#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zml s THR 2 N 0.00 0.12 0.41 3.15 2.01 -1.26 -1.99 115.64 118.08 2zml s THR 2 Ca 0.00 -1.77 -0.25 0.00 0.31 0.00 0.00 61.69 59.99 2zml s THR 2 Cb 0.00 -1.09 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 2zml s THR 2 CO 0.00 -0.99 1.15 -0.51 -0.69 0.00 0.00 174.62 173.58 2zml s ILE 3 N 0.98 3.22 -0.28 1.82 1.10 -1.17 -4.90 121.20 121.98 2zml s ILE 3 Ca 0.20 1.00 -0.20 0.00 -0.51 0.00 0.00 60.65 61.14 2zml s ILE 3 Cb -0.19 -3.55 0.09 0.00 0.15 0.00 0.00 42.46 38.95 2zml s ILE 3 CO -0.02 0.07 0.75 -0.55 -2.11 0.00 0.00 174.94 173.09 2zml s SER 4 N -1.21 -0.80 0.21 4.50 0.15 -1.26 -2.15 113.70 113.13 2zml s SER 4 Ca 0.58 1.38 -0.06 0.00 0.70 0.00 0.00 55.95 58.54 2zml s SER 4 Cb -0.29 1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 65.35 2zml s SER 4 CO 0.37 -0.23 0.28 0.72 1.20 0.00 0.00 173.24 175.58 2zml s PHE 5 N 1.09 0.76 0.01 3.44 -0.12 -0.65 -5.01 117.98 117.50 2zml s PHE 5 Ca -0.06 -1.06 -0.21 0.00 -0.05 0.00 0.00 56.93 55.55 2zml s PHE 5 Cb -0.05 -0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2zml s PHE 5 CO -0.12 -0.78 0.48 1.21 -0.05 0.00 0.00 175.22 175.96 2zml s ASN 6 N -3.08 -0.39 -0.33 1.98 2.47 -1.26 -0.84 114.94 113.49 2zml s ASN 6 Ca 0.30 0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.80 2zml s ASN 6 Cb 0.04 0.44 0.13 0.00 -1.45 0.00 0.00 41.25 40.41 2zml s ASN 6 CO 0.09 -0.61 0.20 -0.36 -3.72 0.00 0.00 177.10 172.69 2zml s PHE 7 N -1.89 0.49 0.54 0.43 0.08 0.29 -4.94 117.98 112.96 2zml s PHE 7 Ca -0.09 -1.29 0.25 0.00 0.12 0.00 0.00 56.93 55.93 2zml s PHE 7 Cb -0.02 -0.86 1.58 0.00 -0.57 0.00 0.00 43.02 43.16 2zml s PHE 7 CO 0.02 -0.84 2.19 -0.91 -0.10 0.00 0.00 175.22 175.58 2zml h ASN 8 N 7.50 0.00 -5.47 1.36 -0.26 -1.90 -1.44 115.58 115.38 2zml h ASN 8 Ca -0.03 0.00 0.22 0.00 -0.56 0.00 0.00 56.30 55.94 2zml h ASN 8 Cb 0.99 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.16 2zml h ASN 8 CO 0.32 0.03 0.59 0.00 -1.06 0.00 0.00 177.43 177.31 2zml s GLN 9 N -4.67 0.96 0.24 0.81 0.00 -1.26 -4.64 119.66 111.10 2zml s GLN 9 Ca -0.05 -0.53 0.07 0.00 -0.00 0.00 0.00 55.36 54.85 2zml s GLN 9 Cb 0.15 0.32 -0.04 0.00 0.00 0.00 0.00 33.01 33.45 2zml s GLN 9 CO 0.59 -0.44 0.21 -0.06 0.00 0.00 0.00 175.29 175.59 2zml s PHE 10 N -3.01 3.15 -0.05 9.60 0.08 -0.53 -5.00 117.98 122.22 2zml s PHE 10 Ca 0.13 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.12 2zml s PHE 10 Cb 0.00 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2zml s PHE 10 CO 0.01 0.51 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.49 2zml s HIS 11 N -2.09 1.46 0.56 0.36 4.02 -1.26 -4.35 115.29 113.99 2zml s HIS 11 Ca 0.33 -0.47 0.44 0.00 1.02 0.00 0.00 55.06 56.38 2zml s HIS 11 Cb -0.08 -1.03 1.60 0.00 -1.02 0.00 0.00 32.58 32.05 2zml s HIS 11 CO 0.25 -0.21 1.60 -0.56 1.02 0.00 0.00 174.74 176.84 2zml h GLN 12 N 6.61 0.00 -1.61 1.40 -0.00 -1.86 0.18 115.11 119.82 2zml h GLN 12 Ca -0.32 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.69 2zml h GLN 12 Cb 1.18 0.00 -0.37 0.00 -0.00 0.00 0.00 27.48 28.29 2zml h GLN 12 CO 0.48 0.00 -0.17 0.27 -0.00 0.00 0.00 178.83 179.41 2zml n ASN 13 N -3.90 5.62 -4.67 0.06 2.04 -1.26 -4.94 115.26 108.22 2zml n ASN 13 Ca 0.37 -3.76 -0.43 0.00 -0.44 0.00 0.00 54.58 50.33 2zml n ASN 13 Cb 1.77 -0.64 -0.02 0.00 -2.53 0.00 0.00 39.78 38.35 2zml n ASN 13 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2zml s GLU 14 N -3.71 4.26 0.26 -3.83 2.56 0.61 -4.94 118.70 113.91 2zml s GLU 14 Ca 0.50 1.63 0.19 0.00 0.00 0.00 0.00 54.97 57.28 2zml s GLU 14 Cb 0.41 -3.71 0.07 0.00 2.00 0.00 0.00 34.13 32.91 2zml s GLU 14 CO -0.24 -0.65 1.28 0.93 -0.56 0.00 0.00 175.26 176.02 2zml h GLU 15 N 7.98 0.00 -0.60 4.30 3.07 -1.96 -3.35 114.58 124.03 2zml h GLU 15 Ca -0.27 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.49 2zml h GLU 15 Cb 1.11 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.96 2zml h GLU 15 CO 0.95 0.25 0.12 0.00 -1.40 0.00 0.00 179.01 178.93 2zml n GLN 16 N -3.03 4.03 -5.00 2.33 10.64 -1.26 -4.89 117.38 120.19 2zml n GLN 16 Ca -0.00 -3.10 -0.27 0.00 -1.83 0.00 0.00 57.00 51.80 2zml n GLN 16 Cb 0.68 -2.18 -0.16 0.00 -0.86 0.00 0.00 30.24 27.72 2zml n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2zml s LEU 17 N -2.90 2.02 -0.33 2.61 1.43 -1.26 0.15 118.68 120.41 2zml s LEU 17 Ca 0.53 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2zml s LEU 17 Cb 0.42 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.62 2zml s LEU 17 CO 0.13 0.24 0.07 -1.59 0.23 0.00 0.00 176.35 175.43 2zml s LYS 18 N -0.38 2.46 0.05 1.70 0.00 0.10 -4.77 119.74 118.90 2zml s LYS 18 Ca 0.05 -1.30 -0.19 0.00 0.00 0.00 0.00 55.97 54.53 2zml s LYS 18 Cb -0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 37.83 34.33 2zml s LYS 18 CO -0.00 -0.70 0.56 -0.51 0.00 0.00 0.00 175.35 174.70 2zml s LEU 19 N 1.30 4.50 0.07 2.77 1.02 -1.26 -1.15 118.68 125.92 2zml s LEU 19 Ca -0.02 1.22 0.06 0.00 0.02 0.00 0.00 54.13 55.41 2zml s LEU 19 Cb -0.20 -2.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.10 2zml s LEU 19 CO 0.00 0.23 -0.16 -1.10 0.02 0.00 0.00 176.35 175.34 2zml s GLN 20 N -0.87 0.98 5.57 1.70 -0.21 -0.44 -4.99 119.66 121.40 2zml s GLN 20 Ca 0.29 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2zml s GLN 20 Cb -0.19 -1.06 0.00 0.00 1.00 0.00 0.00 33.01 32.76 2zml s GLN 20 CO 0.18 0.25 0.00 0.54 -2.12 0.00 0.00 175.29 174.14 2zml n ARG 21 N 1.47 0.00 0.00 2.91 5.12 -1.26 -2.29 116.66 122.61 2zml n ARG 21 Ca -0.19 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.82 2zml n ARG 21 Cb 0.54 0.00 0.52 0.00 -1.16 0.00 0.00 32.46 32.36 2zml n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2zml n ASP 22 N 3.57 0.00 -4.71 0.55 8.00 -0.44 -4.84 116.55 118.68 2zml n ASP 22 Ca 0.00 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 2zml n ASP 22 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2zml n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zml s ALA 23 N -2.31 3.74 0.02 2.24 0.00 -0.97 -4.39 121.76 120.10 2zml s ALA 23 Ca 0.23 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 2zml s ALA 23 Cb 0.13 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2zml s ALA 23 CO 0.26 -0.87 0.17 1.03 0.00 0.00 0.00 175.76 176.35 2zml s ARG 24 N 1.60 0.61 -0.23 0.00 1.81 -0.36 -4.65 118.95 117.73 2zml s ARG 24 Ca 0.71 -0.54 -0.11 0.00 -1.72 0.00 0.00 55.73 54.07 2zml s ARG 24 Cb -0.42 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 2zml s ARG 24 CO 0.31 -0.16 0.19 0.42 -0.68 0.00 0.00 175.30 175.38 2zml s ILE 25 N -2.10 5.34 0.88 1.52 1.01 -1.26 -0.93 121.20 125.66 2zml s ILE 25 Ca -0.09 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 2zml s ILE 25 Cb -0.03 -3.53 0.13 0.00 0.01 0.00 0.00 42.46 39.03 2zml s ILE 25 CO -0.02 0.35 1.21 -0.94 0.00 0.00 0.00 174.94 175.54 2zml s SER 26 N 0.95 3.85 0.13 3.58 1.04 -0.43 -4.79 113.70 118.04 2zml s SER 26 Ca 0.09 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.02 2zml s SER 26 Cb -0.13 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 2zml s SER 26 CO 0.04 -2.31 1.76 0.28 0.98 0.00 0.00 173.24 173.99 2zml h SER 27 N -1.34 0.34 0.00 7.02 0.02 -1.98 -2.17 113.55 115.44 2zml h SER 27 Ca -0.46 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2zml h SER 27 Cb 1.31 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2zml h SER 27 CO 0.57 0.29 0.00 -0.46 -1.14 0.00 0.00 176.83 176.09 2zml n ASN 28 N -4.86 0.82 -0.57 3.07 0.23 -1.26 -4.85 115.26 107.84 2zml n ASN 28 Ca -0.02 -1.78 -0.07 0.00 -0.53 0.00 0.00 54.58 52.18 2zml n ASN 28 Cb 0.05 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 37.30 2zml n ASN 28 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2zml n SER 29 N 0.01 -3.84 -4.89 0.53 3.41 -0.82 -4.95 113.62 103.07 2zml n SER 29 Ca 0.00 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.45 2zml n SER 29 Cb 0.21 -2.02 -0.05 0.00 -0.26 0.00 0.00 64.21 62.09 2zml n SER 29 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2zml s VAL 30 N -2.27 5.30 -0.51 -3.33 -7.23 -1.26 -1.46 120.40 109.65 2zml s VAL 30 Ca 0.00 0.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 2zml s VAL 30 Cb 0.00 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.39 2zml s VAL 30 CO 0.00 0.26 0.83 -0.22 -0.31 0.00 0.00 175.10 175.66 2zml s LEU 31 N -2.08 4.31 -0.49 1.32 2.96 -0.73 -1.31 118.68 122.66 2zml s LEU 31 Ca 0.31 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2zml s LEU 31 Cb -0.13 -2.81 0.06 0.00 0.50 0.00 0.00 46.19 43.80 2zml s LEU 31 CO 0.20 -1.05 0.57 -1.61 -1.32 0.00 0.00 176.35 173.14 2zml s GLU 32 N 3.48 3.10 0.09 1.98 2.02 -0.11 -0.82 118.70 128.45 2zml s GLU 32 Ca 0.28 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 2zml s GLU 32 Cb -0.13 -4.09 -0.08 0.00 0.10 0.00 0.00 34.13 29.93 2zml s GLU 32 CO 0.19 -1.15 1.50 -0.07 0.02 0.00 0.00 175.26 175.75 2zml h LEU 33 N 9.49 0.52 -9.48 1.80 3.38 -1.65 -0.95 115.31 118.41 2zml h LEU 33 Ca -0.27 -0.35 -0.61 0.00 0.09 0.00 0.00 57.88 56.74 2zml h LEU 33 Cb 1.10 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2zml h LEU 33 CO 0.93 0.75 -0.67 0.42 0.09 0.00 0.00 178.44 179.97 2zml s THR 34 N -4.82 3.66 0.24 0.22 -4.23 -1.26 -3.11 115.64 106.34 2zml s THR 34 Ca -0.13 -1.46 -0.31 0.00 -1.18 0.00 0.00 61.69 58.61 2zml s THR 34 Cb 0.08 -2.84 -0.13 0.00 1.34 0.00 0.00 72.50 70.95 2zml s THR 34 CO 0.77 -0.11 1.39 1.17 -0.54 0.00 0.00 174.62 177.29 2zml n LYS 35 N -0.12 2.01 -3.62 3.99 4.81 -1.26 -4.77 118.16 119.21 2zml n LYS 35 Ca -0.10 0.72 -0.17 0.00 -0.87 0.00 0.00 58.31 57.89 2zml n LYS 35 Cb 0.55 -2.36 -0.15 0.00 0.02 0.00 0.00 35.03 33.09 2zml n LYS 35 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2zml s VAL 36 N -0.13 -0.29 -0.17 3.15 0.11 -1.26 -2.54 120.40 119.27 2zml s VAL 36 Ca 0.67 0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.91 2zml s VAL 36 Cb -0.65 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2zml s VAL 36 CO 0.50 0.03 -0.12 0.68 -3.33 0.00 0.00 175.10 172.86 2zml s VAL 37 N 2.31 2.92 -1.47 2.04 -7.23 0.60 -4.65 120.40 114.93 2zml s VAL 37 Ca 0.04 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 2zml s VAL 37 Cb -0.13 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.60 2zml s VAL 37 CO -0.08 0.49 1.07 0.59 -0.31 0.00 0.00 175.10 176.86 2zml n ASN 38 N 4.16 -5.43 0.00 4.85 5.03 -1.26 -1.60 115.26 121.01 2zml n ASN 38 Ca -0.19 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.58 2zml n ASN 38 Cb 0.52 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.94 2zml n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2zml n GLY 39 N -1.82 0.68 3.09 7.41 0.00 -1.26 -5.03 105.19 108.26 2zml n GLY 39 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2zml n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zml s VAL 40 N -2.70 1.60 0.31 1.61 1.01 -0.63 -5.12 120.40 116.49 2zml s VAL 40 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 2zml s VAL 40 Cb 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 2zml s VAL 40 CO 0.00 0.46 1.08 -2.16 0.00 0.00 0.00 175.10 174.48 2zml s PRO 41 N 0.81 4.50 0.41 2.72 0.04 -1.26 -0.29 135.00 141.93 2zml s PRO 41 Ca -0.10 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.73 2zml s PRO 41 Cb -0.16 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2zml s PRO 41 CO 0.01 0.11 0.28 0.95 0.04 0.00 0.00 177.00 178.39 2zml s THR 42 N -1.30 2.52 0.27 1.26 -4.23 -1.05 -4.78 115.64 108.32 2zml s THR 42 Ca 0.48 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2zml s THR 42 Cb -0.29 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.60 2zml s THR 42 CO 0.37 -0.01 0.36 -2.67 -0.54 0.00 0.00 174.62 172.13 2zml n TRP 43 N -1.39 -3.37 -3.11 3.99 4.27 -1.26 -4.48 117.44 112.08 2zml n TRP 43 Ca 0.01 -0.57 -0.20 0.00 -3.89 0.00 0.00 57.50 52.85 2zml n TRP 43 Cb 0.63 -0.27 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 2zml n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2zml n ASN 44 N -3.03 -3.98 -4.43 -0.67 5.15 0.19 -4.90 115.26 103.59 2zml n ASN 44 Ca 0.06 -0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 2zml n ASN 44 Cb 0.20 -3.30 -0.14 0.00 -0.53 0.00 0.00 39.78 36.01 2zml n ASN 44 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2zml s SER 45 N -2.56 3.71 -0.09 1.20 0.15 -1.26 -4.99 113.70 109.85 2zml s SER 45 Ca 0.30 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 2zml s SER 45 Cb -0.15 -0.65 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2zml s SER 45 CO 0.37 0.31 0.21 -0.89 1.20 0.00 0.00 173.24 174.45 2zml s THR 46 N -0.75 -0.03 0.00 6.45 2.01 -1.26 -1.32 115.64 120.74 2zml s THR 46 Ca 0.12 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.04 2zml s THR 46 Cb -0.10 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2zml s THR 46 CO 0.01 0.04 0.39 -0.83 -0.69 0.00 0.00 174.62 173.55 2zml s GLY 47 N 0.85 -0.25 0.10 4.40 0.00 -1.01 -1.33 107.32 110.07 2zml s GLY 47 Ca -0.06 0.44 0.02 0.00 0.00 0.00 0.00 44.72 45.12 2zml s GLY 47 CO -0.05 0.19 -0.07 0.50 0.00 0.00 0.00 173.10 173.68 2zml s ARG 48 N -1.73 0.82 -0.11 2.90 0.52 -1.06 -1.73 118.95 118.56 2zml s ARG 48 Ca -0.10 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.78 2zml s ARG 48 Cb -0.03 -0.23 0.06 0.00 0.52 0.00 0.00 34.95 35.27 2zml s ARG 48 CO 0.03 -0.01 0.15 0.00 0.02 0.00 0.00 175.30 175.49 2zml s ALA 49 N -3.44 -0.06 0.09 2.13 0.00 -0.40 -1.32 121.76 118.75 2zml s ALA 49 Ca 0.10 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.49 2zml s ALA 49 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2zml s ALA 49 CO -0.04 -0.76 -0.14 -0.51 0.00 0.00 0.00 175.76 174.32 2zml s LEU 50 N 2.27 2.87 -0.02 0.00 2.01 -0.30 -1.22 118.68 124.29 2zml s LEU 50 Ca 0.04 -0.43 -0.30 0.00 0.01 0.00 0.00 54.13 53.45 2zml s LEU 50 Cb -0.13 -1.69 -0.05 0.00 0.01 0.00 0.00 46.19 44.33 2zml s LEU 50 CO -0.07 0.20 1.30 -0.47 1.01 0.00 0.00 176.35 178.32 2zml s TYR 51 N -1.12 3.04 0.27 0.29 5.04 -0.68 0.01 117.35 124.20 2zml s TYR 51 Ca 0.19 1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 55.84 2zml s TYR 51 Cb -0.11 -3.55 0.62 0.00 0.35 0.00 0.00 41.96 39.28 2zml s TYR 51 CO 0.11 -1.89 1.67 0.00 -1.34 0.00 0.00 175.55 174.10 2zml h ALA 52 N 7.58 1.20 -2.59 3.97 0.00 -0.59 -3.42 119.26 125.40 2zml h ALA 52 Ca -0.37 0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 2zml h ALA 52 Cb 1.17 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2zml h ALA 52 CO 0.89 -0.38 -0.04 -1.59 0.00 0.00 0.00 179.25 178.12 2zml s LYS 53 N -5.96 4.05 0.47 0.00 -2.85 -1.26 -5.00 119.74 109.19 2zml s LYS 53 Ca -0.12 0.58 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 2zml s LYS 53 Cb 0.24 -2.95 -0.09 0.00 -2.06 0.00 0.00 37.83 32.97 2zml s LYS 53 CO 0.77 0.48 0.99 -1.25 0.10 0.00 0.00 175.35 176.44 2zml s PRO 54 N -1.87 3.99 0.05 1.78 0.04 -1.26 -4.84 135.00 132.89 2zml s PRO 54 Ca 0.38 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2zml s PRO 54 Cb -0.16 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2zml s PRO 54 CO 0.19 -0.25 -0.17 0.14 0.04 0.00 0.00 177.00 176.96 2zml s VAL 55 N -2.24 2.90 -0.38 -0.36 -7.23 -0.21 -4.93 120.40 107.95 2zml s VAL 55 Ca 0.63 -1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 59.43 2zml s VAL 55 Cb -0.12 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2zml s VAL 55 CO 0.20 0.29 0.39 -1.58 -0.31 0.00 0.00 175.10 174.09 2zml s GLN 56 N -1.59 3.29 0.20 4.82 0.74 -1.26 -1.18 119.66 124.68 2zml s GLN 56 Ca 0.16 -0.64 0.23 0.00 0.05 0.00 0.00 55.36 55.16 2zml s GLN 56 Cb -0.11 -3.90 0.14 0.00 1.10 0.00 0.00 33.01 30.25 2zml s GLN 56 CO 0.07 -0.69 1.19 -0.39 -0.55 0.00 0.00 175.29 174.91 2zml h VAL 57 N 5.63 0.00 -2.44 1.34 -1.51 -1.45 -3.45 116.25 114.37 2zml h VAL 57 Ca -0.28 -0.83 -0.04 0.00 -1.23 0.00 0.00 66.70 64.32 2zml h VAL 57 Cb 1.13 1.41 -0.16 0.00 -2.13 0.00 0.00 31.29 31.53 2zml h VAL 57 CO 0.74 0.00 0.20 -1.66 -1.23 0.00 0.00 177.57 175.62 2zml s TRP 58 N -3.29 -0.61 -0.20 5.19 1.48 -1.22 0.87 118.94 121.18 2zml s TRP 58 Ca 0.02 0.77 -0.01 0.00 -1.06 0.00 0.00 56.10 55.83 2zml s TRP 58 Cb 0.10 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 2zml s TRP 58 CO 0.76 -0.72 -0.14 0.34 -4.06 0.00 0.00 176.95 173.13 2zml s ASP 59 N -1.88 3.60 0.50 -2.66 2.15 -0.62 -4.60 116.67 113.17 2zml s ASP 59 Ca -0.06 -0.56 0.25 0.00 0.43 0.00 0.00 52.55 52.61 2zml s ASP 59 Cb -0.00 -1.58 1.35 0.00 -0.30 0.00 0.00 42.92 42.38 2zml s ASP 59 CO -0.00 -0.01 2.05 0.77 -0.17 0.00 0.00 175.17 177.81 2zml h SER 60 N 8.01 0.00 0.12 -0.34 4.64 -1.93 0.74 113.55 124.80 2zml h SER 60 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2zml h SER 60 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2zml h SER 60 CO 0.62 0.14 -0.06 0.74 -0.87 0.00 0.00 176.83 177.40 2zml h THR 61 N 0.00 1.05 0.00 2.95 2.02 -1.94 -3.32 112.91 113.67 2zml h THR 61 Ca -0.00 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2zml h THR 61 Cb 0.34 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2zml h THR 61 CO 0.02 0.19 -1.38 0.35 0.37 0.00 0.00 175.52 175.06 2zml n THR 62 N -4.99 0.49 -0.24 3.16 -2.24 -1.17 -4.96 114.28 104.33 2zml n THR 62 Ca -0.09 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2zml n THR 62 Cb 0.23 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2zml n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zml n GLY 63 N 1.24 1.99 3.76 3.38 0.00 0.26 -5.01 105.19 110.80 2zml n GLY 63 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2zml n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2zml s ASN 64 N -3.44 5.41 0.05 1.61 0.02 -1.22 -4.77 114.94 112.60 2zml s ASN 64 Ca 0.00 2.47 0.09 0.00 -1.02 0.00 0.00 52.86 54.39 2zml s ASN 64 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 2zml s ASN 64 CO 0.00 -1.45 -0.23 -0.69 0.02 0.00 0.00 177.10 174.75 2zml s VAL 65 N -1.51 2.39 0.52 1.60 1.01 -1.26 -1.59 120.40 121.56 2zml s VAL 65 Ca 0.73 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2zml s VAL 65 Cb -0.33 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 2zml s VAL 65 CO 0.37 0.32 0.96 0.00 0.00 0.00 0.00 175.10 176.75 2zml s ALA 66 N -0.88 3.12 0.03 5.51 0.00 0.25 -4.54 121.76 125.26 2zml s ALA 66 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2zml s ALA 66 Cb -0.10 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2zml s ALA 66 CO 0.04 -0.30 -0.12 -1.12 0.00 0.00 0.00 175.76 174.26 2zml s SER 67 N -3.34 4.24 0.11 0.00 0.01 -0.70 -4.37 113.70 109.65 2zml s SER 67 Ca 0.57 -0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.45 2zml s SER 67 Cb -0.10 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 2zml s SER 67 CO 0.36 0.26 0.22 0.72 0.41 0.00 0.00 173.24 175.22 2zml s PHE 68 N -0.99 0.21 -0.01 2.43 -0.12 -1.07 -0.67 117.98 117.76 2zml s PHE 68 Ca 0.16 -0.62 -0.00 0.00 -0.05 0.00 0.00 56.93 56.43 2zml s PHE 68 Cb -0.11 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2zml s PHE 68 CO 0.07 -0.60 0.01 -2.00 -0.05 0.00 0.00 175.22 172.66 2zml s GLU 69 N -3.89 -0.01 -0.01 1.99 2.12 0.67 -1.18 118.70 118.39 2zml s GLU 69 Ca 0.08 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 2zml s GLU 69 Cb 0.04 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2zml s GLU 69 CO -0.08 -0.07 0.01 -0.08 -0.54 0.00 0.00 175.26 174.51 2zml s THR 70 N 0.43 -0.00 0.01 -1.70 -1.32 -0.11 -1.00 115.64 111.95 2zml s THR 70 Ca -0.04 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 2zml s THR 70 Cb -0.05 -0.03 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 2zml s THR 70 CO -0.01 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.14 2zml s ARG 71 N 0.01 0.93 0.17 7.08 0.52 -0.61 -0.92 118.95 126.14 2zml s ARG 71 Ca -0.00 -0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 2zml s ARG 71 Cb -0.00 -0.91 0.06 0.00 0.52 0.00 0.00 34.95 34.62 2zml s ARG 71 CO 0.00 0.24 0.63 -0.59 0.02 0.00 0.00 175.30 175.60 2zml s PHE 72 N -0.54 -0.47 -0.02 -0.53 -0.71 -0.92 -0.86 117.98 113.93 2zml s PHE 72 Ca 0.03 0.23 0.07 0.00 -1.04 0.00 0.00 56.93 56.22 2zml s PHE 72 Cb -0.06 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2zml s PHE 72 CO 0.00 -0.90 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.64 2zml s SER 73 N -2.77 2.67 0.20 1.98 0.01 -0.98 -1.17 113.70 113.64 2zml s SER 73 Ca 0.03 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2zml s SER 73 Cb -0.02 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2zml s SER 73 CO -0.10 0.28 0.08 0.72 0.41 0.00 0.00 173.24 174.63 2zml s PHE 74 N -0.53 1.22 -0.08 2.43 -0.12 -0.82 0.40 117.98 120.48 2zml s PHE 74 Ca 0.09 -1.22 -0.04 0.00 -0.05 0.00 0.00 56.93 55.70 2zml s PHE 74 Cb -0.09 -0.67 0.04 0.00 -0.63 0.00 0.00 43.02 41.67 2zml s PHE 74 CO -0.01 -0.45 0.18 0.45 -0.05 0.00 0.00 175.22 175.34 2zml s SER 75 N -3.19 -0.16 -0.21 1.98 0.15 0.20 -1.33 113.70 111.13 2zml s SER 75 Ca 0.33 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.36 2zml s SER 75 Cb 0.07 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2zml s SER 75 CO 0.09 -0.13 -0.11 -0.63 1.20 0.00 0.00 173.24 173.65 2zml s ILE 76 N 0.97 1.79 -0.27 6.45 1.01 -1.26 -1.73 121.20 128.16 2zml s ILE 76 Ca -0.07 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 2zml s ILE 76 Cb -0.09 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 2zml s ILE 76 CO -0.05 0.15 0.06 -0.60 0.00 0.00 0.00 174.94 174.50 2zml s ARG 77 N 1.32 3.28 -0.78 2.79 3.52 -1.25 -1.12 118.95 126.69 2zml s ARG 77 Ca -0.02 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 2zml s ARG 77 Cb -0.17 -3.32 0.21 0.00 -1.56 0.00 0.00 34.95 30.11 2zml s ARG 77 CO -0.08 -0.35 0.69 -0.65 -0.81 0.00 0.00 175.30 174.11 2zml s GLN 78 N 1.53 3.36 0.23 5.12 -0.21 -1.26 -2.63 119.66 125.81 2zml s GLN 78 Ca 0.04 -2.50 -0.07 0.00 0.02 0.00 0.00 55.36 52.85 2zml s GLN 78 Cb -0.16 -4.26 0.22 0.00 1.00 0.00 0.00 33.01 29.80 2zml s GLN 78 CO 0.02 -1.26 1.85 -1.35 -2.12 0.00 0.00 175.29 172.43 2zml h PRO 79 N 7.56 1.25 -3.98 2.91 0.11 -1.96 -3.38 132.00 134.50 2zml h PRO 79 Ca 0.08 -0.15 -0.72 0.00 0.11 0.00 0.00 66.00 65.32 2zml h PRO 79 Cb 1.02 -0.24 -0.32 0.00 0.11 0.00 0.00 31.00 31.56 2zml h PRO 79 CO 0.74 0.92 -0.34 -0.06 -0.21 0.00 0.00 178.00 179.05 2zml s PHE 80 N -5.80 3.49 0.20 0.65 0.08 -1.26 -4.96 117.98 110.39 2zml s PHE 80 Ca -0.13 -2.32 -0.13 0.00 0.12 0.00 0.00 56.93 54.48 2zml s PHE 80 Cb 0.17 -3.38 0.24 0.00 -0.57 0.00 0.00 43.02 39.48 2zml s PHE 80 CO 0.83 -0.93 1.66 -1.35 -0.10 0.00 0.00 175.22 175.33 2zml h PRO 81 N 7.72 0.06 -6.66 0.24 0.11 -1.92 -3.40 132.00 128.16 2zml h PRO 81 Ca -0.08 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.36 2zml h PRO 81 Cb 1.02 -0.01 -0.18 0.00 0.11 0.00 0.00 31.00 31.93 2zml h PRO 81 CO 0.76 0.04 -0.79 1.03 -0.21 0.00 0.00 178.00 178.84 2zml s ARG 82 N -6.18 1.84 0.08 1.05 3.00 -1.26 -4.07 118.95 113.40 2zml s ARG 82 Ca -0.14 -1.20 -0.15 0.00 0.00 0.00 0.00 55.73 54.24 2zml s ARG 82 Cb 0.18 -2.12 -0.19 0.00 0.00 0.00 0.00 34.95 32.83 2zml s ARG 82 CO 0.73 0.47 1.25 -1.00 0.00 0.00 0.00 175.30 176.75 2zml h PRO 83 N 3.56 0.70 -0.97 3.54 0.13 -1.88 -3.48 132.00 133.59 2zml h PRO 83 Ca -0.49 -0.63 0.17 0.00 -0.87 0.00 0.00 66.00 64.19 2zml h PRO 83 Cb 1.18 0.15 -0.23 0.00 0.13 0.00 0.00 31.00 32.22 2zml h PRO 83 CO 0.48 1.23 0.19 -3.38 -0.23 0.00 0.00 178.00 176.29 2zml s HIS 84 N -3.58 -0.72 0.62 1.56 -3.43 -1.26 -5.13 115.29 103.35 2zml s HIS 84 Ca -0.11 1.17 -0.18 0.00 -0.80 0.00 0.00 55.06 55.15 2zml s HIS 84 Cb 0.07 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.61 2zml s HIS 84 CO 0.89 -0.36 1.20 -2.14 -2.00 0.00 0.00 174.74 172.32 2zml s PRO 85 N 2.53 2.83 0.07 -0.38 0.02 -1.26 -4.16 135.00 134.65 2zml s PRO 85 Ca -0.02 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.51 2zml s PRO 85 Cb -0.07 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.60 2zml s PRO 85 CO -0.17 -1.30 0.64 0.00 -0.33 0.00 0.00 177.00 175.83 2zml s ALA 86 N -1.74 -1.67 -0.07 -1.55 0.00 -1.26 -4.09 121.76 111.38 2zml s ALA 86 Ca 0.76 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2zml s ALA 86 Cb -0.29 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 2zml s ALA 86 CO 0.36 -0.61 -0.05 -0.25 0.00 0.00 0.00 175.76 175.21 2zml n ASP 87 N 0.13 3.49 0.00 0.00 9.92 0.16 -3.46 116.55 126.79 2zml n ASP 87 Ca -0.18 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 2zml n ASP 87 Cb 0.62 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2zml n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2zml n GLY 88 N 3.08 -0.21 3.02 0.44 0.00 -1.15 -1.19 105.19 109.18 2zml n GLY 88 Ca -0.12 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 2zml n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2zml s LEU 89 N 0.00 2.24 0.13 0.99 0.05 -0.98 -2.49 118.68 118.62 2zml s LEU 89 Ca 0.00 -0.50 0.05 0.00 0.05 0.00 0.00 54.13 53.72 2zml s LEU 89 Cb 0.00 -0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 44.07 2zml s LEU 89 CO 0.00 -0.24 -0.11 0.68 -0.55 0.00 0.00 176.35 176.13 2zml s VAL 90 N -1.36 1.15 -0.16 1.48 -7.23 0.45 -0.66 120.40 114.07 2zml s VAL 90 Ca -0.12 -1.86 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2zml s VAL 90 Cb -0.10 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2zml s VAL 90 CO -0.00 -0.61 0.00 0.12 -0.31 0.00 0.00 175.10 174.30 2zml s PHE 91 N -2.77 3.13 0.08 2.82 5.36 -0.47 -1.73 117.98 124.40 2zml s PHE 91 Ca 0.12 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 2zml s PHE 91 Cb -0.01 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 2zml s PHE 91 CO 0.01 0.10 0.04 -0.59 -1.46 0.00 0.00 175.22 173.32 2zml s PHE 92 N 0.20 0.57 -0.11 10.12 -0.71 0.33 -1.05 117.98 127.32 2zml s PHE 92 Ca 0.01 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 54.86 2zml s PHE 92 Cb -0.13 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.34 2zml s PHE 92 CO 0.02 -0.46 -0.10 0.42 -1.34 0.00 0.00 175.22 173.76 2zml s ILE 93 N -3.95 1.19 0.25 -4.49 1.01 0.06 -1.74 121.20 113.52 2zml s ILE 93 Ca 0.12 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 2zml s ILE 93 Cb 0.07 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2zml s ILE 93 CO -0.06 0.39 0.35 0.00 0.00 0.00 0.00 174.94 175.62 2zml s ALA 94 N 1.44 0.45 0.97 9.38 0.00 -0.91 -1.52 121.76 131.57 2zml s ALA 94 Ca 0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 2zml s ALA 94 Cb -0.13 1.21 0.15 0.00 0.00 0.00 0.00 23.12 24.34 2zml s ALA 94 CO -0.06 -0.75 0.94 -2.30 0.00 0.00 0.00 175.76 173.59 2zml n PRO 95 N -0.37 -0.76 -2.13 0.00 -0.02 -1.26 -0.67 135.00 129.78 2zml n PRO 95 Ca 0.00 -0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 2zml n PRO 95 Cb 0.63 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 2zml n PRO 95 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2zml s PRO 96 N -4.36 3.18 -1.04 0.52 0.02 -1.26 -4.17 135.00 127.88 2zml s PRO 96 Ca 0.65 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 63.14 2zml s PRO 96 Cb -0.23 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.35 2zml s PRO 96 CO 0.61 -1.00 0.65 0.27 -0.33 0.00 0.00 177.00 177.20 2zml n ASN 97 N -1.50 -4.46 -4.75 2.53 6.94 -1.26 -5.00 115.26 107.76 2zml n ASN 97 Ca 0.12 -1.16 -0.27 0.00 -0.02 0.00 0.00 54.58 53.25 2zml n ASN 97 Cb 0.51 -1.66 -0.06 0.00 -2.36 0.00 0.00 39.78 36.20 2zml n ASN 97 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2zml s THR 98 N -3.29 4.27 0.36 5.53 -4.23 -1.26 -5.12 115.64 111.90 2zml s THR 98 Ca 0.28 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 2zml s THR 98 Cb -0.15 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 2zml s THR 98 CO 0.94 -0.04 0.64 -1.10 -0.54 0.00 0.00 174.62 174.51 2zml s GLN 99 N -2.85 3.61 0.29 3.99 -1.52 -1.26 -5.02 119.66 116.90 2zml s GLN 99 Ca 0.29 0.07 -0.30 0.00 -1.95 0.00 0.00 55.36 53.47 2zml s GLN 99 Cb -0.10 -2.55 -0.13 0.00 -0.22 0.00 0.00 33.01 30.01 2zml s GLN 99 CO 0.21 0.08 1.35 2.41 -0.25 0.00 0.00 175.29 179.09 2zml n THR 100 N -1.41 1.48 -0.85 -0.19 -1.04 -1.26 -4.96 114.28 106.05 2zml n THR 100 Ca -0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2zml n THR 100 Cb 0.55 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 2zml n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zml n GLY 101 N 1.48 0.71 3.76 3.41 0.00 0.12 -4.97 105.19 109.70 2zml n GLY 101 Ca 0.08 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2zml n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2zml s GLU 102 N 1.54 3.06 0.00 1.61 2.56 0.07 -4.56 118.70 122.98 2zml s GLU 102 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 54.97 56.69 2zml s GLU 102 Cb 0.00 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.18 2zml s GLU 102 CO 0.00 -1.11 0.00 0.41 -0.56 0.00 0.00 175.26 174.00 2zml n GLY 103 N 0.31 1.21 7.00 -1.50 0.00 -1.26 -0.09 105.19 110.86 2zml n GLY 103 Ca 0.13 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2zml n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zml n GLY 104 N 5.00 2.34 0.00 -0.02 0.00 -1.26 -1.61 105.19 109.65 2zml n GLY 104 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2zml n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zml n GLY 105 N 0.00 -0.22 0.79 -0.02 0.00 -1.26 -1.08 105.19 103.40 2zml n GLY 105 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2zml n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zml n TYR 106 N -1.21 0.08 -0.38 1.61 4.01 -0.63 -4.95 117.16 115.70 2zml n TYR 106 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2zml n TYR 106 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2zml n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2zml n PHE 107 N 0.88 0.00 -0.57 -0.72 3.72 -0.24 -1.67 117.46 118.86 2zml n PHE 107 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2zml n PHE 107 Cb 0.49 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.82 2zml n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2zml n GLY 108 N -0.89 0.70 0.00 1.37 0.00 0.87 -3.37 105.19 103.87 2zml n GLY 108 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.91 2zml n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2zml n ILE 109 N -2.57 0.00 -4.49 -0.61 -5.35 -0.67 0.12 119.36 105.79 2zml n ILE 109 Ca 0.00 -0.26 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 2zml n ILE 109 Cb 0.00 0.70 -0.12 0.00 -1.74 0.00 0.00 39.64 38.48 2zml n ILE 109 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2zml s TYR 110 N -2.03 2.98 -0.36 4.28 5.04 -1.21 -4.74 117.35 121.31 2zml s TYR 110 Ca 0.00 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 2zml s TYR 110 Cb 0.05 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.56 2zml s TYR 110 CO 0.29 -0.03 0.15 1.21 -1.34 0.00 0.00 175.55 175.82 2zml s ASN 111 N 0.25 3.96 0.37 4.32 2.47 -1.26 -0.75 114.94 124.30 2zml s ASN 111 Ca -0.04 -2.08 0.13 0.00 0.42 0.00 0.00 52.86 51.29 2zml s ASN 111 Cb -0.14 -1.01 0.94 0.00 -1.45 0.00 0.00 41.25 39.58 2zml s ASN 111 CO 0.03 -0.35 1.82 -0.65 -3.72 0.00 0.00 177.10 174.23 2zml h PRO 112 N 7.51 0.54 0.25 0.43 0.11 -1.98 0.16 132.00 139.02 2zml h PRO 112 Ca -0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2zml h PRO 112 Cb 0.98 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2zml h PRO 112 CO 0.48 0.36 -0.12 1.37 -0.21 0.00 0.00 178.00 179.88 2zml h LEU 113 N 0.56 -0.28 -6.76 2.35 -0.00 -2.05 -3.37 115.31 105.75 2zml h LEU 113 Ca 0.52 0.01 -0.63 0.00 -0.00 0.00 0.00 57.88 57.78 2zml h LEU 113 Cb 1.08 0.07 -0.41 0.00 -0.00 0.00 0.00 40.66 41.41 2zml h LEU 113 CO -0.26 -0.19 -0.45 -1.54 -0.00 0.00 0.00 178.44 176.00 2zml n SER 114 N -2.99 3.63 -4.74 0.17 3.41 -1.07 -5.08 113.62 106.94 2zml n SER 114 Ca -0.04 -3.31 -0.41 0.00 -0.26 0.00 0.00 58.87 54.85 2zml n SER 114 Cb 0.13 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 2zml n SER 114 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2zml s PRO 115 N -1.92 4.21 0.07 4.33 0.02 0.55 -4.73 135.00 137.54 2zml s PRO 115 Ca 0.31 2.40 0.09 0.00 0.02 0.00 0.00 61.00 63.82 2zml s PRO 115 Cb 0.03 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 2zml s PRO 115 CO -0.09 -0.51 -0.25 1.52 -0.33 0.00 0.00 177.00 177.33 2zml s TYR 116 N 0.17 2.19 0.68 6.54 -0.85 -1.26 -5.04 117.35 119.78 2zml s TYR 116 Ca 0.62 -0.40 -0.16 0.00 -0.52 0.00 0.00 57.07 56.62 2zml s TYR 116 Cb -0.44 -1.27 0.01 0.00 0.38 0.00 0.00 41.96 40.64 2zml s TYR 116 CO 0.43 0.18 1.18 -1.25 -1.52 0.00 0.00 175.55 174.57 2zml s PRO 117 N -1.49 2.48 -0.04 -3.49 0.04 -1.26 -4.94 135.00 126.30 2zml s PRO 117 Ca 0.11 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 2zml s PRO 117 Cb -0.10 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2zml s PRO 117 CO 0.03 -1.55 0.90 -0.59 0.04 0.00 0.00 177.00 175.84 2zml s PHE 118 N -2.02 -0.37 -0.08 0.56 -0.12 -1.26 -4.16 117.98 110.54 2zml s PHE 118 Ca 0.73 0.35 0.03 0.00 -0.05 0.00 0.00 56.93 57.99 2zml s PHE 118 Cb -0.27 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2zml s PHE 118 CO 0.42 -0.50 -0.18 0.08 -0.05 0.00 0.00 175.22 174.99 2zml s VAL 119 N -2.59 1.55 0.02 -2.49 1.01 -0.58 -0.17 120.40 117.15 2zml s VAL 119 Ca 0.03 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 2zml s VAL 119 Cb -0.01 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2zml s VAL 119 CO -0.06 0.45 0.21 0.00 0.00 0.00 0.00 175.10 175.70 2zml s ALA 120 N 0.44 -0.48 -0.22 5.51 0.00 0.07 -0.76 121.76 126.33 2zml s ALA 120 Ca -0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2zml s ALA 120 Cb -0.16 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2zml s ALA 120 CO 0.06 -0.30 -0.06 0.08 0.00 0.00 0.00 175.76 175.54 2zml s VAL 121 N -1.94 3.18 0.10 0.00 1.01 -0.21 -0.28 120.40 122.26 2zml s VAL 121 Ca -0.10 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2zml s VAL 121 Cb -0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2zml s VAL 121 CO -0.00 0.42 0.03 -1.83 0.00 0.00 0.00 175.10 173.72 2zml s GLU 122 N 1.45 2.65 -0.59 2.72 -1.05 0.03 -1.37 118.70 122.53 2zml s GLU 122 Ca 0.05 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.09 2zml s GLU 122 Cb -0.14 -2.58 0.15 0.00 -0.44 0.00 0.00 34.13 31.12 2zml s GLU 122 CO -0.05 0.53 0.37 -0.06 0.95 0.00 0.00 175.26 177.01 2zml s PHE 123 N -1.41 3.04 -0.15 4.83 0.08 0.16 -1.37 117.98 123.16 2zml s PHE 123 Ca 0.27 -3.09 -0.28 0.00 0.12 0.00 0.00 56.93 53.96 2zml s PHE 123 Cb -0.11 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 2zml s PHE 123 CO 0.20 -0.66 0.94 0.34 -0.10 0.00 0.00 175.22 175.93 2zml s ASP 124 N -0.72 7.10 -0.01 1.36 -1.08 -0.64 -2.31 116.67 120.37 2zml s ASP 124 Ca 0.22 1.35 0.10 0.00 -0.52 0.00 0.00 52.55 53.70 2zml s ASP 124 Cb -0.14 -2.51 -0.13 0.00 -1.46 0.00 0.00 42.92 38.69 2zml s ASP 124 CO -0.09 -0.46 0.34 0.35 0.52 0.00 0.00 175.17 175.83 2zml n THR 125 N 4.74 0.00 -5.05 1.71 -2.24 -0.33 -1.74 114.28 111.37 2zml n THR 125 Ca 0.07 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 2zml n THR 125 Cb 0.48 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 2zml n THR 125 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2zml s PHE 126 N -2.24 2.58 -0.60 4.78 5.36 -1.15 -4.72 117.98 122.00 2zml s PHE 126 Ca 0.01 -0.47 -0.22 0.00 -0.96 0.00 0.00 56.93 55.29 2zml s PHE 126 Cb 0.07 -1.64 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 2zml s PHE 126 CO 0.41 -0.05 0.87 0.50 -1.46 0.00 0.00 175.22 175.50 2zml s ARG 127 N -0.34 3.16 0.81 10.12 3.52 -1.26 -4.96 118.95 130.00 2zml s ARG 127 Ca 0.02 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 2zml s ARG 127 Cb -0.12 -4.16 0.11 0.00 -1.56 0.00 0.00 34.95 29.22 2zml s ARG 127 CO 0.02 -1.59 1.15 -0.80 -0.81 0.00 0.00 175.30 173.26 2zml s ASN 128 N 3.28 4.17 0.50 -2.12 -0.87 -1.26 -4.91 114.94 113.73 2zml s ASN 128 Ca 0.22 0.39 0.20 0.00 -1.57 0.00 0.00 52.86 52.09 2zml s ASN 128 Cb -0.17 -0.78 1.27 0.00 -0.02 0.00 0.00 41.25 41.54 2zml s ASN 128 CO 0.12 -2.05 2.04 0.71 -2.57 0.00 0.00 177.10 175.36 2zml h THR 129 N -1.02 0.86 -0.08 1.60 1.35 -2.00 -1.16 112.91 112.47 2zml h THR 129 Ca -0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2zml h THR 129 Cb 1.29 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2zml h THR 129 CO 0.53 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.15 2zml n TRP 130 N -4.45 0.09 -3.91 4.73 2.14 -1.26 -4.95 117.44 109.82 2zml n TRP 130 Ca 0.06 -0.04 -0.26 0.00 2.07 0.00 0.00 57.50 59.32 2zml n TRP 130 Cb 0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.85 2zml n TRP 130 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2zml s ASP 131 N -1.83 6.34 0.61 -0.67 1.01 -0.44 -4.89 116.67 116.80 2zml s ASP 131 Ca 0.36 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.80 2zml s ASP 131 Cb 0.20 -1.92 0.08 0.00 1.01 0.00 0.00 42.92 42.28 2zml s ASP 131 CO 0.31 0.03 0.51 -0.81 0.21 0.00 0.00 175.17 175.42 2zml n PRO 132 N -0.65 0.16 -1.65 8.23 -0.04 -1.26 -4.79 135.00 135.00 2zml n PRO 132 Ca -0.07 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 61.67 2zml n PRO 132 Cb 0.54 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.64 2zml n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2zml n GLN 133 N -1.97 1.58 -4.25 0.54 7.27 -1.26 -4.85 117.38 114.45 2zml n GLN 133 Ca 0.08 0.57 -0.23 0.00 0.07 0.00 0.00 57.00 57.48 2zml n GLN 133 Cb 0.29 -2.17 -0.07 0.00 2.41 0.00 0.00 30.24 30.70 2zml n GLN 133 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2zml s ILE 134 N -1.23 3.69 0.67 1.69 -5.25 -1.26 -4.31 121.20 115.20 2zml s ILE 134 Ca 0.62 -1.74 -0.11 0.00 -0.99 0.00 0.00 60.65 58.44 2zml s ILE 134 Cb -0.54 -2.96 -0.01 0.00 2.95 0.00 0.00 42.46 41.90 2zml s ILE 134 CO 0.57 -0.33 1.05 -2.84 -1.79 0.00 0.00 174.94 171.61 2zml s PRO 135 N -3.59 3.11 0.04 0.37 0.02 -1.26 -4.98 135.00 128.72 2zml s PRO 135 Ca 0.31 0.92 -0.18 0.00 0.02 0.00 0.00 61.00 62.07 2zml s PRO 135 Cb -0.07 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.47 2zml s PRO 135 CO 0.21 -0.96 0.41 -3.38 -0.33 0.00 0.00 177.00 172.94 2zml s HIS 136 N -3.05 -0.26 0.02 6.54 -3.43 -0.71 -2.32 115.29 112.08 2zml s HIS 136 Ca 0.58 0.23 -0.10 0.00 -0.80 0.00 0.00 55.06 54.96 2zml s HIS 136 Cb -0.13 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 2zml s HIS 136 CO 0.54 -0.56 0.35 0.42 -2.00 0.00 0.00 174.74 173.49 2zml s ILE 137 N -2.41 5.16 0.01 -5.38 1.01 0.14 -1.63 121.20 118.10 2zml s ILE 137 Ca -0.06 0.48 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 2zml s ILE 137 Cb -0.01 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2zml s ILE 137 CO -0.02 0.43 0.11 -0.83 0.00 0.00 0.00 174.94 174.62 2zml s GLY 138 N -1.47 0.08 -0.25 6.18 0.00 -0.47 -1.44 107.32 109.95 2zml s GLY 138 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 2zml s GLY 138 CO 0.15 -0.35 0.05 -0.42 0.00 0.00 0.00 173.10 172.53 2zml s ILE 139 N -1.42 4.07 -0.13 0.90 1.01 -0.88 -0.79 121.20 123.95 2zml s ILE 139 Ca -0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2zml s ILE 139 Cb -0.08 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2zml s ILE 139 CO 0.01 0.31 -0.09 -1.81 0.00 0.00 0.00 174.94 173.36 2zml s ASP 140 N 1.57 4.39 -0.27 3.58 1.01 0.61 -0.76 116.67 126.81 2zml s ASP 140 Ca 0.06 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.12 2zml s ASP 140 Cb -0.15 -1.62 0.07 0.00 1.01 0.00 0.00 42.92 42.23 2zml s ASP 140 CO 0.02 0.19 -0.04 -0.69 0.21 0.00 0.00 175.17 174.86 2zml s VAL 141 N 0.22 1.85 0.00 -1.27 1.01 -1.26 -0.75 120.40 120.20 2zml s VAL 141 Ca -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2zml s VAL 141 Cb -0.15 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2zml s VAL 141 CO 0.04 -0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.51 2zml n ASN 142 N 4.52 -3.97 -3.66 3.32 3.02 0.76 -4.86 115.26 114.39 2zml n ASN 142 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 2zml n ASN 142 Cb 0.43 -2.91 -0.04 0.00 -0.61 0.00 0.00 39.78 36.64 2zml n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2zml s SER 143 N -1.77 -0.26 0.00 6.41 0.15 -1.26 -4.89 113.70 112.08 2zml s SER 143 Ca 0.00 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.54 2zml s SER 143 Cb 0.00 0.51 0.66 0.00 -1.71 0.00 0.00 66.02 65.48 2zml s SER 143 CO 0.00 -0.93 1.52 0.52 1.20 0.00 0.00 173.24 175.56 2zml n VAL 144 N -0.27 0.02 -3.10 4.45 0.31 -1.26 -4.61 118.33 113.86 2zml n VAL 144 Ca -0.14 -0.37 -0.45 0.00 -0.01 0.00 0.00 64.34 63.37 2zml n VAL 144 Cb 0.63 0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 34.47 2zml n VAL 144 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2zml s ILE 145 N -1.98 5.10 0.45 2.52 1.01 -1.26 -5.00 121.20 122.04 2zml s ILE 145 Ca 0.34 -1.91 -0.21 0.00 0.00 0.00 0.00 60.65 58.86 2zml s ILE 145 Cb 0.20 -4.64 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 2zml s ILE 145 CO 0.32 -1.29 0.47 -1.20 0.00 0.00 0.00 174.94 173.24 2zml n SER 146 N 5.47 -1.20 0.09 3.58 7.64 -1.26 -4.82 113.62 123.12 2zml n SER 146 Ca 0.18 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.71 2zml n SER 146 Cb 0.48 -1.09 -0.15 0.00 -1.01 0.00 0.00 64.21 62.44 2zml n SER 146 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2zml h THR 147 N 0.64 1.16 -3.95 0.44 1.35 -1.33 -3.46 112.91 107.75 2zml h THR 147 Ca -0.41 -2.71 -0.31 0.00 -0.55 0.00 0.00 66.41 62.43 2zml h THR 147 Cb 1.41 2.86 -0.24 0.00 -1.73 0.00 0.00 68.15 70.44 2zml h THR 147 CO 0.50 0.84 -0.75 -0.75 -0.25 0.00 0.00 175.52 175.11 2zml s LYS 148 N -2.61 0.54 -0.02 4.72 2.47 -1.25 -5.02 119.74 118.57 2zml s LYS 148 Ca -0.11 -0.58 -0.04 0.00 -1.56 0.00 0.00 55.97 53.69 2zml s LYS 148 Cb 0.06 -0.40 0.00 0.00 -1.46 0.00 0.00 37.83 36.02 2zml s LYS 148 CO 0.88 0.09 0.09 0.99 0.16 0.00 0.00 175.35 177.56 2zml s THR 149 N -0.92 0.04 -0.06 3.43 2.01 -1.26 -2.08 115.64 116.80 2zml s THR 149 Ca -0.05 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 2zml s THR 149 Cb -0.07 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.25 2zml s THR 149 CO 0.00 -0.16 0.13 0.54 -0.69 0.00 0.00 174.62 174.44 2zml s VAL 150 N -0.51 -0.05 0.47 3.82 0.11 -0.52 -4.98 120.40 118.75 2zml s VAL 150 Ca -0.06 0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 58.98 2zml s VAL 150 Cb -0.04 -0.22 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 2zml s VAL 150 CO 0.00 0.08 1.01 -2.16 -3.33 0.00 0.00 175.10 170.70 2zml s PRO 151 N 1.19 3.92 0.07 1.54 0.04 -1.26 0.25 135.00 140.74 2zml s PRO 151 Ca -0.09 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2zml s PRO 151 Cb -0.12 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2zml s PRO 151 CO -0.06 -0.32 0.28 -0.59 0.04 0.00 0.00 177.00 176.35 2zml s PHE 152 N -2.07 -0.04 -0.26 0.56 -0.12 -0.98 -4.86 117.98 110.21 2zml s PHE 152 Ca 0.65 -0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 57.23 2zml s PHE 152 Cb -0.14 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2zml s PHE 152 CO 0.19 -0.55 0.11 0.99 -0.05 0.00 0.00 175.22 175.91 2zml s THR 153 N -3.15 4.66 0.51 -4.49 2.01 -1.26 -3.98 115.64 109.94 2zml s THR 153 Ca -0.01 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 2zml s THR 153 Cb 0.01 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 2zml s THR 153 CO -0.07 0.31 1.14 -0.22 -0.69 0.00 0.00 174.62 175.09 2zml s LEU 154 N 1.64 3.86 -0.76 4.42 2.96 -1.26 -4.98 118.68 124.55 2zml s LEU 154 Ca 0.07 2.23 -0.10 0.00 -0.22 0.00 0.00 54.13 56.10 2zml s LEU 154 Cb -0.15 -4.44 0.20 0.00 0.50 0.00 0.00 46.19 42.29 2zml s LEU 154 CO 0.06 -1.10 0.66 -0.62 -1.32 0.00 0.00 176.35 174.03 2zml s ASP 155 N -1.61 6.24 -0.42 3.68 2.15 -1.26 -5.01 116.67 120.44 2zml s ASP 155 Ca 0.69 -2.76 -0.43 0.00 0.43 0.00 0.00 52.55 50.49 2zml s ASP 155 Cb -0.26 -2.09 -0.17 0.00 -0.30 0.00 0.00 42.92 40.10 2zml s ASP 155 CO 0.30 -0.50 1.88 -3.20 -0.17 0.00 0.00 175.17 173.48 2zml n ASN 156 N 3.79 1.51 0.00 -0.34 2.85 -1.26 0.98 115.26 122.79 2zml n ASN 156 Ca 0.12 0.90 0.00 0.00 -0.11 0.00 0.00 54.58 55.48 2zml n ASN 156 Cb 0.44 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.45 2zml n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2zml n GLY 157 N 5.47 0.53 3.95 8.20 0.00 -0.28 -4.93 105.19 118.12 2zml n GLY 157 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 2zml n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zml s GLY 158 N -2.00 1.78 -0.09 -0.02 0.00 0.27 -4.86 107.32 102.42 2zml s GLY 158 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.28 2zml s GLY 158 CO 0.00 -0.61 0.21 -0.42 0.00 0.00 0.00 173.10 172.29 2zml s ILE 159 N -3.75 5.38 -0.05 0.90 1.01 -1.26 -4.28 121.20 119.15 2zml s ILE 159 Ca 0.73 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.81 2zml s ILE 159 Cb -0.04 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 2zml s ILE 159 CO 0.51 0.60 -0.21 0.00 0.00 0.00 0.00 174.94 175.84 2zml s ALA 160 N -1.05 1.87 -0.15 9.38 0.00 -0.44 -4.19 121.76 127.17 2zml s ALA 160 Ca 0.18 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2zml s ALA 160 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2zml s ALA 160 CO 0.07 0.37 -0.03 -0.80 0.00 0.00 0.00 175.76 175.37 2zml s ASN 161 N -0.13 4.88 -0.04 0.00 0.01 0.10 -1.95 114.94 117.81 2zml s ASN 161 Ca -0.02 -0.10 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 2zml s ASN 161 Cb -0.12 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 2zml s ASN 161 CO 0.02 0.18 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.89 2zml s VAL 162 N 0.29 1.76 -0.12 1.60 1.01 -0.32 -0.58 120.40 124.05 2zml s VAL 162 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2zml s VAL 162 Cb -0.14 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2zml s VAL 162 CO 0.03 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 2zml s VAL 163 N -0.26 1.27 -0.10 2.92 1.01 -0.67 -2.16 120.40 122.41 2zml s VAL 163 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2zml s VAL 163 Cb -0.11 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2zml s VAL 163 CO 0.01 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.68 2zml s ILE 164 N 1.38 1.85 -0.01 2.22 1.01 -0.10 -0.56 121.20 126.99 2zml s ILE 164 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2zml s ILE 164 Cb -0.13 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2zml s ILE 164 CO -0.06 0.51 -0.10 -0.75 0.00 0.00 0.00 174.94 174.54 2zml s LYS 165 N 0.58 0.92 -0.12 2.79 2.20 -0.43 -0.93 119.74 124.74 2zml s LYS 165 Ca -0.14 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2zml s LYS 165 Cb -0.17 -0.88 0.02 0.00 -1.51 0.00 0.00 37.83 35.29 2zml s LYS 165 CO 0.04 0.20 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.64 2zml s TYR 166 N -0.12 1.89 -0.43 4.03 5.04 -0.33 -1.45 117.35 125.98 2zml s TYR 166 Ca 0.02 -0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 53.55 2zml s TYR 166 Cb -0.06 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.89 2zml s TYR 166 CO -0.00 -0.54 0.32 0.34 -1.34 0.00 0.00 175.55 174.34 2zml s ASP 167 N 1.30 6.06 0.24 4.32 2.15 -0.60 -2.61 116.67 127.53 2zml s ASP 167 Ca -0.01 -1.10 -0.07 0.00 0.43 0.00 0.00 52.55 51.81 2zml s ASP 167 Cb -0.14 -2.15 0.26 0.00 -0.30 0.00 0.00 42.92 40.60 2zml s ASP 167 CO -0.06 -0.52 1.90 0.00 -0.17 0.00 0.00 175.17 176.32 2zml h ALA 168 N 8.65 1.19 -0.42 3.66 0.00 -1.88 0.95 119.26 131.41 2zml h ALA 168 Ca -0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2zml h ALA 168 Cb 1.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2zml h ALA 168 CO 0.78 0.51 0.00 0.66 0.00 0.00 0.00 179.25 181.20 2zml h SER 169 N 1.20 0.64 0.00 0.00 4.64 -1.93 -3.13 113.55 114.97 2zml h SER 169 Ca 0.35 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2zml h SER 169 Cb -0.06 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2zml h SER 169 CO -0.10 0.71 -1.43 0.35 -0.87 0.00 0.00 176.83 175.48 2zml n THR 170 N -4.24 0.00 -1.86 2.95 -2.24 -1.10 -4.97 114.28 102.82 2zml n THR 170 Ca 0.02 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2zml n THR 170 Cb 0.28 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 2zml n THR 170 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2zml n LYS 171 N -1.84 -1.04 -3.33 -0.78 5.02 0.33 -4.93 118.16 111.57 2zml n LYS 171 Ca -0.00 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.73 2zml n LYS 171 Cb 0.41 -5.01 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 2zml n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2zml s ILE 172 N -2.61 5.20 -0.27 -0.18 1.01 -1.15 -1.21 121.20 121.97 2zml s ILE 172 Ca 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 61.50 2zml s ILE 172 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2zml s ILE 172 CO 0.00 0.32 0.03 -0.22 0.00 0.00 0.00 174.94 175.07 2zml s LEU 173 N 0.71 3.58 -0.07 2.97 2.96 0.46 -1.56 118.68 127.73 2zml s LEU 173 Ca 0.25 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2zml s LEU 173 Cb -0.15 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 2zml s LEU 173 CO 0.09 -0.15 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.39 2zml s HIS 174 N 1.46 2.05 0.04 5.38 -3.43 -0.53 -1.23 115.29 119.03 2zml s HIS 174 Ca 0.02 -0.70 0.09 0.00 -0.80 0.00 0.00 55.06 53.67 2zml s HIS 174 Cb -0.17 -1.38 -0.03 0.00 -1.43 0.00 0.00 32.58 29.57 2zml s HIS 174 CO 0.00 -0.27 -0.25 0.14 -2.00 0.00 0.00 174.74 172.36 2zml s VAL 175 N 0.19 2.04 -0.04 -5.38 -7.23 0.09 -1.32 120.40 108.77 2zml s VAL 175 Ca -0.10 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2zml s VAL 175 Cb -0.15 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 2zml s VAL 175 CO 0.05 0.36 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.31 2zml s VAL 176 N -0.78 1.60 -0.11 1.32 1.01 0.28 -1.91 120.40 121.81 2zml s VAL 176 Ca 0.11 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2zml s VAL 176 Cb -0.10 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2zml s VAL 176 CO 0.02 0.46 -0.16 -0.22 0.00 0.00 0.00 175.10 175.19 2zml s LEU 177 N -0.18 1.77 -0.04 3.92 2.96 0.54 -1.67 118.68 125.97 2zml s LEU 177 Ca 0.00 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2zml s LEU 177 Cb -0.11 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.47 2zml s LEU 177 CO 0.01 0.03 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.29 2zml s VAL 178 N 0.94 0.81 -0.61 1.68 1.01 0.25 -0.53 120.40 123.96 2zml s VAL 178 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2zml s VAL 178 Cb -0.15 -0.74 0.16 0.00 0.00 0.00 0.00 36.38 35.65 2zml s VAL 178 CO -0.01 0.26 0.43 -0.36 0.00 0.00 0.00 175.10 175.42 2zml s PHE 179 N 0.38 3.44 0.46 5.22 0.08 -0.94 0.02 117.98 126.64 2zml s PHE 179 Ca -0.06 -2.65 0.25 0.00 0.12 0.00 0.00 56.93 54.58 2zml s PHE 179 Cb -0.11 -3.23 1.26 0.00 -0.57 0.00 0.00 43.02 40.38 2zml s PHE 179 CO 0.01 -0.86 1.81 -1.00 -0.10 0.00 0.00 175.22 175.08 2zml h PRO 180 N 7.18 0.24 0.00 0.24 0.13 -1.86 0.15 132.00 138.08 2zml h PRO 180 Ca -0.03 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2zml h PRO 180 Cb 0.97 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2zml h PRO 180 CO 0.72 0.16 -0.33 0.77 -0.23 0.00 0.00 178.00 179.08 2zml h SER 181 N 0.24 0.00 0.00 1.44 0.02 -1.94 -3.19 113.55 110.13 2zml h SER 181 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 2zml h SER 181 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2zml h SER 181 CO -0.16 0.33 -1.41 0.18 -1.14 0.00 0.00 176.83 174.63 2zml n LEU 182 N -3.61 0.26 -0.25 5.07 4.77 -0.39 -4.99 117.00 117.87 2zml n LEU 182 Ca -0.01 -0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 55.77 2zml n LEU 182 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2zml n LEU 182 CO 0.36 0.07 -0.03 0.61 -1.33 0.00 0.00 177.39 177.06 2zml n GLY 183 N 1.50 0.63 3.81 -0.72 0.00 0.39 -5.01 105.19 105.78 2zml n GLY 183 Ca -0.01 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2zml n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zml s THR 184 N -2.00 4.61 -0.07 2.61 -4.23 -1.21 -4.95 115.64 110.40 2zml s THR 184 Ca 0.00 1.29 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 2zml s THR 184 Cb 0.00 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.94 2zml s THR 184 CO 0.00 0.39 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.72 2zml s ILE 185 N -1.31 1.10 -0.02 2.99 1.01 -1.26 -2.21 121.20 121.50 2zml s ILE 185 Ca 0.36 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2zml s ILE 185 Cb -0.19 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2zml s ILE 185 CO 0.21 0.35 -0.21 -0.31 0.00 0.00 0.00 174.94 174.98 2zml s TYR 186 N 0.83 1.97 0.03 3.97 2.02 0.31 -4.99 117.35 121.49 2zml s TYR 186 Ca -0.11 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2zml s TYR 186 Cb -0.15 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2zml s TYR 186 CO 0.02 -0.07 -0.08 -0.08 -1.57 0.00 0.00 175.55 173.77 2zml s THR 187 N -0.41 0.56 -0.12 -0.71 -1.32 -1.26 -0.34 115.64 112.03 2zml s THR 187 Ca 0.06 -0.82 -0.20 0.00 -1.21 0.00 0.00 61.69 59.51 2zml s THR 187 Cb -0.09 -0.57 0.05 0.00 -1.51 0.00 0.00 72.50 70.38 2zml s THR 187 CO -0.00 -0.20 0.51 -0.51 -2.21 0.00 0.00 174.62 172.21 2zml s ILE 188 N -0.96 0.01 0.08 5.08 2.07 -0.80 -4.98 121.20 121.70 2zml s ILE 188 Ca -0.05 -0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 58.96 2zml s ILE 188 Cb -0.07 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.76 2zml s ILE 188 CO 0.00 -0.06 0.26 0.00 -1.91 0.00 0.00 174.94 173.24 2zml s ALA 189 N -0.40 -0.50 0.15 1.50 0.00 -1.26 -0.73 121.76 120.53 2zml s ALA 189 Ca -0.05 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 2zml s ALA 189 Cb -0.03 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.60 2zml s ALA 189 CO 0.04 -0.49 0.80 0.34 0.00 0.00 0.00 175.76 176.44 2zml s ASP 190 N -2.54 -0.33 -0.22 0.00 2.15 -0.36 -4.99 116.67 110.38 2zml s ASP 190 Ca 0.01 -0.28 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 2zml s ASP 190 Cb 0.02 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.15 2zml s ASP 190 CO -0.08 -0.98 0.33 -0.63 -0.17 0.00 0.00 175.17 173.64 2zml s ILE 191 N -3.52 5.24 -0.04 4.11 1.01 -1.26 -0.40 121.20 126.33 2zml s ILE 191 Ca 0.08 0.55 0.01 0.00 0.00 0.00 0.00 60.65 61.29 2zml s ILE 191 Cb -0.02 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2zml s ILE 191 CO -0.02 0.27 -0.03 -0.69 0.00 0.00 0.00 174.94 174.46 2zml s VAL 192 N 1.31 0.45 -0.71 2.92 1.01 -0.35 -4.98 120.40 120.04 2zml s VAL 192 Ca 0.16 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2zml s VAL 192 Cb -0.14 -0.50 0.18 0.00 0.00 0.00 0.00 36.38 35.92 2zml s VAL 192 CO 0.07 0.21 0.66 -0.62 0.00 0.00 0.00 175.10 175.42 2zml s ASP 193 N 1.06 6.52 0.19 3.32 -1.08 -1.26 -4.72 116.67 120.69 2zml s ASP 193 Ca -0.09 -2.35 -0.13 0.00 -0.52 0.00 0.00 52.55 49.47 2zml s ASP 193 Cb -0.14 -2.20 0.19 0.00 -1.46 0.00 0.00 42.92 39.31 2zml s ASP 193 CO -0.01 -0.68 1.73 -0.07 0.52 0.00 0.00 175.17 176.66 2zml h LEU 194 N 8.19 0.07 -2.00 -1.34 3.38 -1.96 -1.38 115.31 120.27 2zml h LEU 194 Ca -0.05 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.21 2zml h LEU 194 Cb 1.06 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2zml h LEU 194 CO 0.86 0.06 0.52 0.50 0.09 0.00 0.00 178.44 180.48 2zml h LYS 195 N 0.28 0.00 0.00 1.13 3.64 -1.92 0.53 116.57 120.23 2zml h LYS 195 Ca 0.25 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2zml h LYS 195 Cb 0.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2zml h LYS 195 CO -0.30 0.00 -0.80 0.37 -2.27 0.00 0.00 179.45 176.45 2zml h GLN 196 N 0.00 0.00 0.00 1.90 5.75 -1.67 -3.40 115.11 117.69 2zml h GLN 196 Ca 0.34 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.69 2zml h GLN 196 Cb 1.38 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 2zml h GLN 196 CO -0.00 0.37 -1.68 1.33 -2.65 0.00 0.00 178.83 176.19 2zml n VAL 197 N -3.07 0.56 -4.39 2.39 0.24 -0.47 -5.05 118.33 108.54 2zml n VAL 197 Ca -0.02 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.34 61.63 2zml n VAL 197 Cb 0.74 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 32.52 2zml n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2zml s LEU 198 N -4.56 2.79 0.77 1.34 1.43 0.06 -4.71 118.68 115.80 2zml s LEU 198 Ca -0.05 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 2zml s LEU 198 Cb 0.04 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2zml s LEU 198 CO 0.44 0.05 1.11 -2.16 0.23 0.00 0.00 176.35 176.02 2zml s PRO 199 N -3.35 2.35 0.32 1.29 0.04 -1.26 -4.66 135.00 129.73 2zml s PRO 199 Ca 0.28 0.46 0.06 0.00 0.04 0.00 0.00 61.00 61.84 2zml s PRO 199 Cb -0.06 -1.96 0.71 0.00 0.04 0.00 0.00 34.50 33.22 2zml s PRO 199 CO 0.16 -1.39 1.84 0.93 0.04 0.00 0.00 177.00 178.58 2zml h GLU 200 N -0.92 0.79 -6.00 4.56 5.08 -1.96 -3.41 114.58 112.72 2zml h GLU 200 Ca -0.46 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.17 2zml h GLU 200 Cb 1.27 -0.18 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 2zml h GLU 200 CO 0.62 0.52 -0.74 -1.12 -1.00 0.00 0.00 179.01 177.30 2zml s SER 201 N -5.69 4.23 0.28 1.42 0.01 -1.26 -1.20 113.70 111.48 2zml s SER 201 Ca -0.11 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.00 2zml s SER 201 Cb 0.23 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 2zml s SER 201 CO 0.80 0.30 0.25 0.68 0.41 0.00 0.00 173.24 175.68 2zml s VAL 202 N -0.45 0.00 0.07 3.43 -7.23 -0.32 -4.22 120.40 111.68 2zml s VAL 202 Ca 0.06 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2zml s VAL 202 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2zml s VAL 202 CO 0.02 0.00 -0.15 0.20 -0.31 0.00 0.00 175.10 174.86 2zml s ASN 203 N -3.26 4.03 0.08 4.85 0.02 0.15 -1.04 114.94 119.76 2zml s ASN 203 Ca 0.38 -0.43 0.09 0.00 -1.02 0.00 0.00 52.86 51.88 2zml s ASN 203 Cb 0.04 -0.68 -0.03 0.00 0.02 0.00 0.00 41.25 40.59 2zml s ASN 203 CO 0.20 0.22 -0.24 0.68 0.02 0.00 0.00 177.10 177.98 2zml s VAL 204 N -1.06 1.95 -1.45 1.60 -7.23 -1.26 -2.13 120.40 110.81 2zml s VAL 204 Ca 0.17 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2zml s VAL 204 Cb -0.11 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2zml s VAL 204 CO 0.09 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2zml n GLY 205 N 1.41 -0.91 3.39 2.32 0.00 -0.71 -1.69 105.19 108.99 2zml n GLY 205 Ca -0.18 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2zml n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zml s PHE 206 N -3.00 1.93 -0.17 1.61 0.40 -0.36 -0.51 117.98 117.87 2zml s PHE 206 Ca 0.00 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 2zml s PHE 206 Cb 0.00 -0.88 0.05 0.00 0.51 0.00 0.00 43.02 42.70 2zml s PHE 206 CO 0.00 0.48 0.54 0.45 0.70 0.00 0.00 175.22 177.39 2zml s SER 207 N -3.28 -0.54 0.17 1.36 0.15 -0.70 -1.27 113.70 109.58 2zml s SER 207 Ca 0.24 0.97 -0.09 0.00 0.70 0.00 0.00 55.95 57.78 2zml s SER 207 Cb -0.03 0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 2zml s SER 207 CO 0.10 -0.25 0.28 0.00 1.20 0.00 0.00 173.24 174.57 2zml s ALA 208 N 0.01 0.06 -0.05 5.45 0.00 -0.71 -0.41 121.76 126.11 2zml s ALA 208 Ca -0.02 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2zml s ALA 208 Cb -0.04 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.04 2zml s ALA 208 CO 0.02 -0.65 0.57 0.00 0.00 0.00 0.00 175.76 175.69 2zml s ALA 209 N -3.98 -1.47 0.55 0.00 0.00 -1.04 -2.41 121.76 113.41 2zml s ALA 209 Ca 0.19 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.25 2zml s ALA 209 Cb 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2zml s ALA 209 CO 0.01 -0.33 0.48 0.95 0.00 0.00 0.00 175.76 176.87 2zml s THR 210 N -1.17 1.76 0.09 0.00 -4.23 -0.43 0.39 115.64 112.04 2zml s THR 210 Ca -0.11 -1.39 -0.36 0.00 -1.18 0.00 0.00 61.69 58.65 2zml s THR 210 Cb -0.02 -2.15 -0.18 0.00 1.34 0.00 0.00 72.50 71.49 2zml s THR 210 CO 0.08 0.00 1.06 0.61 -0.54 0.00 0.00 174.62 175.83 2zml n GLY 211 N -1.86 -0.29 3.75 3.99 0.00 0.15 -4.07 105.19 106.86 2zml n GLY 211 Ca 0.02 0.63 -0.40 0.00 0.00 0.00 0.00 46.02 46.27 2zml n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zml s ASP 212 N -0.07 7.60 0.31 1.61 2.15 -1.26 0.53 116.67 127.54 2zml s ASP 212 Ca 0.81 1.90 0.06 0.00 0.43 0.00 0.00 52.55 55.76 2zml s ASP 212 Cb -1.06 -2.60 0.76 0.00 -0.30 0.00 0.00 42.92 39.72 2zml s ASP 212 CO 0.54 0.12 1.77 -0.65 -0.17 0.00 0.00 175.17 176.78 2zml h PRO 213 N 4.46 0.72 0.00 4.34 0.11 -1.93 -1.03 132.00 138.67 2zml h PRO 213 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2zml h PRO 213 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2zml h PRO 213 CO 0.69 0.48 0.32 0.66 -0.21 0.00 0.00 178.00 179.93 2zml h SER 214 N 0.75 0.00 0.97 -2.05 4.64 -2.00 0.85 113.55 116.71 2zml h SER 214 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2zml h SER 214 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2zml h SER 214 CO -0.39 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 176.07 2zml n GLY 215 N -1.21 -1.48 2.45 -0.77 0.00 -0.39 -4.94 105.19 98.85 2zml n GLY 215 Ca -0.02 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2zml n GLY 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2zml n LYS 216 N -1.63 -1.55 -4.00 1.61 4.76 0.29 -4.97 118.16 112.67 2zml n LYS 216 Ca 0.06 1.07 -0.31 0.00 -2.87 0.00 0.00 58.31 56.26 2zml n LYS 216 Cb 0.36 -5.53 -0.15 0.00 -1.84 0.00 0.00 35.03 27.87 2zml n LYS 216 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2zml s GLN 217 N -4.12 1.74 0.49 1.97 -1.52 -1.26 -4.97 119.66 111.99 2zml s GLN 217 Ca 0.00 -1.41 0.32 0.00 -1.95 0.00 0.00 55.36 52.32 2zml s GLN 217 Cb 0.00 -2.85 1.32 0.00 -0.22 0.00 0.00 33.01 31.26 2zml s GLN 217 CO 0.00 -0.72 1.94 0.00 -0.25 0.00 0.00 175.29 176.25 2zml h ARG 218 N 7.79 0.00 -0.00 2.91 3.08 -1.96 -2.34 114.38 123.86 2zml h ARG 218 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2zml h ARG 218 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2zml h ARG 218 CO 0.47 0.00 -0.02 0.09 -1.07 0.00 0.00 179.97 179.44 2zml n ASN 219 N -2.91 0.02 -4.16 7.04 4.13 -1.26 -4.43 115.26 113.69 2zml n ASN 219 Ca 0.01 0.41 -0.41 0.00 1.68 0.00 0.00 54.58 56.27 2zml n ASN 219 Cb 0.28 -0.45 -0.02 0.00 -1.54 0.00 0.00 39.78 38.05 2zml n ASN 219 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2zml n ALA 220 N -1.48 3.97 -3.81 5.41 0.00 -0.88 -4.61 120.51 119.11 2zml n ALA 220 Ca 0.08 -3.68 -0.07 0.00 0.00 0.00 0.00 53.44 49.77 2zml n ALA 220 Cb 0.33 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.19 2zml n ALA 220 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2zml s THR 221 N 4.91 0.00 -0.02 0.00 -1.32 -1.25 0.31 115.64 118.27 2zml s THR 221 Ca 0.54 -1.03 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2zml s THR 221 Cb 0.08 -2.15 0.12 0.00 -1.51 0.00 0.00 72.50 69.04 2zml s THR 221 CO 0.03 0.00 1.29 -1.83 -2.21 0.00 0.00 174.62 171.90 2zml s GLU 222 N -3.67 0.40 0.41 7.08 -1.05 -1.24 -4.23 118.70 116.38 2zml s GLU 222 Ca 0.12 -0.23 -0.03 0.00 -0.15 0.00 0.00 54.97 54.69 2zml s GLU 222 Cb -0.06 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2zml s GLU 222 CO 0.08 -0.18 0.66 0.95 0.95 0.00 0.00 175.26 177.72 2zml s THR 223 N -2.35 5.00 -0.41 1.83 -4.23 -1.08 -4.84 115.64 109.56 2zml s THR 223 Ca 0.16 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2zml s THR 223 Cb 0.04 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 70.20 2zml s THR 223 CO -0.03 -0.68 0.36 1.41 -0.54 0.00 0.00 174.62 175.14 2zml n HIS 224 N -1.94 -1.00 -3.81 3.99 -0.00 -1.26 -3.95 115.22 107.24 2zml n HIS 224 Ca -0.02 -3.26 -0.36 0.00 -0.00 0.00 0.00 57.72 54.08 2zml n HIS 224 Cb 0.55 0.27 -0.07 0.00 -0.00 0.00 0.00 29.99 30.74 2zml n HIS 224 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2zml s ASP 225 N 0.00 6.27 -0.25 0.41 1.01 -0.71 -1.97 116.67 121.44 2zml s ASP 225 Ca 0.33 0.34 -0.07 0.00 0.71 0.00 0.00 52.55 53.86 2zml s ASP 225 Cb 0.05 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 2zml s ASP 225 CO -0.19 0.29 0.07 -0.63 0.21 0.00 0.00 175.17 174.92 2zml s ILE 226 N -0.30 4.30 -0.05 0.77 -1.09 0.00 -0.63 121.20 124.21 2zml s ILE 226 Ca 0.11 -0.18 0.13 0.00 -2.23 0.00 0.00 60.65 58.49 2zml s ILE 226 Cb -0.11 -3.01 -0.22 0.00 -1.58 0.00 0.00 42.46 37.54 2zml s ILE 226 CO 0.01 0.35 0.69 0.18 -1.23 0.00 0.00 174.94 174.93 2zml n LEU 227 N 4.87 0.88 -3.51 2.97 4.32 0.16 -1.77 117.00 124.92 2zml n LEU 227 Ca -0.16 0.42 -0.09 0.00 -0.02 0.00 0.00 56.01 56.15 2zml n LEU 227 Cb 0.51 0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 2zml n LEU 227 CO 0.31 0.36 0.57 -0.94 -1.22 0.00 0.00 177.39 176.47 2zml s SER 228 N -6.07 -0.42 -0.29 -1.43 1.04 -1.23 -4.25 113.70 101.06 2zml s SER 228 Ca -0.04 -0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.17 2zml s SER 228 Cb 0.08 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.81 2zml s SER 228 CO 0.82 -0.82 0.78 0.86 0.98 0.00 0.00 173.24 175.86 2zml s TRP 229 N -3.42 -0.96 0.01 5.02 -0.00 -0.54 -2.31 118.94 116.74 2zml s TRP 229 Ca 0.04 1.85 0.05 0.00 -0.00 0.00 0.00 56.10 58.05 2zml s TRP 229 Cb -0.01 0.57 -0.02 0.00 -0.00 0.00 0.00 33.47 34.01 2zml s TRP 229 CO -0.09 -0.47 -0.16 -1.54 -0.00 0.00 0.00 176.95 174.69 2zml s SER 230 N 1.77 1.89 0.01 5.86 1.04 -0.04 0.10 113.70 124.34 2zml s SER 230 Ca -0.09 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2zml s SER 230 Cb -0.06 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2zml s SER 230 CO -0.18 0.14 -0.03 0.12 0.98 0.00 0.00 173.24 174.26 2zml s PHE 231 N -0.60 0.26 -0.15 5.02 5.36 -0.02 -1.58 117.98 126.27 2zml s PHE 231 Ca 0.05 -0.17 -0.06 0.00 -0.96 0.00 0.00 56.93 55.78 2zml s PHE 231 Cb -0.07 -0.17 0.06 0.00 -0.34 0.00 0.00 43.02 42.51 2zml s PHE 231 CO 0.00 -0.04 0.33 0.45 -1.46 0.00 0.00 175.22 174.50 2zml s SER 232 N -0.46 -0.14 0.03 6.13 0.15 -0.17 -1.64 113.70 117.60 2zml s SER 232 Ca -0.03 0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.38 2zml s SER 232 Cb -0.03 0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 2zml s SER 232 CO -0.00 -0.21 -0.10 0.00 1.20 0.00 0.00 173.24 174.13 2zml s ALA 233 N 1.91 0.83 -0.08 5.45 0.00 -0.91 -0.24 121.76 128.71 2zml s ALA 233 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2zml s ALA 233 Cb -0.11 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2zml s ALA 233 CO -0.10 0.12 -0.07 -1.12 0.00 0.00 0.00 175.76 174.59 2zml s SER 234 N -1.07 1.75 -0.56 0.00 0.01 0.15 -3.02 113.70 110.97 2zml s SER 234 Ca -0.02 -0.23 -0.09 0.00 1.31 0.00 0.00 55.95 56.91 2zml s SER 234 Cb -0.07 -0.70 0.14 0.00 0.21 0.00 0.00 66.02 65.60 2zml s SER 234 CO 0.01 -0.08 0.44 -0.22 0.41 0.00 0.00 173.24 173.80 2zml s LEU 235 N 1.34 5.83 0.18 2.44 0.20 -0.84 -1.72 118.68 126.11 2zml s LEU 235 Ca -0.03 -2.18 -0.27 0.00 0.69 0.00 0.00 54.13 52.34 2zml s LEU 235 Cb -0.14 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2zml s LEU 235 CO -0.03 -0.64 1.55 1.55 -0.29 0.00 0.00 176.35 178.49 2zml h PRO 236 N 8.15 -0.05 -0.01 0.98 0.13 -1.86 -3.40 132.00 135.94 2zml h PRO 236 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2zml h PRO 236 Cb 1.05 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2zml h PRO 236 CO 0.83 -0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.98