31 122.92 1zba h LEU 53 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1zba h LEU 53 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1zba h LEU 53 CO 0.27 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.86 1zba n MET 54 N -2.90 0.29 -0.01 1.13 2.81 -1.26 -2.21 117.12 114.96 1zba n MET 54 Ca -0.03 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1zba n MET 54 Cb 0.10 -1.50 0.65 0.00 -0.71 0.00 0.00 33.22 31.76 1zba n MET 54 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1zba n GLN 55 N -1.31 1.35 -2.27 0.03 6.02 -0.58 -4.82 117.38 115.80 1zba n GLN 55 Ca 0.10 -0.51 -0.34 0.00 -0.01 0.00 0.00 57.00 56.24 1zba n GLN 55 Cb 0.19 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1zba n GLN 55 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1zba s THR 56 N -1.97 3.52 0.13 5.09 -1.32 -0.94 -4.47 115.64 115.68 1zba s THR 56 Ca 0.39 0.88 -0.30 0.00 -1.21 0.00 0.00 61.69 61.44 1zba s THR 56 Cb 0.20 -3.35 -0.07 0.00 -1.51 0.00 0.00 72.50 67.77 1zba s THR 56 CO 0.32 -0.27 1.20 -2.28 -2.21 0.00 0.00 174.62 171.38 1zba s HIS 57 N -2.03 3.43 -0.27 9.09 2.46 -1.26 -4.92 115.29 121.79 1zba s HIS 57 Ca 0.68 1.35 0.19 0.00 0.47 0.00 0.00 55.06 57.75 1zba s HIS 57 Cb -0.19 -3.43 1.01 0.00 -0.13 0.00 0.00 32.58 29.84 1zba s HIS 57 CO 0.28 -1.28 1.56 0.36 -2.47 0.00 0.00 174.74 173.19 1zba n LYS 58 N 3.22 0.12 0.00 2.88 2.85 -1.26 -2.17 118.16 123.80 1zba n LYS 58 Ca 0.07 0.62 0.04 0.00 -1.05 0.00 0.00 58.31 57.99 1zba n LYS 58 Cb 0.45 -1.92 0.01 0.00 -0.65 0.00 0.00 35.03 32.92 1zba n LYS 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1zba n HIS 59 N -2.16 0.00 -1.81 5.58 8.25 -1.26 -3.45 115.22 120.37 1zba n HIS 59 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 1zba n HIS 59 Cb 0.05 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1zba n HIS 59 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1zba s GLY 60 N -1.14 1.96 0.22 -1.41 0.00 -0.92 -4.76 107.32 101.27 1zba s GLY 60 Ca 0.08 0.31 -0.08 0.00 0.00 0.00 0.00 44.72 45.03 1zba s GLY 60 CO 0.20 0.63 1.73 1.19 0.00 0.00 0.00 173.10 176.85 1zba h ILE 61 N -0.07 0.71 0.01 0.90 2.10 -1.94 0.29 117.51 119.51 1zba h ILE 61 Ca -0.46 -0.13 -0.00 0.00 1.08 0.00 0.00 64.86 65.35 1zba h ILE 61 Cb 1.22 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1zba h ILE 61 CO 0.56 0.07 -0.00 0.58 -1.08 0.00 0.00 178.15 178.28 1zba h VAL 62 N 0.39 1.39 -0.66 2.19 2.07 -1.91 -2.39 116.25 117.32 1zba h VAL 62 Ca 0.34 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1zba h VAL 62 Cb 0.47 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1zba h VAL 62 CO -0.36 0.31 0.27 1.23 0.02 0.00 0.00 177.57 179.05 1zba h GLY 63 N -0.54 1.04 0.76 2.17 0.00 -1.68 0.21 103.07 105.03 1zba h GLY 63 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1zba h GLY 63 CO 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 176.54 176.98 1zba h ALA 64 N 1.34 -0.19 -0.75 3.60 0.00 -0.44 -2.31 119.26 120.52 1zba h ALA 64 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1zba h ALA 64 Cb 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1zba h ALA 64 CO -0.02 -0.48 0.39 -0.07 0.00 0.00 0.00 179.25 179.07 1zba h LEU 65 N -0.43 0.95 -0.46 0.00 4.07 -1.23 -1.80 115.31 116.41 1zba h LEU 65 Ca -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1zba h LEU 65 Cb 0.34 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1zba h LEU 65 CO 0.03 0.79 0.23 0.25 -1.08 0.00 0.00 178.44 178.67 1zba h LEU 66 N 1.04 0.59 -0.70 1.67 5.85 -0.61 -1.73 115.31 121.44 1zba h LEU 66 Ca 0.26 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1zba h LEU 66 Cb 0.06 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1zba h LEU 66 CO -0.04 0.54 0.00 0.54 -0.34 0.00 0.00 178.44 179.14 1zba n ARG 67 N -4.66 0.17 -0.35 1.25 1.74 -0.87 -1.77 116.66 112.17 1zba n ARG 67 Ca 0.01 0.43 0.03 0.00 -0.77 0.00 0.00 57.85 57.56 1zba n ARG 67 Cb 0.10 -1.84 0.17 0.00 -1.02 0.00 0.00 32.46 29.87 1zba n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zba n ALA 68 N -1.74 2.98 -2.86 7.54 0.00 -0.65 -4.70 120.51 121.08 1zba n ALA 68 Ca 0.02 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1zba n ALA 68 Cb 0.20 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 1zba n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zba s ALA 69 N -1.72 0.45 -0.15 0.00 0.00 -0.73 -0.65 121.76 118.95 1zba s ALA 69 Ca 0.23 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 1zba s ALA 69 Cb 0.17 0.03 -0.24 0.00 0.00 0.00 0.00 23.12 23.08 1zba s ALA 69 CO 0.08 -0.02 0.45 1.15 0.00 0.00 0.00 175.76 177.42 1zba h THR 70 N 4.63 1.12 -3.53 0.00 2.02 -0.02 -3.42 112.91 113.72 1zba h THR 70 Ca -0.33 -2.30 -0.63 0.00 0.77 0.00 0.00 66.41 63.92 1zba h THR 70 Cb 1.20 2.64 -0.20 0.00 -1.74 0.00 0.00 68.15 70.05 1zba h THR 70 CO 0.43 0.53 -0.83 -0.31 0.37 0.00 0.00 175.52 175.70 1zba s TYR 71 N -2.38 2.16 0.25 3.16 2.02 -0.98 -1.52 117.35 120.06 1zba s TYR 71 Ca -0.23 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 55.93 1zba s TYR 71 Cb 0.04 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1zba s TYR 71 CO 0.68 0.38 0.52 1.52 -1.57 0.00 0.00 175.55 177.08 1zba s TYR 72 N -1.46 0.22 -0.09 2.71 -0.85 -0.05 -1.14 117.35 116.68 1zba s TYR 72 Ca 0.16 -0.60 -0.19 0.00 -0.52 0.00 0.00 57.07 55.93 1zba s TYR 72 Cb -0.09 0.30 0.04 0.00 0.38 0.00 0.00 41.96 42.59 1zba s TYR 72 CO 0.07 -1.02 0.45 0.12 -1.52 0.00 0.00 175.55 173.65 1zba s PHE 73 N -3.98 -0.42 -0.25 -3.49 2.19 -0.62 -1.34 117.98 110.06 1zba s PHE 73 Ca 0.19 0.86 -0.37 0.00 0.33 0.00 0.00 56.93 57.94 1zba s PHE 73 Cb -0.02 0.19 0.15 0.00 -1.31 0.00 0.00 43.02 42.04 1zba s PHE 73 CO 0.07 -0.38 1.32 -1.54 1.83 0.00 0.00 175.22 176.52 1zba s SER 74 N -0.64 -0.06 0.60 6.13 1.04 -1.26 -1.03 113.70 118.49 1zba s SER 74 Ca -0.07 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1zba s SER 74 Cb -0.03 0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.24 1zba s SER 74 CO 0.04 -0.10 0.61 0.47 0.98 0.00 0.00 173.24 175.24 1zba n ASP 75 N 0.00 0.82 -3.74 7.02 10.43 0.32 -4.26 116.55 127.13 1zba n ASP 75 Ca 0.03 -1.69 -0.11 0.00 2.57 0.00 0.00 54.79 55.59 1zba n ASP 75 Cb 0.57 -0.39 -0.07 0.00 1.84 0.00 0.00 41.12 43.07 1zba n ASP 75 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1zba s LEU 76 N 0.00 0.85 0.01 0.64 2.96 -0.30 -1.49 118.68 121.35 1zba s LEU 76 Ca 0.40 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1zba s LEU 76 Cb -0.02 1.41 -0.01 0.00 0.50 0.00 0.00 46.19 48.06 1zba s LEU 76 CO 0.27 -0.67 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.90 1zba s GLU 77 N -2.92 0.84 0.02 1.98 2.02 0.05 -0.03 118.70 120.66 1zba s GLU 77 Ca -0.02 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1zba s GLU 77 Cb 0.00 -0.81 -0.02 0.00 0.10 0.00 0.00 34.13 33.41 1zba s GLU 77 CO -0.06 0.21 -0.09 0.96 0.02 0.00 0.00 175.26 176.30 1zba s ILE 78 N -0.55 0.69 -0.16 -1.63 -4.36 -0.55 -0.14 121.20 114.51 1zba s ILE 78 Ca 0.02 -0.73 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 1zba s ILE 78 Cb -0.06 -0.65 0.01 0.00 1.25 0.00 0.00 42.46 43.01 1zba s ILE 78 CO 0.00 -0.06 -0.19 -0.69 0.24 0.00 0.00 174.94 174.25 1zba s VAL 79 N -0.73 2.29 -0.09 8.37 1.01 -0.32 -1.00 120.40 129.94 1zba s VAL 79 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1zba s VAL 79 Cb -0.06 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1zba s VAL 79 CO 0.00 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1zba s VAL 80 N 0.94 1.31 -0.34 2.92 1.01 0.30 -1.07 120.40 125.47 1zba s VAL 80 Ca -0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1zba s VAL 80 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1zba s VAL 80 CO -0.04 0.40 0.22 -0.60 0.00 0.00 0.00 175.10 175.08 1zba s ARG 81 N 0.87 3.35 0.09 2.72 3.52 -0.53 -0.71 118.95 128.25 1zba s ARG 81 Ca -0.10 -0.73 -0.07 0.00 -0.13 0.00 0.00 55.73 54.70 1zba s ARG 81 Cb -0.15 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1zba s ARG 81 CO 0.01 -0.48 0.14 -3.38 -0.81 0.00 0.00 175.30 170.78 1zba s HIS 82 N 1.68 0.28 -0.02 5.12 -3.43 -1.26 -0.74 115.29 116.92 1zba s HIS 82 Ca 0.05 -0.73 -0.10 0.00 -0.80 0.00 0.00 55.06 53.48 1zba s HIS 82 Cb -0.18 -0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 30.78 1zba s HIS 82 CO 0.09 -0.52 0.31 -0.51 -2.00 0.00 0.00 174.74 172.10 1zba s ASP 83 N -2.89 6.60 0.37 7.38 -0.00 -0.28 -4.93 116.67 122.93 1zba s ASP 83 Ca 0.07 0.72 0.00 0.00 -0.00 0.00 0.00 52.55 53.34 1zba s ASP 83 Cb 0.06 -2.16 0.00 0.00 -0.00 0.00 0.00 42.92 40.82 1zba s ASP 83 CO -0.09 0.31 0.00 0.61 -0.00 0.00 0.00 175.17 175.99 1zba n GLY 84 N 1.55 -0.46 3.90 0.21 0.00 -1.26 -2.23 105.19 106.90 1zba n GLY 84 Ca -0.14 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1zba n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zba s ASN 85 N -4.00 6.50 -0.17 1.61 0.01 -1.26 -3.97 114.94 113.66 1zba s ASN 85 Ca 0.00 0.66 -0.05 0.00 -0.71 0.00 0.00 52.86 52.76 1zba s ASN 85 Cb 0.00 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 1zba s ASN 85 CO 0.00 -0.02 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.34 1zba s LEU 86 N -2.90 3.40 -0.08 0.60 2.96 -0.43 -4.20 118.68 118.03 1zba s LEU 86 Ca 0.43 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1zba s LEU 86 Cb -0.12 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1zba s LEU 86 CO 0.25 0.15 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.33 1zba s THR 87 N 0.49 2.37 0.12 3.68 2.01 -0.46 0.34 115.64 124.19 1zba s THR 87 Ca -0.01 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.14 1zba s THR 87 Cb -0.14 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1zba s THR 87 CO 0.02 0.56 -0.15 0.86 -0.69 0.00 0.00 174.62 175.22 1zba s TRP 88 N -0.00 2.60 -0.02 4.92 -0.00 0.06 -1.38 118.94 125.11 1zba s TRP 88 Ca -0.07 -0.23 -0.02 0.00 -0.00 0.00 0.00 56.10 55.78 1zba s TRP 88 Cb -0.15 -1.36 0.01 0.00 -0.00 0.00 0.00 33.47 31.97 1zba s TRP 88 CO 0.05 0.41 0.06 0.08 -0.00 0.00 0.00 176.95 177.55 1zba s VAL 89 N -1.23 -0.00 0.79 5.86 1.01 -0.24 -3.66 120.40 122.93 1zba s VAL 89 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1zba s VAL 89 Cb -0.10 -0.09 0.07 0.00 0.00 0.00 0.00 36.38 36.26 1zba s VAL 89 CO 0.12 0.00 1.09 -2.16 0.00 0.00 0.00 175.10 174.15 1zba s PRO 90 N 0.04 2.12 0.11 2.72 0.04 -1.26 -1.27 135.00 137.50 1zba s PRO 90 Ca -0.00 0.79 -0.36 0.00 0.04 0.00 0.00 61.00 61.47 1zba s PRO 90 Cb -0.00 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1zba s PRO 90 CO 0.00 -1.64 1.43 -1.71 0.04 0.00 0.00 177.00 175.12 1zba n ASN 91 N -3.47 2.19 0.00 6.66 2.85 -1.26 -2.25 115.26 119.98 1zba n ASN 91 Ca 0.07 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 1zba n ASN 91 Cb 0.55 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.29 1zba n ASN 91 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zba n GLY 92 N 2.86 0.40 3.82 8.20 0.00 -1.26 -4.94 105.19 114.27 1zba n GLY 92 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1zba n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zba s ALA 93 N -2.05 3.33 0.24 4.61 0.00 -0.96 -5.03 121.76 121.90 1zba s ALA 93 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 1zba s ALA 93 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1zba s ALA 93 CO 0.00 0.30 1.48 -2.14 0.00 0.00 0.00 175.76 175.40 1zba s PRO 94 N -2.43 4.24 0.48 0.00 0.02 -1.26 -4.88 135.00 131.16 1zba s PRO 94 Ca 0.49 2.35 0.22 0.00 0.02 0.00 0.00 61.00 64.09 1zba s PRO 94 Cb -0.14 -3.10 1.25 0.00 0.02 0.00 0.00 34.50 32.53 1zba s PRO 94 CO 0.19 -0.48 1.92 1.49 -0.33 0.00 0.00 177.00 179.79 1zba h GLU 95 N 5.29 0.20 0.00 5.54 4.81 -2.01 0.05 114.58 128.46 1zba h GLU 95 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1zba h GLU 95 Cb 1.22 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1zba h GLU 95 CO 0.80 0.13 -0.03 0.00 -0.73 0.00 0.00 179.01 179.18 1zba h ALA 96 N 1.64 1.66 0.00 2.92 0.00 -2.05 -2.51 119.26 120.93 1zba h ALA 96 Ca 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1zba h ALA 96 Cb 1.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1zba h ALA 96 CO -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 1zba h ALA 97 N 1.97 1.27 0.00 0.00 0.00 -1.34 -2.93 119.26 118.23 1zba h ALA 97 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1zba h ALA 97 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zba h ALA 97 CO 0.00 0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.38 1zba h LEU 98 N 0.00 0.00 0.00 0.00 -0.00 -1.61 -0.26 115.31 113.43 1zba h LEU 98 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1zba h LEU 98 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1zba h LEU 98 CO 0.01 0.00 -0.46 -1.20 -0.00 0.00 0.00 178.44 176.79 1zba n SER 99 N -2.72 0.62 -4.70 -0.43 7.64 -1.10 -4.80 113.62 108.13 1zba n SER 99 Ca -0.02 0.15 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 1zba n SER 99 Cb 0.17 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 1zba n SER 99 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1zba s ASN 100 N -3.95 6.63 0.59 6.43 0.01 -0.11 -4.98 114.94 119.55 1zba s ASN 100 Ca 0.08 0.75 0.36 0.00 -0.71 0.00 0.00 52.86 53.34 1zba s ASN 100 Cb 0.14 -2.29 1.85 0.00 0.41 0.00 0.00 41.25 41.37 1zba s ASN 100 CO 0.68 -0.08 2.18 0.74 -1.51 0.00 0.00 177.10 179.12 1zba h THR 101 N 4.89 0.18 0.00 1.60 2.02 -1.89 -3.09 112.91 116.62 1zba h THR 101 Ca -0.38 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1zba h THR 101 Cb 1.17 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1zba h THR 101 CO 0.75 0.03 0.00 -1.20 0.37 0.00 0.00 175.52 175.47 1zba n SER 102 N -3.27 0.00 -4.86 4.18 7.64 -1.26 -4.35 113.62 111.69 1zba n SER 102 Ca -0.02 0.10 -0.31 0.00 1.01 0.00 0.00 58.87 59.66 1zba n SER 102 Cb 0.18 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1zba n SER 102 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1zba s ASN 103 N -2.71 6.53 -0.38 6.43 -0.87 -1.17 -4.90 114.94 117.87 1zba s ASN 103 Ca 0.21 1.36 -0.38 0.00 -1.57 0.00 0.00 52.86 52.47 1zba s ASN 103 Cb 0.17 -2.42 -0.14 0.00 -0.02 0.00 0.00 41.25 38.84 1zba s ASN 103 CO 0.42 -0.54 2.10 -2.65 -2.57 0.00 0.00 177.10 173.85 1zba n PRO 104 N -1.62 0.81 -4.01 -0.60 -0.02 -1.24 -4.79 135.00 123.53 1zba n PRO 104 Ca 0.05 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1zba n PRO 104 Cb 0.54 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1zba n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1zba s THR 105 N 6.32 1.52 -0.25 3.45 2.01 -1.26 -0.76 115.64 126.67 1zba s THR 105 Ca 1.10 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 1zba s THR 105 Cb -1.06 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1zba s THR 105 CO 0.56 0.44 0.35 0.00 -0.69 0.00 0.00 174.62 175.29 1zba s ALA 106 N 1.51 3.57 0.23 7.40 0.00 0.15 -4.92 121.76 129.70 1zba s ALA 106 Ca 0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1zba s ALA 106 Cb -0.13 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 1zba s ALA 106 CO -0.10 -0.53 1.06 0.71 0.00 0.00 0.00 175.76 176.90 1zba s TYR 107 N 1.79 3.69 -0.15 0.00 2.02 -1.26 -1.32 117.35 122.11 1zba s TYR 107 Ca 0.15 1.72 -0.39 0.00 -0.37 0.00 0.00 57.07 58.18 1zba s TYR 107 Cb -0.15 -3.20 -0.16 0.00 -0.40 0.00 0.00 41.96 38.04 1zba s TYR 107 CO 0.09 -0.31 1.57 -1.71 -1.57 0.00 0.00 175.55 173.62 1zba n ASN 108 N 1.69 1.96 -3.67 2.29 5.15 -1.25 -4.96 115.26 116.46 1zba n ASN 108 Ca -0.00 1.10 -0.16 0.00 -0.60 0.00 0.00 54.58 54.92 1zba n ASN 108 Cb 0.46 -1.13 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 1zba n ASN 108 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1zba s LYS 109 N 2.30 0.05 0.49 1.20 2.20 -1.26 -5.08 119.74 119.64 1zba s LYS 109 Ca 0.94 0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 56.89 1zba s LYS 109 Cb -1.06 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 34.96 1zba s LYS 109 CO 0.60 -0.29 1.26 0.00 -0.36 0.00 0.00 175.35 176.56 1zba s ALA 110 N 2.19 2.94 -0.91 3.13 0.00 -1.26 -2.98 121.76 124.87 1zba s ALA 110 Ca 0.02 1.13 0.23 0.00 0.00 0.00 0.00 51.96 53.34 1zba s ALA 110 Cb -0.12 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.66 1zba s ALA 110 CO -0.06 -0.98 1.13 -0.35 0.00 0.00 0.00 175.76 175.51 1zba n PRO 111 N -0.65 0.07 -3.87 0.00 -0.04 -1.26 -5.05 135.00 124.20 1zba n PRO 111 Ca 0.08 -0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1zba n PRO 111 Cb 0.46 -1.52 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1zba n PRO 111 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1zba n PHE 112 N -1.60 -1.58 -4.56 0.54 1.16 -1.16 -4.76 117.46 105.50 1zba n PHE 112 Ca 0.04 -1.40 -0.33 0.00 -1.87 0.00 0.00 57.45 53.89 1zba n PHE 112 Cb 0.36 0.69 -0.15 0.00 -1.61 0.00 0.00 39.48 38.76 1zba n PHE 112 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1zba s THR 113 N -2.06 2.59 -0.11 1.97 2.01 0.11 -4.80 115.64 115.35 1zba s THR 113 Ca 0.22 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1zba s THR 113 Cb -0.03 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1zba s THR 113 CO 0.07 0.52 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.90 1zba s ARG 114 N 0.80 3.26 0.02 4.92 3.52 -1.26 -0.54 118.95 129.66 1zba s ARG 114 Ca -0.06 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 1zba s ARG 114 Cb -0.15 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1zba s ARG 114 CO -0.00 0.50 0.07 -0.51 -0.81 0.00 0.00 175.30 174.55 1zba s LEU 115 N -0.34 1.88 -0.20 -0.88 1.02 -0.17 -4.99 118.68 114.99 1zba s LEU 115 Ca 0.06 -0.41 -0.05 0.00 0.02 0.00 0.00 54.13 53.76 1zba s LEU 115 Cb -0.12 0.45 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 1zba s LEU 115 CO 0.02 -0.39 -0.01 0.00 0.02 0.00 0.00 176.35 176.00 1zba s ALA 116 N -1.77 2.99 0.06 4.21 0.00 -1.26 -1.48 121.76 124.50 1zba s ALA 116 Ca -0.12 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1zba s ALA 116 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1zba s ALA 116 CO -0.01 -0.20 -0.23 -0.51 0.00 0.00 0.00 175.76 174.82 1zba s LEU 117 N 1.08 2.20 0.42 0.00 1.43 0.96 -5.00 118.68 119.76 1zba s LEU 117 Ca 0.02 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1zba s LEU 117 Cb -0.14 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1zba s LEU 117 CO 0.01 0.17 0.70 -2.16 0.23 0.00 0.00 176.35 175.31 1zba s PRO 118 N -1.38 3.58 0.56 1.29 0.04 -1.26 -1.15 135.00 136.67 1zba s PRO 118 Ca 0.09 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.03 1zba s PRO 118 Cb -0.09 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1zba s PRO 118 CO 0.03 -0.05 1.36 0.98 0.04 0.00 0.00 177.00 179.35 1zba n TYR 119 N -1.84 2.30 -1.26 0.56 9.36 -1.26 -4.79 117.16 120.24 1zba n TYR 119 Ca -0.01 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1zba n TYR 119 Cb 0.55 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1zba n TYR 119 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1zba n THR 120 N -1.10 0.00 -1.93 2.97 5.66 -1.26 -5.08 114.28 113.53 1zba n THR 120 Ca 0.11 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.79 1zba n THR 120 Cb 0.45 0.89 0.02 0.00 -1.55 0.00 0.00 70.33 70.14 1zba n THR 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zba s ALA 121 N 0.00 2.78 -1.94 1.79 0.00 -1.26 -4.48 121.76 118.65 1zba s ALA 121 Ca 0.00 0.25 0.31 0.00 0.00 0.00 0.00 51.96 52.52 1zba s ALA 121 Cb 0.00 -3.19 1.64 0.00 0.00 0.00 0.00 23.12 21.56 1zba s ALA 121 CO 0.00 -0.86 2.08 -0.35 0.00 0.00 0.00 175.76 176.63 1zba n PRO 122 N -2.34 0.96 -3.90 0.00 -0.04 -1.26 -4.85 135.00 123.57 1zba n PRO 122 Ca 0.08 -0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 1zba n PRO 122 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1zba n PRO 122 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1zba s HIS 123 N -2.15 3.50 0.19 0.54 3.76 -1.26 -5.01 115.29 114.86 1zba s HIS 123 Ca 0.41 0.20 0.29 0.00 -0.15 0.00 0.00 55.06 55.81 1zba s HIS 123 Cb 0.21 -1.73 1.21 0.00 1.11 0.00 0.00 32.58 33.39 1zba s HIS 123 CO 0.39 0.52 1.94 0.07 -0.85 0.00 0.00 174.74 176.81 1zba h ARG 124 N 2.45 0.00 -2.79 1.40 0.11 -2.00 -3.45 114.38 110.11 1zba h ARG 124 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 1zba h ARG 124 Cb 1.18 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.12 1zba h ARG 124 CO 0.71 0.13 0.16 0.54 0.10 0.00 0.00 179.97 181.60 1zba s VAL 125 N -3.77 0.01 0.40 0.08 0.11 -1.26 -4.98 120.40 110.99 1zba s VAL 125 Ca -0.00 -0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1zba s VAL 125 Cb 0.10 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1zba s VAL 125 CO 0.59 -0.05 0.23 -0.76 -3.33 0.00 0.00 175.10 171.78 1zba s LEU 126 N -2.30 3.23 0.11 2.54 1.43 -0.45 -4.94 118.68 118.30 1zba s LEU 126 Ca -0.02 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1zba s LEU 126 Cb -0.01 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1zba s LEU 126 CO -0.06 -0.52 -0.15 0.00 0.23 0.00 0.00 176.35 175.85 1zba s ALA 127 N -2.52 1.43 -0.48 4.21 0.00 -1.26 -0.87 121.76 122.27 1zba s ALA 127 Ca 0.42 -1.21 0.23 0.00 0.00 0.00 0.00 51.96 51.40 1zba s ALA 127 Cb 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1zba s ALA 127 CO 0.24 0.14 0.99 0.25 0.00 0.00 0.00 175.76 177.38 1zba n THR 128 N 0.77 0.26 -3.81 0.00 -2.24 -0.57 -4.88 114.28 103.81 1zba n THR 128 Ca -0.17 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1zba n THR 128 Cb 0.56 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.71 1zba n THR 128 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1zba s VAL 129 N -3.26 -0.00 -0.19 2.28 0.11 -1.26 -5.06 120.40 113.01 1zba s VAL 129 Ca 0.02 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1zba s VAL 129 Cb 0.13 -0.23 0.06 0.00 -1.53 0.00 0.00 36.38 34.81 1zba s VAL 129 CO 0.80 0.01 0.07 -0.47 -3.33 0.00 0.00 175.10 172.18 1zba s TYR 130 N 0.18 0.60 -1.46 1.54 5.04 -1.26 -5.01 117.35 116.97 1zba s TYR 130 Ca -0.01 -0.60 -0.13 0.00 -2.44 0.00 0.00 57.07 53.89 1zba s TYR 130 Cb -0.02 -0.87 0.01 0.00 0.35 0.00 0.00 41.96 41.43 1zba s TYR 130 CO -0.00 -0.57 2.35 -3.47 -1.34 0.00 0.00 175.55 172.52 1zba n ASP 131 N 5.17 4.74 -4.82 4.32 2.03 -1.26 -4.86 116.55 121.87 1zba n ASP 131 Ca -0.08 -2.78 -0.38 0.00 0.52 0.00 0.00 54.79 52.08 1zba n ASP 131 Cb 0.48 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.21 1zba n ASP 131 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zba s GLY 132 N 3.08 2.62 0.37 0.27 0.00 -1.26 -4.93 107.32 107.48 1zba s GLY 132 Ca 0.52 0.01 0.13 0.00 0.00 0.00 0.00 44.72 45.38 1zba s GLY 132 CO -0.08 0.40 1.83 -0.84 0.00 0.00 0.00 173.10 174.42 1zba h THR 133 N 3.27 1.25 0.00 0.90 2.02 -2.02 -3.44 112.91 114.89 1zba h THR 133 Ca -0.49 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1zba h THR 133 Cb 1.21 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1zba h THR 133 CO 0.64 0.36 0.00 -0.46 0.37 0.00 0.00 175.52 176.43 1zba n ASN 134 N -4.09 -1.41 0.00 4.18 0.23 -1.26 -5.06 115.26 107.85 1zba n ASN 134 Ca -0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1zba n ASN 134 Cb 0.40 1.57 0.00 0.00 -2.08 0.00 0.00 39.78 39.68 1zba n ASN 134 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1zba n LYS 135 N -2.88 0.00 -2.67 -3.83 0.00 -1.26 -5.01 118.16 102.51 1zba n LYS 135 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1zba n LYS 135 Cb 0.00 -0.64 0.04 0.00 -0.00 0.00 0.00 35.03 34.43 1zba n LYS 135 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1zba s TYR 136 N -2.18 2.65 -1.56 5.58 1.51 -1.26 -5.04 117.35 117.05 1zba s TYR 136 Ca 0.00 -0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1zba s TYR 136 Cb 0.00 -2.74 0.34 0.00 -0.11 0.00 0.00 41.96 39.45 1zba s TYR 136 CO 0.00 -0.96 1.21 -1.13 -1.11 0.00 0.00 175.55 173.56 1zba n SER 137 N -2.37 2.36 -0.17 2.29 3.41 -1.26 -5.20 113.62 112.68 1zba n SER 137 Ca 0.09 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1zba n SER 137 Cb 0.60 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1zba n SER 137 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1zba n THR 155 N 0.47 0.00 -4.81 6.66 5.66 -1.26 -5.25 114.28 115.74 1zba n THR 155 Ca 0.12 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.85 1zba n THR 155 Cb 0.43 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.07 1zba n THR 155 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1zba s GLN 156 N 0.00 1.58 -0.00 1.09 2.00 -1.26 -5.13 119.66 117.94 1zba s GLN 156 Ca 0.00 -0.95 0.01 0.00 -2.00 0.00 0.00 55.36 52.43 1zba s GLN 156 Cb 0.00 -1.67 -0.04 0.00 0.80 0.00 0.00 33.01 32.10 1zba s GLN 156 CO 0.00 0.44 -0.00 -0.51 -0.50 0.00 0.00 175.29 174.71 1zba s LEU 157 N -1.04 3.49 0.35 3.68 1.02 -1.26 -4.70 118.68 120.22 1zba s LEU 157 Ca 0.09 -0.01 -0.27 0.00 0.02 0.00 0.00 54.13 53.96 1zba s LEU 157 Cb -0.09 -1.99 -0.12 0.00 0.02 0.00 0.00 46.19 44.00 1zba s LEU 157 CO 0.01 0.28 1.11 -2.65 0.02 0.00 0.00 176.35 175.13 1zba n PRO 158 N 1.43 1.63 0.29 1.29 -0.02 -1.26 -4.85 135.00 133.51 1zba n PRO 158 Ca -0.15 0.58 0.16 0.00 -2.02 0.00 0.00 63.50 62.07 1zba n PRO 158 Cb 0.53 -2.09 0.91 0.00 -0.02 0.00 0.00 33.50 32.83 1zba n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zba h ALA 159 N 2.03 1.27 0.00 3.55 0.00 -1.98 -2.06 119.26 122.08 1zba h ALA 159 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1zba h ALA 159 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1zba h ALA 159 CO 0.60 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.77 1zba n SER 160 N -3.53 0.12 -4.30 0.00 3.41 -1.26 -4.35 113.62 103.71 1zba n SER 160 Ca -0.02 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.69 1zba n SER 160 Cb 0.15 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1zba n SER 160 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1zba n PHE 161 N -1.64 4.31 -3.95 7.33 3.01 -0.78 -4.71 117.46 121.03 1zba n PHE 161 Ca 0.03 -2.94 -0.09 0.00 1.01 0.00 0.00 57.45 55.47 1zba n PHE 161 Cb 0.19 -2.52 -0.04 0.00 -0.01 0.00 0.00 39.48 37.09 1zba n PHE 161 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1zba s ASN 162 N 3.59 -0.14 -0.36 4.37 2.20 -1.26 -4.86 114.94 118.47 1zba s ASN 162 Ca 0.50 -0.82 0.06 0.00 -0.94 0.00 0.00 52.86 51.66 1zba s ASN 162 Cb 0.06 0.62 0.51 0.00 -2.00 0.00 0.00 41.25 40.44 1zba s ASN 162 CO 0.02 -1.18 1.55 -1.22 -2.94 0.00 0.00 177.10 173.34 1zba n TYR 163 N -0.39 1.89 -2.13 1.54 4.01 -0.35 -4.43 117.16 117.31 1zba n TYR 163 Ca -0.03 -1.95 0.00 0.00 -0.16 0.00 0.00 57.90 55.76 1zba n TYR 163 Cb 0.61 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1zba n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1zba n GLY 164 N -1.03 -1.83 3.15 2.72 0.00 -1.26 -4.73 105.19 102.21 1zba n GLY 164 Ca 0.42 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1zba n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zba s ALA 165 N -1.47 -0.25 0.20 4.61 0.00 -0.39 -0.92 121.76 123.54 1zba s ALA 165 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 51.96 51.71 1zba s ALA 165 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1zba s ALA 165 CO 0.00 -0.33 -0.22 0.96 0.00 0.00 0.00 175.76 176.17 1zba s ILE 166 N -2.43 2.26 -0.13 0.00 -4.36 0.08 -1.08 121.20 115.55 1zba s ILE 166 Ca -0.06 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.14 1zba s ILE 166 Cb -0.02 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.64 1zba s ILE 166 CO -0.03 -0.19 0.36 -1.58 0.24 0.00 0.00 174.94 173.74 1zba s GLN 167 N -2.79 0.45 0.30 0.37 0.74 -0.48 -1.01 119.66 117.24 1zba s GLN 167 Ca 0.21 0.46 -0.11 0.00 0.05 0.00 0.00 55.36 55.96 1zba s GLN 167 Cb -0.07 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.27 1zba s GLN 167 CO 0.10 -0.06 0.56 0.00 -0.55 0.00 0.00 175.29 175.33 1zba s ALA 168 N 0.08 -0.14 0.32 1.58 0.00 -0.81 -1.36 121.76 121.44 1zba s ALA 168 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1zba s ALA 168 Cb -0.03 1.00 0.56 0.00 0.00 0.00 0.00 23.12 24.65 1zba s ALA 168 CO 0.01 -0.88 1.97 1.96 0.00 0.00 0.00 175.76 178.82 1zba h GLN 169 N 2.14 0.94 -2.32 0.00 4.20 -1.64 -3.43 115.11 115.00 1zba h GLN 169 Ca -0.27 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 1zba h GLN 169 Cb 1.25 -0.21 -0.23 0.00 0.30 0.00 0.00 27.48 28.59 1zba h GLN 169 CO 0.36 0.63 -0.06 0.00 -0.67 0.00 0.00 178.83 179.09 1zba s ALA 170 N -5.83 -1.46 -0.33 3.87 0.00 -1.24 -4.81 121.76 111.97 1zba s ALA 170 Ca -0.11 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 1zba s ALA 170 Cb 0.18 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.35 1zba s ALA 170 CO 0.78 -0.29 0.05 0.42 0.00 0.00 0.00 175.76 176.73 1zba s ILE 171 N 0.62 3.03 -0.00 0.00 1.01 -1.26 -1.12 121.20 123.47 1zba s ILE 171 Ca -0.02 -1.61 0.04 0.00 0.00 0.00 0.00 60.65 59.06 1zba s ILE 171 Cb -0.05 -2.86 -0.25 0.00 0.01 0.00 0.00 42.46 39.32 1zba s ILE 171 CO -0.04 -0.28 0.81 0.45 0.00 0.00 0.00 174.94 175.89 1zba h HIS 172 N 7.99 0.23 -2.62 3.97 3.86 -1.32 -3.41 115.15 123.84 1zba h HIS 172 Ca -0.18 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 58.76 1zba h HIS 172 Cb 1.06 -0.01 -0.22 0.00 1.06 0.00 0.00 27.41 29.29 1zba h HIS 172 CO 0.59 1.23 -0.15 -2.00 0.86 0.00 0.00 177.93 178.46 1zba s GLU 173 N -2.62 0.63 -0.06 2.45 2.12 -1.12 -4.97 118.70 115.13 1zba s GLU 173 Ca -0.07 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.68 1zba s GLU 173 Cb 0.08 0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.80 1zba s GLU 173 CO 0.83 -0.12 0.05 -1.17 -0.54 0.00 0.00 175.26 174.32 1zba s LEU 174 N -0.22 0.26 0.04 2.70 2.96 -1.26 -1.46 118.68 121.71 1zba s LEU 174 Ca -0.04 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1zba s LEU 174 Cb -0.03 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1zba s LEU 174 CO 0.02 -0.25 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.94 1zba s LEU 175 N 2.13 3.01 0.01 -0.68 1.43 -0.23 -1.46 118.68 122.88 1zba s LEU 175 Ca 0.05 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1zba s LEU 175 Cb -0.13 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1zba s LEU 175 CO -0.04 0.24 -0.10 0.54 0.23 0.00 0.00 176.35 177.22 1zba s VAL 176 N -1.05 0.77 -0.07 -1.59 0.11 0.16 -1.18 120.40 117.56 1zba s VAL 176 Ca 0.18 -0.57 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1zba s VAL 176 Cb -0.11 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1zba s VAL 176 CO 0.09 0.11 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.34 1zba s ARG 177 N -0.52 0.86 -0.20 1.54 3.52 0.80 -0.98 118.95 123.97 1zba s ARG 177 Ca 0.02 -0.05 -0.28 0.00 -0.13 0.00 0.00 55.73 55.29 1zba s ARG 177 Cb -0.05 -1.01 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1zba s ARG 177 CO 0.00 -0.19 1.00 -1.64 -0.81 0.00 0.00 175.30 173.65 1zba s MET 178 N 1.45 4.29 -0.08 5.12 -1.94 -1.26 -0.77 119.30 126.11 1zba s MET 178 Ca -0.02 1.30 0.01 0.00 -1.71 0.00 0.00 55.69 55.26 1zba s MET 178 Cb -0.13 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.07 1zba s MET 178 CO -0.03 -0.53 -0.08 0.15 -0.01 0.00 0.00 175.02 174.53 1zba s LYS 179 N 2.82 2.84 -1.50 2.03 -0.14 -0.56 -4.15 119.74 121.08 1zba s LYS 179 Ca 0.44 -0.57 -0.06 0.00 -1.36 0.00 0.00 55.97 54.42 1zba s LYS 179 Cb -0.16 -2.60 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 1zba s LYS 179 CO 0.09 0.60 0.76 0.54 -0.76 0.00 0.00 175.35 176.58 1zba n ARG 180 N 2.42 -5.58 -1.80 1.68 1.74 -1.26 -0.52 116.66 113.33 1zba n ARG 180 Ca -0.18 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 1zba n ARG 180 Cb 0.53 -5.76 -0.00 0.00 -1.02 0.00 0.00 32.46 26.21 1zba n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zba s ALA 181 N -3.20 3.58 -0.05 7.54 0.00 -1.26 -4.56 121.76 123.81 1zba s ALA 181 Ca 0.39 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.95 1zba s ALA 181 Cb -0.18 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1zba s ALA 181 CO 0.49 -1.05 -0.10 -1.21 0.00 0.00 0.00 175.76 173.89 1zba s GLU 182 N -2.01 1.37 -0.04 0.00 2.02 -0.19 -4.47 118.70 115.38 1zba s GLU 182 Ca 0.53 -0.32 0.07 0.00 0.02 0.00 0.00 54.97 55.27 1zba s GLU 182 Cb -0.47 -1.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 1zba s GLU 182 CO 0.62 0.02 -0.25 -0.51 0.02 0.00 0.00 175.26 175.16 1zba s LEU 183 N 0.65 2.08 0.04 1.80 1.02 -1.26 -1.60 118.68 121.41 1zba s LEU 183 Ca -0.12 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.58 1zba s LEU 183 Cb -0.14 -1.36 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1zba s LEU 183 CO 0.02 0.28 -0.10 -0.31 0.02 0.00 0.00 176.35 176.27 1zba s TYR 184 N -0.40 0.89 -0.34 0.29 2.02 -0.29 -4.99 117.35 114.53 1zba s TYR 184 Ca 0.03 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1zba s TYR 184 Cb -0.12 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1zba s TYR 184 CO 0.01 -0.01 0.37 0.00 -1.57 0.00 0.00 175.55 174.35 1zba n PRO 186 N 0.23 1.00 -4.31 0.00 -0.04 -1.26 -1.16 135.00 129.46 1zba n PRO 186 Ca 0.02 0.39 -0.16 0.00 -0.04 0.00 0.00 63.50 63.71 1zba n PRO 186 Cb 0.40 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 1zba n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1zba s ARG 187 N -3.11 1.29 0.24 0.54 0.52 0.18 -4.81 118.95 113.79 1zba s ARG 187 Ca 0.80 -1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.07 1zba s ARG 187 Cb -0.39 -0.60 -0.14 0.00 0.52 0.00 0.00 34.95 34.33 1zba s ARG 187 CO 0.43 -0.07 1.23 -2.30 0.02 0.00 0.00 175.30 174.61 1zba n PRO 188 N -0.38 1.64 -4.09 3.54 -0.02 -1.26 -4.57 135.00 129.86 1zba n PRO 188 Ca -0.06 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 1zba n PRO 188 Cb 0.63 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 1zba n PRO 188 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1zba s LEU 189 N 0.22 1.52 -0.06 2.45 0.20 -1.26 -4.59 118.68 117.15 1zba s LEU 189 Ca 0.66 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.09 1zba s LEU 189 Cb -0.71 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 1zba s LEU 189 CO 0.54 -0.06 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.69 1zba s LEU 190 N 1.43 3.04 0.82 -0.68 1.02 -1.26 -5.12 118.68 117.93 1zba s LEU 190 Ca 0.02 -0.07 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 1zba s LEU 190 Cb -0.13 -1.65 0.14 0.00 0.02 0.00 0.00 46.19 44.56 1zba s LEU 190 CO -0.07 0.35 1.15 0.00 0.02 0.00 0.00 176.35 177.80 1zba s ALA 191 N -0.76 2.85 0.36 4.21 0.00 -1.26 -5.01 121.76 122.15 1zba s ALA 191 Ca 0.12 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 1zba s ALA 191 Cb -0.11 -2.57 -0.11 0.00 0.00 0.00 0.00 23.12 20.33 1zba s ALA 191 CO 0.01 -1.85 1.42 -1.50 0.00 0.00 0.00 175.76 173.85 1zba s ILE 192 N -3.52 2.29 0.20 0.00 -1.16 -1.26 -4.92 121.20 112.82 1zba s ILE 192 Ca 0.67 0.29 -0.31 0.00 -0.51 0.00 0.00 60.65 60.80 1zba s ILE 192 Cb -0.07 -3.19 -0.10 0.00 0.61 0.00 0.00 42.46 39.71 1zba s ILE 192 CO 0.48 0.07 1.56 -0.75 -2.81 0.00 0.00 174.94 173.49 1zba s LYS 193 N -1.95 4.21 -0.27 3.50 2.47 -1.26 -4.98 119.74 121.46 1zba s LYS 193 Ca 0.52 2.39 -0.13 0.00 -1.56 0.00 0.00 55.97 57.19 1zba s LYS 193 Cb -0.44 -3.13 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 1zba s LYS 193 CO 0.59 -0.58 0.26 0.08 0.16 0.00 0.00 175.35 175.86 1zba s VAL 194 N 0.83 5.26 -0.11 4.02 1.01 -1.26 -4.95 120.40 125.19 1zba s VAL 194 Ca 0.68 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 1zba s VAL 194 Cb -0.44 -3.60 -0.27 0.00 0.00 0.00 0.00 36.38 32.07 1zba s VAL 194 CO 0.35 0.22 0.40 0.74 0.00 0.00 0.00 175.10 176.81 1zba h THR 195 N 5.35 0.67 -3.75 3.92 2.02 -1.93 -3.48 112.91 115.70 1zba h THR 195 Ca -0.34 -2.36 -0.52 0.00 0.77 0.00 0.00 66.41 63.96 1zba h THR 195 Cb 1.18 2.54 0.21 0.00 -1.74 0.00 0.00 68.15 70.33 1zba h THR 195 CO 0.60 0.89 -0.21 -0.24 0.37 0.00 0.00 175.52 176.92 1zba n SER 196 N -3.52 -0.99 0.26 4.18 2.88 -1.26 -4.90 113.62 110.28 1zba n SER 196 Ca -0.31 0.34 0.15 0.00 -1.33 0.00 0.00 58.87 57.71 1zba n SER 196 Cb 1.04 -1.32 0.67 0.00 -0.75 0.00 0.00 64.21 63.85 1zba n SER 196 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1zba h GLN 197 N -1.78 0.00 0.00 -1.46 5.75 -2.06 -3.41 115.11 112.15 1zba h GLN 197 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1zba h GLN 197 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1zba h GLN 197 CO 0.38 0.09 -0.26 -0.40 -2.65 0.00 0.00 178.83 175.99 1zba n ASP 198 N -3.27 0.07 -4.03 -0.69 5.68 -1.26 -5.14 116.55 107.91 1zba n ASP 198 Ca -0.00 0.10 -0.08 0.00 -0.50 0.00 0.00 54.79 54.31 1zba n ASP 198 Cb 0.31 0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.23 1zba n ASP 198 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1zba s ARG 199 N -2.00 0.59 -0.38 0.11 0.52 -1.26 -5.11 118.95 111.43 1zba s ARG 199 Ca 0.00 -1.05 -0.22 0.00 -0.52 0.00 0.00 55.73 53.94 1zba s ARG 199 Cb 0.00 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.70 1zba s ARG 199 CO 0.00 -0.12 0.74 -0.47 0.02 0.00 0.00 175.30 175.47 1zba s TYR 200 N -3.42 3.10 -0.08 -0.53 5.04 -1.26 -4.60 117.35 115.60 1zba s TYR 200 Ca 0.02 0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 55.05 1zba s TYR 200 Cb 0.04 -3.38 -0.03 0.00 0.35 0.00 0.00 41.96 38.94 1zba s TYR 200 CO -0.08 -0.75 0.02 0.15 -1.34 0.00 0.00 175.55 173.54 1zba s LYS 201 N 3.02 3.02 0.21 4.97 1.02 -1.26 -5.11 119.74 125.61 1zba s LYS 201 Ca 0.29 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.80 1zba s LYS 201 Cb -0.13 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1zba s LYS 201 CO 0.17 0.71 0.34 1.14 -0.92 0.00 0.00 175.35 176.79 1zba s GLN 202 N -0.97 1.34 -0.38 1.68 -2.07 -1.26 -5.11 119.66 112.89 1zba s GLN 202 Ca 0.14 -1.29 -0.29 0.00 -1.82 0.00 0.00 55.36 52.10 1zba s GLN 202 Cb -0.11 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.22 1zba s GLN 202 CO 0.03 -0.51 1.29 0.21 -1.32 0.00 0.00 175.29 174.99 1zba s LYS 203 N -4.02 3.76 0.02 9.60 2.20 -1.26 -5.01 119.74 125.03 1zba s LYS 203 Ca 0.23 0.97 -0.12 0.00 -0.36 0.00 0.00 55.97 56.69 1zba s LYS 203 Cb 0.02 -3.93 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 1zba s LYS 203 CO 0.06 -1.33 0.38 0.42 -0.36 0.00 0.00 175.35 174.52 1zba s ILE 204 N 4.72 5.11 0.37 5.43 1.01 -1.26 -5.04 121.20 131.54 1zba s ILE 204 Ca 0.55 0.62 -0.27 0.00 0.00 0.00 0.00 60.65 61.55 1zba s ILE 204 Cb -0.13 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 1zba s ILE 204 CO 0.28 0.47 1.25 2.30 0.00 0.00 0.00 174.94 179.23 1zba n ILE 205 N 1.47 2.20 -3.66 2.92 -5.35 -1.26 -5.01 119.36 110.66 1zba n ILE 205 Ca -0.12 -0.50 -0.15 0.00 -0.27 0.00 0.00 62.75 61.71 1zba n ILE 205 Cb 0.53 -1.51 -0.08 0.00 -1.74 0.00 0.00 39.64 36.84 1zba n ILE 205 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1zba s ALA 206 N -1.14 -1.26 0.63 -1.28 0.00 -1.26 -5.16 121.76 112.29 1zba s ALA 206 Ca 0.58 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 53.40 1zba s ALA 206 Cb -0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1zba s ALA 206 CO 0.60 -0.29 1.20 -1.25 0.00 0.00 0.00 175.76 176.02 1zba s PRO 207 N -0.71 2.79 0.00 0.00 0.04 -1.26 -5.31 135.00 130.55 1zba s PRO 207 Ca -0.08 1.76 0.13 0.00 0.04 0.00 0.00 61.00 62.85 1zba s PRO 207 Cb -0.03 -1.91 0.76 0.00 0.04 0.00 0.00 34.50 33.36 1zba s PRO 207 CO 0.05 -1.34 1.19 0.00 0.04 0.00 0.00 177.00 176.94