#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pke s THR 2 N 0.00 2.25 0.41 0.00 -4.23 0.15 -4.95 115.64 109.27 1pke s THR 2 Ca 0.00 -1.79 0.21 0.00 -1.18 0.00 0.00 61.69 58.93 1pke s THR 2 Cb 0.00 -2.99 0.41 0.00 1.34 0.00 0.00 72.50 71.26 1pke s THR 2 CO 0.00 -0.01 1.74 -0.65 -0.54 0.00 0.00 174.62 175.16 1pke h PRO 3 N 1.54 0.31 -0.00 3.99 0.11 -2.02 -2.73 132.00 133.21 1pke h PRO 3 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pke h PRO 3 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pke h PRO 3 CO 0.73 0.21 -0.09 0.72 -0.21 0.00 0.00 178.00 179.35 1pke n HIS 4 N -4.64 0.00 -3.94 0.65 8.25 -1.26 -4.98 115.22 109.30 1pke n HIS 4 Ca 0.28 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.49 1pke n HIS 4 Cb 0.99 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.93 1pke n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pke s ILE 5 N -0.85 0.75 -0.99 1.59 1.01 -1.03 -4.70 121.20 116.98 1pke s ILE 5 Ca 0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1pke s ILE 5 Cb 0.04 -0.81 0.24 0.00 0.01 0.00 0.00 42.46 41.94 1pke s ILE 5 CO 0.11 0.31 0.98 0.21 0.00 0.00 0.00 174.94 176.56 1pke s ASN 6 N 1.63 7.06 0.31 3.58 2.47 -1.26 0.32 114.94 129.05 1pke s ASN 6 Ca 0.02 -3.14 -0.14 0.00 0.42 0.00 0.00 52.86 50.01 1pke s ASN 6 Cb -0.13 -2.22 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1pke s ASN 6 CO -0.05 -0.45 0.62 0.00 -3.72 0.00 0.00 177.10 173.50 1pke s ALA 7 N -0.43 -0.47 0.23 1.71 0.00 -1.26 -4.63 121.76 116.91 1pke s ALA 7 Ca 0.26 -0.80 0.12 0.00 0.00 0.00 0.00 51.96 51.54 1pke s ALA 7 Cb -0.10 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1pke s ALA 7 CO -0.08 -0.93 -0.22 -1.21 0.00 0.00 0.00 175.76 173.32 1pke s GLU 8 N -3.40 1.59 -0.21 0.00 0.41 -1.26 -0.46 118.70 115.37 1pke s GLU 8 Ca 0.19 -1.61 -0.38 0.00 -0.41 0.00 0.00 54.97 52.76 1pke s GLU 8 Cb -0.03 -1.82 -0.14 0.00 -1.78 0.00 0.00 34.13 30.36 1pke s GLU 8 CO 0.11 0.37 1.83 -0.12 -0.49 0.00 0.00 175.26 176.96 1pke n MET 9 N -0.08 1.55 0.00 1.61 0.00 -1.26 -0.97 117.12 117.97 1pke n MET 9 Ca -0.10 0.56 0.00 0.00 -0.00 0.00 0.00 57.70 58.17 1pke n MET 9 Cb 0.58 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.46 1pke n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pke n GLY 10 N 4.42 1.86 0.21 -5.12 0.00 -1.26 -4.96 105.19 100.34 1pke n GLY 10 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1pke n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pke h ASP 11 N 0.50 0.00 -3.05 1.61 3.32 -1.42 -3.43 116.42 113.95 1pke h ASP 11 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1pke h ASP 11 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1pke h ASP 11 CO 0.00 0.31 -0.62 -0.36 -1.72 0.00 0.00 179.24 176.86 1pke s PHE 12 N -3.95 3.08 0.80 4.55 0.40 -1.26 -4.73 117.98 116.87 1pke s PHE 12 Ca -0.02 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.20 1pke s PHE 12 Cb 0.13 -1.53 0.11 0.00 0.51 0.00 0.00 43.02 42.23 1pke s PHE 12 CO 0.67 0.51 1.14 0.00 0.70 0.00 0.00 175.22 178.25 1pke s ALA 13 N -1.52 2.80 -1.87 5.36 0.00 -1.26 -4.94 121.76 120.33 1pke s ALA 13 Ca 0.29 -0.96 0.23 0.00 0.00 0.00 0.00 51.96 51.52 1pke s ALA 13 Cb -0.11 -2.72 1.34 0.00 0.00 0.00 0.00 23.12 21.63 1pke s ALA 13 CO 0.21 -1.72 1.76 -0.40 0.00 0.00 0.00 175.76 175.61 1pke n ASP 14 N -3.26 0.00 -3.93 0.00 3.85 -1.26 -4.63 116.55 107.32 1pke n ASP 14 Ca 0.10 -0.58 -0.20 0.00 -0.71 0.00 0.00 54.79 53.41 1pke n ASP 14 Cb 0.60 -0.06 -0.16 0.00 -1.35 0.00 0.00 41.12 40.15 1pke n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pke s VAL 15 N -2.13 0.61 -0.03 2.12 1.01 -1.26 -0.88 120.40 119.84 1pke s VAL 15 Ca 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1pke s VAL 15 Cb 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1pke s VAL 15 CO 0.29 0.22 0.01 0.54 0.00 0.00 0.00 175.10 176.17 1pke s VAL 16 N 0.62 0.10 0.03 2.92 0.11 -1.01 -2.31 120.40 120.87 1pke s VAL 16 Ca -0.09 0.16 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 1pke s VAL 16 Cb -0.12 -0.23 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1pke s VAL 16 CO 0.01 0.14 0.53 -0.76 -3.33 0.00 0.00 175.10 171.69 1pke s LEU 17 N 1.21 4.48 -0.23 2.54 1.02 -0.50 -2.24 118.68 124.96 1pke s LEU 17 Ca -0.07 1.15 -0.03 0.00 0.02 0.00 0.00 54.13 55.21 1pke s LEU 17 Cb -0.13 -2.82 0.07 0.00 0.02 0.00 0.00 46.19 43.33 1pke s LEU 17 CO -0.02 0.24 0.06 -0.04 0.02 0.00 0.00 176.35 176.61 1pke s MET 18 N -0.82 0.60 0.47 1.70 -1.94 -0.37 -1.78 119.30 117.15 1pke s MET 18 Ca 0.28 -0.58 -0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1pke s MET 18 Cb -0.18 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.68 1pke s MET 18 CO 0.17 -0.77 0.72 -1.25 -0.01 0.00 0.00 175.02 173.88 1pke s PRO 19 N 1.84 3.20 0.20 2.03 0.04 -1.25 -2.48 135.00 138.58 1pke s PRO 19 Ca 0.03 -0.23 0.06 0.00 0.04 0.00 0.00 61.00 60.89 1pke s PRO 19 Cb -0.17 -2.48 0.10 0.00 0.04 0.00 0.00 34.50 31.98 1pke s PRO 19 CO -0.16 -0.27 1.45 0.78 0.04 0.00 0.00 177.00 178.84 1pke h GLY 20 N 0.31 0.13 -5.86 0.56 0.00 -1.86 -1.96 103.07 94.40 1pke h GLY 20 Ca -0.47 -0.21 -0.59 0.00 0.00 0.00 0.00 47.33 46.06 1pke h GLY 20 CO 0.59 0.19 -0.03 -0.35 0.00 0.00 0.00 176.54 176.94 1pke s ASP 21 N -6.87 6.66 0.37 0.19 2.15 -1.26 -1.95 116.67 115.96 1pke s ASP 21 Ca -0.02 0.79 0.07 0.00 0.43 0.00 0.00 52.55 53.81 1pke s ASP 21 Cb 0.11 -2.31 0.73 0.00 -0.30 0.00 0.00 42.92 41.15 1pke s ASP 21 CO 0.80 -0.13 1.93 -0.65 -0.17 0.00 0.00 175.17 176.95 1pke h PRO 22 N 7.18 0.42 0.00 4.34 0.11 -1.90 -2.58 132.00 139.57 1pke h PRO 22 Ca -0.36 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1pke h PRO 22 Cb 1.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1pke h PRO 22 CO 0.75 0.44 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.60 1pke h LEU 23 N 0.41 0.00 -0.20 2.35 3.38 -1.93 -2.29 115.31 117.03 1pke h LEU 23 Ca 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1pke h LEU 23 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1pke h LEU 23 CO 0.01 0.31 -0.92 -0.09 0.09 0.00 0.00 178.44 177.84 1pke h ARG 24 N 0.00 0.08 0.10 1.13 2.43 -1.71 -2.23 114.38 114.18 1pke h ARG 24 Ca -0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1pke h ARG 24 Cb 0.75 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1pke h ARG 24 CO 0.04 0.94 -0.05 0.00 -1.51 0.00 0.00 179.97 179.39 1pke h ALA 25 N 1.02 -0.14 -0.59 2.80 0.00 -1.33 0.78 119.26 121.79 1pke h ALA 25 Ca -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1pke h ALA 25 Cb 1.60 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 1pke h ALA 25 CO 0.13 -0.44 0.12 -0.22 0.00 0.00 0.00 179.25 178.84 1pke h LYS 26 N -0.42 0.24 -0.81 0.00 3.64 -1.44 0.40 116.57 118.19 1pke h LYS 26 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1pke h LYS 26 Cb 0.35 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1pke h LYS 26 CO 0.02 0.16 0.46 -0.92 -2.27 0.00 0.00 179.45 176.90 1pke h TYR 27 N 0.25 1.09 -0.26 1.91 5.03 -1.18 -1.55 116.97 122.25 1pke h TYR 27 Ca 0.31 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.54 1pke h TYR 27 Cb 0.46 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1pke h TYR 27 CO -0.25 0.75 -0.12 0.82 -1.32 0.00 0.00 178.16 178.03 1pke h ILE 28 N 1.12 1.22 -0.36 1.81 2.04 0.88 -0.72 117.51 123.50 1pke h ILE 28 Ca 0.29 -0.97 -0.17 0.00 1.00 0.00 0.00 64.86 65.01 1pke h ILE 28 Cb -0.00 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1pke h ILE 28 CO -0.05 0.31 -0.42 0.00 0.00 0.00 0.00 178.15 177.99 1pke h ALA 29 N 1.47 0.54 -0.06 1.87 0.00 -0.51 -1.09 119.26 121.48 1pke h ALA 29 Ca 0.08 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1pke h ALA 29 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pke h ALA 29 CO 0.03 0.67 -0.69 0.93 0.00 0.00 0.00 179.25 180.18 1pke h GLU 30 N 0.73 0.28 0.07 0.00 5.08 -1.02 -2.95 114.58 116.76 1pke h GLU 30 Ca 0.05 -0.22 -0.32 0.00 -1.00 0.00 0.00 59.36 57.86 1pke h GLU 30 Cb 1.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1pke h GLU 30 CO 0.10 0.87 -1.81 1.15 -1.00 0.00 0.00 179.01 178.32 1pke h THR 31 N 0.20 0.78 0.00 1.13 2.02 -1.14 -3.43 112.91 112.48 1pke h THR 31 Ca -0.02 -2.56 -0.01 0.00 0.77 0.00 0.00 66.41 64.59 1pke h THR 31 Cb 1.24 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1pke h THR 31 CO 0.11 0.70 -1.36 0.49 0.37 0.00 0.00 175.52 175.83 1pke n PHE 32 N -3.28 0.00 -3.91 3.16 3.01 -0.41 -5.05 117.46 110.98 1pke n PHE 32 Ca -0.23 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.92 1pke n PHE 32 Cb 1.05 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 40.29 1pke n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pke s LEU 33 N -3.63 4.35 -0.03 4.37 1.02 -1.11 -4.72 118.68 118.93 1pke s LEU 33 Ca -0.03 0.27 -0.01 0.00 0.02 0.00 0.00 54.13 54.39 1pke s LEU 33 Cb 0.05 -2.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 1pke s LEU 33 CO 0.31 0.15 0.05 -1.61 0.02 0.00 0.00 176.35 175.27 1pke s GLU 34 N -2.60 3.01 -1.49 1.70 2.02 0.43 -4.48 118.70 117.29 1pke s GLU 34 Ca 0.35 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 1pke s GLU 34 Cb -0.13 -2.83 0.05 0.00 0.10 0.00 0.00 34.13 31.33 1pke s GLU 34 CO 0.28 0.66 0.60 -0.25 0.02 0.00 0.00 175.26 176.57 1pke n ASP 35 N 1.47 -1.69 -4.75 -0.19 9.92 -1.26 -2.12 116.55 117.93 1pke n ASP 35 Ca -0.15 -0.97 -0.41 0.00 -0.53 0.00 0.00 54.79 52.74 1pke n ASP 35 Cb 0.53 -3.16 -0.04 0.00 -0.64 0.00 0.00 41.12 37.81 1pke n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pke s ALA 36 N -3.69 3.40 0.01 2.24 0.00 -1.26 -4.64 121.76 117.82 1pke s ALA 36 Ca 0.27 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1pke s ALA 36 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1pke s ALA 36 CO 0.89 -0.19 -0.04 -0.98 0.00 0.00 0.00 175.76 175.44 1pke s ARG 37 N -0.92 0.30 0.11 0.00 1.70 -0.65 -4.97 118.95 114.52 1pke s ARG 37 Ca 0.47 -0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 55.09 1pke s ARG 37 Cb -0.31 -0.16 -0.07 0.00 -0.57 0.00 0.00 34.95 33.84 1pke s ARG 37 CO 0.38 0.03 1.26 -2.00 -1.08 0.00 0.00 175.30 173.90 1pke s GLU 38 N -0.65 4.41 -0.00 3.89 2.12 -1.26 -1.77 118.70 125.44 1pke s GLU 38 Ca -0.05 1.90 0.04 0.00 0.36 0.00 0.00 54.97 57.22 1pke s GLU 38 Cb -0.05 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1pke s GLU 38 CO -0.00 -0.28 0.16 1.33 -0.54 0.00 0.00 175.26 175.92 1pke n VAL 39 N 3.61 0.00 -3.60 3.70 0.24 0.34 -4.96 118.33 117.66 1pke n VAL 39 Ca 0.09 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1pke n VAL 39 Cb 0.45 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 1pke n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pke s ASN 40 N -1.44 -0.57 0.00 -1.34 2.47 -1.20 -4.43 114.94 108.43 1pke s ASN 40 Ca 0.01 0.75 0.00 0.00 0.42 0.00 0.00 52.86 54.04 1pke s ASN 40 Cb 0.03 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 1pke s ASN 40 CO 0.16 -0.48 0.24 -0.46 -3.72 0.00 0.00 177.10 172.84 1pke n ASN 41 N 1.45 0.00 -4.75 -4.21 0.23 -1.26 -2.07 115.26 104.65 1pke n ASN 41 Ca -0.18 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.46 1pke n ASN 41 Cb 0.56 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.25 1pke n ASN 41 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pke s VAL 42 N 0.00 2.22 -0.82 3.53 1.01 -1.26 -1.61 120.40 123.47 1pke s VAL 42 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1pke s VAL 42 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1pke s VAL 42 CO 0.00 0.03 0.00 0.54 0.00 0.00 0.00 175.10 175.67 1pke n ARG 43 N 2.01 -1.74 -0.85 2.72 1.74 -1.26 -1.55 116.66 117.72 1pke n ARG 43 Ca 0.07 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1pke n ARG 43 Cb 0.38 -4.96 0.00 0.00 -1.02 0.00 0.00 32.46 26.86 1pke n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pke n GLY 44 N 0.35 0.81 3.40 -0.13 0.00 -0.63 -4.96 105.19 104.02 1pke n GLY 44 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1pke n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pke n MET 45 N -2.27 3.18 -1.64 1.61 0.00 -0.59 -4.88 117.12 112.52 1pke n MET 45 Ca 0.00 -3.26 -0.48 0.00 0.00 0.00 0.00 57.70 53.96 1pke n MET 45 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 33.22 29.80 1pke n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pke n LEU 46 N 7.45 2.59 -4.12 -0.89 4.77 -1.26 -4.35 117.00 121.19 1pke n LEU 46 Ca 0.47 1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 57.34 1pke n LEU 46 Cb 0.44 -1.35 -0.15 0.00 -2.33 0.00 0.00 43.42 40.03 1pke n LEU 46 CO 0.77 -0.60 -0.48 -0.83 -1.33 0.00 0.00 177.39 174.93 1pke s GLY 47 N 0.64 0.73 0.06 -0.72 0.00 -0.88 -2.98 107.32 104.17 1pke s GLY 47 Ca 0.78 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1pke s GLY 47 CO 0.43 -0.57 -0.06 -1.36 0.00 0.00 0.00 173.10 171.53 1pke s PHE 48 N -0.43 0.69 -0.02 1.90 0.08 -0.22 -0.51 117.98 119.48 1pke s PHE 48 Ca 0.05 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.43 1pke s PHE 48 Cb -0.06 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 41.98 1pke s PHE 48 CO -0.00 -0.14 -0.04 0.99 -0.10 0.00 0.00 175.22 175.92 1pke s THR 49 N -2.34 0.41 0.00 0.64 2.01 -0.73 -0.91 115.64 114.72 1pke s THR 49 Ca -0.02 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1pke s THR 49 Cb -0.03 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1pke s THR 49 CO -0.02 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1pke n GLY 50 N 3.32 3.06 3.01 4.40 0.00 0.57 -1.63 105.19 117.92 1pke n GLY 50 Ca -0.17 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1pke n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pke s THR 51 N -0.85 0.47 -0.26 2.61 2.01 -0.90 -0.47 115.64 118.25 1pke s THR 51 Ca 0.00 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1pke s THR 51 Cb 0.00 -0.48 0.08 0.00 0.01 0.00 0.00 72.50 72.11 1pke s THR 51 CO 0.00 -0.17 0.03 -0.47 -0.69 0.00 0.00 174.62 173.32 1pke s TYR 52 N -0.84 1.81 -1.35 4.92 6.14 0.45 -0.43 117.35 128.05 1pke s TYR 52 Ca -0.05 -1.55 -0.06 0.00 0.64 0.00 0.00 57.07 56.05 1pke s TYR 52 Cb -0.07 -1.54 0.02 0.00 0.42 0.00 0.00 41.96 40.80 1pke s TYR 52 CO 0.00 -0.77 1.00 1.63 0.64 0.00 0.00 175.55 178.05 1pke n LYS 53 N 4.83 -6.50 -0.71 4.97 5.02 -1.26 -1.60 118.16 122.91 1pke n LYS 53 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1pke n LYS 53 Cb 0.44 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 1pke n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pke n GLY 54 N -1.64 1.54 3.65 0.72 0.00 -1.26 -5.01 105.19 103.19 1pke n GLY 54 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1pke n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pke s ARG 55 N -0.01 4.07 0.04 1.61 3.00 -0.63 -5.05 118.95 121.97 1pke s ARG 55 Ca 0.00 -0.17 -0.30 0.00 -1.00 0.00 0.00 55.73 54.25 1pke s ARG 55 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 34.95 31.32 1pke s ARG 55 CO 0.00 -0.01 1.51 0.21 0.00 0.00 0.00 175.30 177.00 1pke s LYS 56 N 1.27 4.25 0.01 5.12 2.20 -1.26 -0.41 119.74 130.92 1pke s LYS 56 Ca 0.10 2.13 0.01 0.00 -0.36 0.00 0.00 55.97 57.85 1pke s LYS 56 Cb -0.14 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1pke s LYS 56 CO 0.06 -0.64 -0.04 0.42 -0.36 0.00 0.00 175.35 174.79 1pke s ILE 57 N 2.43 0.31 0.24 5.43 -1.09 0.38 -4.77 121.20 124.14 1pke s ILE 57 Ca 0.68 -0.52 0.10 0.00 -2.23 0.00 0.00 60.65 58.68 1pke s ILE 57 Cb -0.35 -0.33 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 1pke s ILE 57 CO 0.29 -0.14 -0.10 -0.44 -1.23 0.00 0.00 174.94 173.32 1pke s SER 58 N -0.71 4.10 -0.18 3.58 0.01 -0.98 -0.31 113.70 119.21 1pke s SER 58 Ca -0.05 -0.76 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 1pke s SER 58 Cb -0.05 -0.61 0.08 0.00 0.21 0.00 0.00 66.02 65.66 1pke s SER 58 CO -0.00 0.05 0.40 0.54 0.41 0.00 0.00 173.24 174.63 1pke s VAL 59 N -2.18 -0.50 -0.08 3.43 0.11 -0.09 -1.41 120.40 119.67 1pke s VAL 59 Ca 0.29 0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.42 1pke s VAL 59 Cb -0.07 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1pke s VAL 59 CO 0.17 0.07 0.24 -0.32 -3.33 0.00 0.00 175.10 171.92 1pke s MET 60 N 2.35 0.30 0.82 1.54 0.00 -0.73 -1.06 119.30 122.52 1pke s MET 60 Ca -0.03 0.29 -0.11 0.00 0.00 0.00 0.00 55.69 55.84 1pke s MET 60 Cb -0.11 0.14 0.08 0.00 0.00 0.00 0.00 34.83 34.94 1pke s MET 60 CO -0.12 -0.04 1.09 0.20 0.00 0.00 0.00 175.02 176.15 1pke s GLY 61 N 0.03 1.64 0.00 2.11 0.00 -1.16 -3.81 107.32 106.13 1pke s GLY 61 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1pke s GLY 61 CO 0.00 0.44 0.31 -2.39 0.00 0.00 0.00 173.10 171.46 1pke n HIS 62 N -3.61 0.00 -0.28 1.90 1.44 -0.74 -4.90 115.22 109.03 1pke n HIS 62 Ca 0.08 -0.04 0.03 0.00 -2.01 0.00 0.00 57.72 55.79 1pke n HIS 62 Cb 0.55 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.64 1pke n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pke n GLY 63 N -0.04 -2.31 3.78 -1.39 0.00 -0.82 -3.21 105.19 101.20 1pke n GLY 63 Ca 0.00 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1pke n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pke s MET 64 N -2.59 4.46 0.00 1.61 1.00 -1.26 -4.54 119.30 117.99 1pke s MET 64 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 55.69 56.71 1pke s MET 64 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 34.83 31.55 1pke s MET 64 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 175.02 175.95 1pke n GLY 65 N 1.82 0.61 0.27 -0.03 0.00 -1.23 -4.49 105.19 102.14 1pke n GLY 65 Ca -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 1pke n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pke h ILE 66 N 0.00 1.01 -0.83 -0.61 2.04 -1.75 -2.17 117.51 115.19 1pke h ILE 66 Ca 0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1pke h ILE 66 Cb 0.00 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1pke h ILE 66 CO 0.00 0.14 0.55 -0.65 0.00 0.00 0.00 178.15 178.18 1pke h PRO 67 N 0.75 1.07 0.14 2.37 0.11 -1.91 0.27 132.00 134.81 1pke h PRO 67 Ca 0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1pke h PRO 67 Cb 0.14 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1pke h PRO 67 CO -0.16 0.71 -0.07 1.03 -0.21 0.00 0.00 178.00 179.30 1pke h SER 68 N 1.10 -0.16 0.91 -2.05 0.87 -1.73 -3.10 113.55 109.40 1pke h SER 68 Ca 0.31 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1pke h SER 68 Cb -0.10 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1pke h SER 68 CO -0.08 0.22 -0.06 0.00 -0.53 0.00 0.00 176.83 176.38 1pke h SER 70 N 0.00 0.86 0.30 0.00 0.02 -0.93 -2.23 113.55 111.57 1pke h SER 70 Ca -0.00 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1pke h SER 70 Cb 0.53 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1pke h SER 70 CO 0.01 1.03 -0.19 0.40 -1.14 0.00 0.00 176.83 176.93 1pke h ILE 71 N 0.68 0.59 -0.41 3.27 2.04 -1.42 -2.56 117.51 119.71 1pke h ILE 71 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1pke h ILE 71 Cb 0.66 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1pke h ILE 71 CO 0.05 0.00 0.08 1.88 0.00 0.00 0.00 178.15 180.16 1pke h TYR 72 N -0.48 0.70 -0.17 1.37 0.05 -1.55 -2.48 116.97 114.42 1pke h TYR 72 Ca -0.03 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.59 1pke h TYR 72 Cb 0.40 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1pke h TYR 72 CO -0.10 0.68 -0.23 1.79 -1.05 0.00 0.00 178.16 179.24 1pke h THR 73 N 0.52 1.24 -0.10 -2.88 1.35 -1.45 -2.44 112.91 109.15 1pke h THR 73 Ca 0.13 -1.11 -0.04 0.00 -0.55 0.00 0.00 66.41 64.84 1pke h THR 73 Cb 0.34 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1pke h THR 73 CO 0.00 0.34 -0.08 0.50 -0.25 0.00 0.00 175.52 176.04 1pke h LYS 74 N 0.27 0.23 -0.77 4.72 3.11 -1.40 -2.68 116.57 120.05 1pke h LYS 74 Ca 0.04 -0.11 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1pke h LYS 74 Cb 0.57 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.76 1pke h LYS 74 CO 0.04 0.63 0.36 0.93 -2.81 0.00 0.00 179.45 178.60 1pke h GLU 75 N -0.17 1.10 -0.58 1.90 5.08 -1.36 -1.43 114.58 119.12 1pke h GLU 75 Ca 0.02 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1pke h GLU 75 Cb 0.58 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1pke h GLU 75 CO 0.02 0.86 0.11 -0.07 -1.00 0.00 0.00 179.01 178.93 1pke h LEU 76 N 1.09 0.91 -0.42 1.33 3.38 -1.48 -1.44 115.31 118.69 1pke h LEU 76 Ca 0.26 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1pke h LEU 76 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1pke h LEU 76 CO -0.03 0.93 -0.38 0.40 0.09 0.00 0.00 178.44 179.45 1pke h ILE 77 N 0.86 1.27 0.00 1.22 2.04 -1.13 -2.25 117.51 119.53 1pke h ILE 77 Ca 0.18 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1pke h ILE 77 Cb 0.39 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1pke h ILE 77 CO 0.01 0.52 -1.09 0.71 0.00 0.00 0.00 178.15 178.30 1pke h THR 78 N 0.75 0.17 0.00 -0.27 1.35 -1.25 -3.37 112.91 110.29 1pke h THR 78 Ca 0.06 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1pke h THR 78 Cb 0.96 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1pke h THR 78 CO 0.09 0.10 0.00 0.47 -0.25 0.00 0.00 175.52 175.93 1pke n ASP 79 N -2.77 0.51 -0.07 5.36 9.92 -0.55 -4.77 116.55 124.19 1pke n ASP 79 Ca -0.03 -0.77 0.02 0.00 -0.53 0.00 0.00 54.79 53.47 1pke n ASP 79 Cb 0.64 0.31 0.02 0.00 -0.64 0.00 0.00 41.12 41.46 1pke n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pke n PHE 80 N -0.31 0.00 -2.37 1.24 3.01 -0.86 -4.47 117.46 113.69 1pke n PHE 80 Ca 0.00 -0.39 -0.21 0.00 1.01 0.00 0.00 57.45 57.86 1pke n PHE 80 Cb 0.03 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 1pke n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pke n GLY 81 N -0.46 -0.41 3.70 1.37 0.00 -1.19 -4.61 105.19 103.59 1pke n GLY 81 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pke n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pke s VAL 82 N -3.03 4.31 -0.22 1.61 1.01 -1.12 -4.66 120.40 118.29 1pke s VAL 82 Ca 0.00 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1pke s VAL 82 Cb 0.00 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.13 1pke s VAL 82 CO 0.00 0.06 -0.05 0.29 0.00 0.00 0.00 175.10 175.40 1pke n LYS 83 N 4.55 0.67 -5.08 2.72 4.76 -0.06 -4.58 118.16 121.14 1pke n LYS 83 Ca 0.09 0.22 -0.28 0.00 -2.87 0.00 0.00 58.31 55.47 1pke n LYS 83 Cb 0.47 -1.58 -0.16 0.00 -1.84 0.00 0.00 35.03 31.92 1pke n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pke s LYS 84 N -2.52 1.81 -0.09 1.97 1.02 -0.85 -1.95 119.74 119.13 1pke s LYS 84 Ca -0.32 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 54.91 1pke s LYS 84 Cb 0.09 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1pke s LYS 84 CO 0.64 0.46 -0.10 0.42 -0.92 0.00 0.00 175.35 175.84 1pke s ILE 85 N -0.47 1.08 -0.25 2.17 1.01 -0.66 -2.41 121.20 121.67 1pke s ILE 85 Ca 0.07 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1pke s ILE 85 Cb -0.09 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.40 1pke s ILE 85 CO -0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 174.94 174.54 1pke s ILE 86 N 1.12 2.13 -0.06 2.92 1.01 -0.95 -1.59 121.20 125.78 1pke s ILE 86 Ca -0.06 -1.54 -0.27 0.00 0.00 0.00 0.00 60.65 58.79 1pke s ILE 86 Cb -0.14 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1pke s ILE 86 CO -0.02 0.04 0.85 -0.60 0.00 0.00 0.00 174.94 175.21 1pke s ARG 87 N 1.13 4.46 -0.57 2.79 3.52 0.56 -1.24 118.95 129.60 1pke s ARG 87 Ca -0.07 1.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.71 1pke s ARG 87 Cb -0.19 -3.48 0.14 0.00 -1.56 0.00 0.00 34.95 29.86 1pke s ARG 87 CO -0.06 -0.08 0.33 0.14 -0.81 0.00 0.00 175.30 174.83 1pke s VAL 88 N 1.21 2.60 0.00 7.11 -7.23 -1.03 0.30 120.40 123.36 1pke s VAL 88 Ca 0.44 -3.59 0.00 0.00 -1.81 0.00 0.00 61.98 57.02 1pke s VAL 88 Cb -0.19 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1pke s VAL 88 CO 0.21 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 1pke n GLY 89 N 2.76 6.55 3.47 2.32 0.00 -0.42 -4.27 105.19 115.60 1pke n GLY 89 Ca 0.10 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 1pke n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pke s SER 90 N 0.63 3.12 0.29 1.61 1.04 -1.26 -1.51 113.70 117.63 1pke s SER 90 Ca 0.00 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 1pke s SER 90 Cb 0.00 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1pke s SER 90 CO 0.00 -0.27 0.56 0.00 0.98 0.00 0.00 173.24 174.51 1pke s GLY 92 N -3.06 1.69 0.12 0.00 0.00 -0.43 -1.05 107.32 104.60 1pke s GLY 92 Ca 0.21 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 1pke s GLY 92 CO 0.11 -0.55 0.41 0.00 0.00 0.00 0.00 173.10 173.08 1pke s ALA 93 N -0.56 3.73 -0.01 3.20 0.00 -0.73 -0.43 121.76 126.96 1pke s ALA 93 Ca 0.08 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1pke s ALA 93 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1pke s ALA 93 CO 0.02 0.60 0.02 1.33 0.00 0.00 0.00 175.76 177.73 1pke n VAL 94 N 0.44 0.09 -2.69 0.00 0.24 -1.26 -1.37 118.33 113.78 1pke n VAL 94 Ca -0.05 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 1pke n VAL 94 Cb 0.52 -0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 1pke n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pke s LEU 95 N -3.85 3.93 0.18 1.34 1.43 -1.26 -4.85 118.68 115.60 1pke s LEU 95 Ca -0.01 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1pke s LEU 95 Cb 0.01 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1pke s LEU 95 CO 0.08 -0.53 1.73 -0.65 0.23 0.00 0.00 176.35 177.21 1pke h PRO 96 N 1.85 0.98 -0.38 1.29 0.11 -2.00 -3.10 132.00 130.75 1pke h PRO 96 Ca -0.49 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.43 1pke h PRO 96 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pke h PRO 96 CO 0.60 0.83 0.00 -2.39 -0.21 0.00 0.00 178.00 176.83 1pke n HIS 97 N -4.40 0.25 -4.23 0.65 1.44 -1.26 -4.78 115.22 102.89 1pke n HIS 97 Ca 0.04 -0.11 -0.34 0.00 -2.01 0.00 0.00 57.72 55.30 1pke n HIS 97 Cb 0.18 -0.06 -0.12 0.00 0.12 0.00 0.00 29.99 30.12 1pke n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pke s VAL 98 N -1.66 4.12 0.28 0.61 1.01 -1.17 -5.10 120.40 118.48 1pke s VAL 98 Ca 0.10 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.91 1pke s VAL 98 Cb 0.06 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1pke s VAL 98 CO 0.05 0.47 -0.16 -1.59 0.00 0.00 0.00 175.10 173.87 1pke s LYS 99 N 0.52 1.62 0.45 2.72 -2.85 -1.26 -4.91 119.74 116.03 1pke s LYS 99 Ca -0.01 -1.76 -0.23 0.00 -1.00 0.00 0.00 55.97 52.96 1pke s LYS 99 Cb -0.14 -1.58 -0.10 0.00 -2.06 0.00 0.00 37.83 33.95 1pke s LYS 99 CO 0.02 0.25 1.01 1.28 0.10 0.00 0.00 175.35 178.01 1pke n LEU 100 N -0.60 2.83 0.00 2.77 4.77 -1.26 -1.99 117.00 123.52 1pke n LEU 100 Ca -0.06 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1pke n LEU 100 Cb 0.61 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1pke n LEU 100 CO 0.38 -1.50 0.00 0.54 -1.33 0.00 0.00 177.39 175.48 1pke n ARG 101 N -0.03 0.00 -2.13 3.23 3.00 -0.21 -4.98 116.66 115.55 1pke n ARG 101 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.56 1pke n ARG 101 Cb 0.40 -2.10 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1pke n ARG 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1pke s ASP 102 N -3.35 6.00 -0.19 0.55 1.11 -0.84 -4.72 116.67 115.23 1pke s ASP 102 Ca 0.00 2.45 -0.07 0.00 0.18 0.00 0.00 52.55 55.12 1pke s ASP 102 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1pke s ASP 102 CO 0.00 -1.04 0.05 -0.69 1.18 0.00 0.00 175.17 174.67 1pke s VAL 103 N -1.45 4.58 0.05 -1.27 1.01 -1.26 -1.51 120.40 120.55 1pke s VAL 103 Ca 0.64 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.61 1pke s VAL 103 Cb -0.33 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1pke s VAL 103 CO 0.40 0.44 -0.26 0.68 0.00 0.00 0.00 175.10 176.36 1pke s VAL 104 N 0.57 2.13 -0.18 2.92 -7.23 -0.31 -1.40 120.40 116.90 1pke s VAL 104 Ca 0.02 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1pke s VAL 104 Cb -0.13 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1pke s VAL 104 CO 0.01 0.33 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.36 1pke s ILE 105 N -0.83 2.56 -0.67 -0.62 1.01 0.74 -1.80 121.20 121.59 1pke s ILE 105 Ca 0.12 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1pke s ILE 105 Cb -0.10 -2.10 0.08 0.00 0.01 0.00 0.00 42.46 40.35 1pke s ILE 105 CO 0.02 0.50 0.94 -0.83 0.00 0.00 0.00 174.94 175.58 1pke s GLY 106 N 1.17 1.45 0.33 6.18 0.00 -0.85 -1.25 107.32 114.34 1pke s GLY 106 Ca 0.02 -1.94 0.15 0.00 0.00 0.00 0.00 44.72 42.95 1pke s GLY 106 CO -0.06 2.01 1.67 1.98 0.00 0.00 0.00 173.10 178.69 1pke h MET 107 N 9.49 0.00 -4.10 2.90 4.05 -1.54 -3.41 114.93 122.31 1pke h MET 107 Ca -0.26 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.01 1pke h MET 107 Cb 1.07 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.75 1pke h MET 107 CO 1.17 0.48 -0.38 0.20 0.23 0.00 0.00 176.91 178.62 1pke s GLY 108 N -4.41 0.91 -0.15 1.39 0.00 -1.18 -1.39 107.32 102.50 1pke s GLY 108 Ca -0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 1pke s GLY 108 CO 0.72 -1.01 0.32 0.00 0.00 0.00 0.00 173.10 173.13 1pke s ALA 109 N -4.07 -0.77 0.68 3.20 0.00 -0.52 -1.81 121.76 118.47 1pke s ALA 109 Ca 0.28 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1pke s ALA 109 Cb 0.03 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1pke s ALA 109 CO 0.08 -0.56 0.97 0.00 0.00 0.00 0.00 175.76 176.25 1pke s THR 111 N -3.14 0.00 -0.73 0.00 -1.32 -1.26 -0.54 115.64 108.65 1pke s THR 111 Ca 0.61 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.22 1pke s THR 111 Cb -0.10 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.29 1pke s THR 111 CO 0.43 0.00 1.33 -0.90 -2.21 0.00 0.00 174.62 173.27 1pke n ASP 112 N 0.04 3.32 -4.90 8.08 3.85 -1.21 -4.97 116.55 120.76 1pke n ASP 112 Ca -0.09 -2.33 -0.28 0.00 -0.71 0.00 0.00 54.79 51.38 1pke n ASP 112 Cb 0.61 -0.35 0.04 0.00 -1.35 0.00 0.00 41.12 40.07 1pke n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pke s SER 113 N -1.27 5.50 0.00 -1.12 0.15 -1.26 -4.91 113.70 110.79 1pke s SER 113 Ca 0.31 0.88 0.14 0.00 0.70 0.00 0.00 55.95 57.97 1pke s SER 113 Cb 0.20 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1pke s SER 113 CO 0.14 -1.20 0.79 0.29 1.20 0.00 0.00 173.24 174.47 1pke n LYS 114 N -2.77 1.74 -0.17 5.44 5.02 -1.26 -4.71 118.16 121.45 1pke n LYS 114 Ca 0.06 -0.80 -0.02 0.00 -2.02 0.00 0.00 58.31 55.52 1pke n LYS 114 Cb 0.57 -1.21 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 1pke n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1pke h VAL 115 N 1.67 0.53 -0.01 -0.18 -1.51 -1.99 -0.71 116.25 114.06 1pke h VAL 115 Ca 0.00 -0.02 -0.12 0.00 -1.23 0.00 0.00 66.70 65.33 1pke h VAL 115 Cb 0.48 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 1pke h VAL 115 CO 0.00 0.01 -0.58 0.78 -1.23 0.00 0.00 177.57 176.55 1pke h ASN 116 N 0.05 0.02 0.49 4.19 -0.26 -1.93 -2.54 115.58 115.61 1pke h ASN 116 Ca 0.26 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 1pke h ASN 116 Cb 0.40 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1pke h ASN 116 CO -0.49 0.60 -0.40 0.03 -1.06 0.00 0.00 177.43 176.12 1pke h ARG 117 N 0.02 0.00 0.00 0.81 3.08 -1.57 0.94 114.38 117.65 1pke h ARG 117 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1pke h ARG 117 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1pke h ARG 117 CO 0.08 0.40 -0.40 0.82 -1.07 0.00 0.00 179.97 179.80 1pke h ILE 118 N 0.00 0.90 0.00 2.04 2.04 -0.76 0.35 117.51 122.08 1pke h ILE 118 Ca -0.00 -1.62 -0.26 0.00 1.00 0.00 0.00 64.86 63.98 1pke h ILE 118 Cb 0.75 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 1pke h ILE 118 CO 0.05 0.39 -1.58 0.03 0.00 0.00 0.00 178.15 177.04 1pke h ARG 119 N 0.00 0.00 -0.89 2.37 3.08 -1.06 -3.40 114.38 114.48 1pke h ARG 119 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1pke h ARG 119 Cb 0.96 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.68 1pke h ARG 119 CO 0.05 0.49 0.26 0.34 -1.07 0.00 0.00 179.97 180.04 1pke n PHE 120 N -3.04 2.98 -2.79 3.04 7.35 0.26 -4.92 117.46 120.33 1pke n PHE 120 Ca -0.14 -2.67 -0.17 0.00 -0.76 0.00 0.00 57.45 53.72 1pke n PHE 120 Cb 1.00 -1.03 -0.00 0.00 0.35 0.00 0.00 39.48 39.80 1pke n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pke n LYS 121 N -0.87 -2.86 -1.30 -4.13 4.76 -1.20 -1.18 118.16 111.38 1pke n LYS 121 Ca 0.55 0.59 -0.10 0.00 -2.87 0.00 0.00 58.31 56.48 1pke n LYS 121 Cb 0.81 -5.25 -0.04 0.00 -1.84 0.00 0.00 35.03 28.71 1pke n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pke n ASP 122 N -2.03 -4.24 -2.29 4.39 2.03 0.12 -5.03 116.55 109.50 1pke n ASP 122 Ca -0.10 0.26 -0.02 0.00 0.52 0.00 0.00 54.79 55.44 1pke n ASP 122 Cb 0.59 -2.65 0.01 0.00 -0.72 0.00 0.00 41.12 38.35 1pke n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pke n HIS 123 N -2.70 -2.85 -3.27 -0.67 8.25 -0.33 -5.01 115.22 108.64 1pke n HIS 123 Ca -0.10 -0.21 -0.44 0.00 -0.26 0.00 0.00 57.72 56.71 1pke n HIS 123 Cb 0.34 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 1pke n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pke s ASP 124 N -1.36 6.20 -0.23 0.41 1.01 -1.26 -4.61 116.67 116.83 1pke s ASP 124 Ca 0.06 -0.89 -0.16 0.00 0.71 0.00 0.00 52.55 52.27 1pke s ASP 124 Cb -0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1pke s ASP 124 CO 0.04 -0.71 0.41 0.12 0.21 0.00 0.00 175.17 175.25 1pke s PHE 125 N 2.22 3.33 -0.62 4.23 5.36 -1.26 -5.02 117.98 126.22 1pke s PHE 125 Ca 0.12 0.58 -0.28 0.00 -0.96 0.00 0.00 56.93 56.38 1pke s PHE 125 Cb -0.19 -2.57 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1pke s PHE 125 CO 0.12 -0.10 1.21 0.00 -1.46 0.00 0.00 175.22 174.99 1pke s ALA 126 N 1.64 2.94 -0.71 11.12 0.00 -1.26 -4.95 121.76 130.54 1pke s ALA 126 Ca 0.19 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 1pke s ALA 126 Cb -0.15 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 18.91 1pke s ALA 126 CO 0.09 -2.81 1.32 0.00 0.00 0.00 0.00 175.76 174.36 1pke s ALA 127 N 5.14 2.73 0.32 0.00 0.00 -1.26 -4.99 121.76 123.69 1pke s ALA 127 Ca 0.41 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 51.23 1pke s ALA 127 Cb -0.08 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.75 1pke s ALA 127 CO 0.23 -3.27 -0.09 0.96 0.00 0.00 0.00 175.76 173.59 1pke s ILE 128 N 5.94 2.51 0.60 0.00 -4.36 -1.26 -1.44 121.20 123.20 1pke s ILE 128 Ca 0.39 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1pke s ILE 128 Cb -0.08 -2.60 0.08 0.00 1.25 0.00 0.00 42.46 41.10 1pke s ILE 128 CO 0.17 -0.27 0.83 0.00 0.24 0.00 0.00 174.94 175.91 1pke s ALA 129 N -2.53 4.11 -0.12 2.27 0.00 -0.48 -4.90 121.76 120.11 1pke s ALA 129 Ca 0.32 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 1pke s ALA 129 Cb -0.01 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1pke s ALA 129 CO 0.17 -0.97 1.28 0.34 0.00 0.00 0.00 175.76 176.57 1pke s ASP 130 N -4.59 6.95 0.20 0.00 -1.08 -1.04 -4.94 116.67 112.17 1pke s ASP 130 Ca 0.61 1.78 -0.12 0.00 -0.52 0.00 0.00 52.55 54.30 1pke s ASP 130 Cb -0.07 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.08 1pke s ASP 130 CO 0.40 -0.72 1.66 0.15 0.52 0.00 0.00 175.17 177.18 1pke h PHE 131 N 8.06 -0.10 -0.61 -5.34 3.57 -1.96 -1.49 116.94 119.07 1pke h PHE 131 Ca -0.30 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.27 1pke h PHE 131 Cb 1.13 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 1pke h PHE 131 CO 0.78 -0.17 0.37 -0.44 -2.23 0.00 0.00 178.31 176.62 1pke h ASP 132 N 0.09 0.60 -0.76 0.41 3.45 -1.99 -1.03 116.42 117.19 1pke h ASP 132 Ca 0.29 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.70 1pke h ASP 132 Cb 0.46 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 1pke h ASP 132 CO -0.51 0.42 0.27 0.24 -1.57 0.00 0.00 179.24 178.09 1pke h MET 133 N 0.72 1.15 -0.38 3.56 2.86 -1.78 0.21 114.93 121.27 1pke h MET 133 Ca 0.25 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1pke h MET 133 Cb 0.03 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1pke h MET 133 CO -0.11 0.96 0.21 0.28 1.06 0.00 0.00 176.91 179.31 1pke h VAL 134 N 1.11 1.15 -0.60 -2.22 2.07 -0.88 -1.71 116.25 115.16 1pke h VAL 134 Ca 0.25 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1pke h VAL 134 Cb 0.26 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1pke h VAL 134 CO -0.01 0.15 0.15 -0.09 0.02 0.00 0.00 177.57 177.79 1pke h ARG 135 N 0.48 0.96 -0.80 1.57 2.43 -0.85 -1.79 114.38 116.37 1pke h ARG 135 Ca 0.13 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1pke h ARG 135 Cb 0.06 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1pke h ARG 135 CO -0.02 0.88 0.52 -0.91 -1.51 0.00 0.00 179.97 178.93 1pke h ASN 136 N 0.87 0.94 -0.55 -3.80 2.35 -0.34 -1.32 115.58 113.73 1pke h ASN 136 Ca 0.19 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1pke h ASN 136 Cb 0.34 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1pke h ASN 136 CO 0.00 0.69 -0.03 0.00 -1.65 0.00 0.00 177.43 176.44 1pke h ALA 137 N 1.29 0.86 -0.54 -0.83 0.00 -1.06 -1.15 119.26 117.82 1pke h ALA 137 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pke h ALA 137 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1pke h ALA 137 CO -0.06 0.66 0.15 0.28 0.00 0.00 0.00 179.25 180.27 1pke h VAL 138 N 0.92 1.24 -0.26 0.00 2.07 -0.98 -1.53 116.25 117.72 1pke h VAL 138 Ca 0.16 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 1pke h VAL 138 Cb 0.58 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1pke h VAL 138 CO 0.03 0.31 -0.25 0.44 0.02 0.00 0.00 177.57 178.12 1pke h ASP 139 N 0.75 0.49 -0.38 0.57 3.45 -1.08 -2.44 116.42 117.79 1pke h ASP 139 Ca 0.17 -0.17 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1pke h ASP 139 Cb 0.31 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1pke h ASP 139 CO -0.00 0.74 -0.28 0.00 -1.57 0.00 0.00 179.24 178.13 1pke h ALA 140 N 1.30 0.55 -0.71 3.45 0.00 -1.00 -2.06 119.26 120.78 1pke h ALA 140 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1pke h ALA 140 Cb 0.67 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1pke h ALA 140 CO 0.05 0.57 0.35 0.00 0.00 0.00 0.00 179.25 180.23 1pke h ALA 141 N 0.78 0.92 -0.60 0.00 0.00 -1.13 -0.89 119.26 118.34 1pke h ALA 141 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1pke h ALA 141 Cb 0.86 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pke h ALA 141 CO 0.07 0.47 0.14 -0.22 0.00 0.00 0.00 179.25 179.71 1pke h LYS 142 N 0.99 0.96 -0.14 0.00 3.64 -1.35 0.12 116.57 120.80 1pke h LYS 142 Ca 0.25 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1pke h LYS 142 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1pke h LYS 142 CO -0.03 0.89 -0.23 0.00 -2.27 0.00 0.00 179.45 177.80 1pke h ALA 143 N 1.03 1.34 0.00 5.00 0.00 -1.04 -2.37 119.26 123.22 1pke h ALA 143 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pke h ALA 143 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pke h ALA 143 CO 0.00 0.45 -0.36 -0.07 0.00 0.00 0.00 179.25 179.28 1pke h LEU 144 N 0.23 0.00 -0.72 0.00 3.38 -0.79 -3.48 115.31 113.93 1pke h LEU 144 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pke h LEU 144 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1pke h LEU 144 CO 0.04 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1pke n GLY 145 N 1.18 0.87 3.36 0.83 0.00 0.20 -5.07 105.19 106.56 1pke n GLY 145 Ca 0.03 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1pke n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pke s ILE 146 N -2.72 2.39 0.38 -0.61 1.01 0.10 -5.02 121.20 116.72 1pke s ILE 146 Ca 0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 1pke s ILE 146 Cb 0.00 -1.87 -0.10 0.00 0.01 0.00 0.00 42.46 40.50 1pke s ILE 146 CO 0.00 0.58 0.97 -1.81 0.00 0.00 0.00 174.94 174.69 1pke s ASP 147 N -0.62 7.05 -0.25 3.58 -0.00 -1.26 -4.31 116.67 120.86 1pke s ASP 147 Ca 0.10 1.84 -0.11 0.00 -0.00 0.00 0.00 52.55 54.37 1pke s ASP 147 Cb -0.10 -2.57 0.09 0.00 -0.00 0.00 0.00 42.92 40.34 1pke s ASP 147 CO -0.00 -0.28 0.57 0.00 -0.00 0.00 0.00 175.17 175.46 1pke s ALA 148 N -1.81 -1.62 -0.07 5.23 0.00 -1.26 -4.31 121.76 117.92 1pke s ALA 148 Ca 0.56 2.05 -0.18 0.00 0.00 0.00 0.00 51.96 54.40 1pke s ALA 148 Cb -0.16 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1pke s ALA 148 CO 0.21 -0.57 0.48 1.03 0.00 0.00 0.00 175.76 176.91 1pke s ARG 149 N 2.11 4.25 -0.19 0.00 0.52 -0.50 -4.92 118.95 120.22 1pke s ARG 149 Ca -0.07 0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 55.55 1pke s ARG 149 Cb -0.09 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1pke s ARG 149 CO -0.17 0.31 0.07 0.08 0.02 0.00 0.00 175.30 175.61 1pke s VAL 150 N 0.10 4.82 -0.36 3.52 1.01 -1.26 -0.19 120.40 128.05 1pke s VAL 150 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1pke s VAL 150 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1pke s VAL 150 CO 0.12 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1pke n GLY 151 N 3.58 -0.71 3.84 4.51 0.00 -0.38 -4.95 105.19 111.08 1pke n GLY 151 Ca -0.16 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1pke n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pke s ASN 152 N -4.00 6.82 0.39 1.61 0.01 -1.26 -1.32 114.94 117.19 1pke s ASN 152 Ca 0.00 1.00 0.08 0.00 -0.71 0.00 0.00 52.86 53.23 1pke s ASN 152 Cb 0.00 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 1pke s ASN 152 CO 0.00 0.24 0.17 -0.76 -1.51 0.00 0.00 177.10 175.24 1pke s LEU 153 N -1.44 3.17 -0.09 0.60 1.43 -0.75 -1.37 118.68 120.23 1pke s LEU 153 Ca 0.29 -0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1pke s LEU 153 Cb -0.16 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1pke s LEU 153 CO 0.16 -0.46 -0.06 0.12 0.23 0.00 0.00 176.35 176.35 1pke s PHE 154 N -2.53 1.24 -0.45 0.29 5.36 -0.30 -0.51 117.98 121.08 1pke s PHE 154 Ca 0.40 -0.54 -0.17 0.00 -0.96 0.00 0.00 56.93 55.66 1pke s PHE 154 Cb 0.01 -1.07 0.04 0.00 -0.34 0.00 0.00 43.02 41.66 1pke s PHE 154 CO 0.23 -0.41 0.45 -1.12 -1.46 0.00 0.00 175.22 172.91 1pke s SER 155 N 1.55 6.18 0.14 6.13 0.01 0.30 -1.23 113.70 126.77 1pke s SER 155 Ca 0.01 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 1pke s SER 155 Cb -0.13 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1pke s SER 155 CO -0.05 -0.65 0.55 0.00 0.41 0.00 0.00 173.24 173.50 1pke s ALA 156 N 2.08 3.58 -0.08 1.44 0.00 0.20 -3.29 121.76 125.69 1pke s ALA 156 Ca 0.10 -0.13 0.14 0.00 0.00 0.00 0.00 51.96 52.07 1pke s ALA 156 Cb -0.19 -2.52 -0.23 0.00 0.00 0.00 0.00 23.12 20.17 1pke s ALA 156 CO 0.11 0.45 0.53 -0.25 0.00 0.00 0.00 175.76 176.61 1pke n ASP 157 N 0.82 0.70 -4.12 0.00 9.92 -1.26 -4.54 116.55 118.07 1pke n ASP 157 Ca -0.05 0.32 -0.35 0.00 -0.53 0.00 0.00 54.79 54.18 1pke n ASP 157 Cb 0.52 0.15 -0.13 0.00 -0.64 0.00 0.00 41.12 41.02 1pke n ASP 157 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1pke s LEU 158 N -5.97 4.50 0.25 0.64 1.43 -1.26 -4.95 118.68 113.32 1pke s LEU 158 Ca -0.06 -1.69 -0.05 0.00 -1.03 0.00 0.00 54.13 51.30 1pke s LEU 158 Cb 0.08 -1.73 0.35 0.00 0.03 0.00 0.00 46.19 44.91 1pke s LEU 158 CO 0.82 -0.38 1.86 0.15 0.23 0.00 0.00 176.35 179.03 1pke h PHE 159 N 7.94 1.03 -3.72 0.29 3.04 -1.98 -3.08 116.94 120.46 1pke h PHE 159 Ca -0.15 0.03 -0.78 0.00 3.98 0.00 0.00 57.97 61.05 1pke h PHE 159 Cb 1.05 -0.34 -0.28 0.00 2.56 0.00 0.00 35.95 38.95 1pke h PHE 159 CO 0.57 0.53 0.13 0.71 -2.02 0.00 0.00 178.31 178.23 1pke s TYR 160 N -6.06 3.86 0.23 0.41 2.02 -1.26 -5.05 117.35 111.50 1pke s TYR 160 Ca -0.13 -2.27 -0.30 0.00 -0.37 0.00 0.00 57.07 54.01 1pke s TYR 160 Cb 0.19 -3.74 -0.09 0.00 -0.40 0.00 0.00 41.96 37.92 1pke s TYR 160 CO 0.80 -0.96 1.06 0.45 -1.57 0.00 0.00 175.55 175.33 1pke s SER 161 N 1.72 7.35 0.12 2.29 0.15 -1.17 -4.95 113.70 119.22 1pke s SER 161 Ca 0.21 2.12 0.26 0.00 0.70 0.00 0.00 55.95 59.24 1pke s SER 161 Cb -0.11 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.55 1pke s SER 161 CO -0.08 -0.11 1.79 -0.81 1.20 0.00 0.00 173.24 175.23 1pke n PRO 162 N 1.77 0.13 -3.98 5.44 -0.04 -1.26 -4.52 135.00 132.54 1pke n PRO 162 Ca 0.00 0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 1pke n PRO 162 Cb 0.46 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1pke n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pke s ASP 163 N -3.78 4.83 0.40 3.54 3.68 -1.26 -4.95 116.67 119.13 1pke s ASP 163 Ca 0.11 -2.05 0.23 0.00 2.13 0.00 0.00 52.55 52.96 1pke s ASP 163 Cb 0.14 -1.66 0.32 0.00 -1.45 0.00 0.00 42.92 40.27 1pke s ASP 163 CO 0.51 -0.39 1.55 1.23 0.13 0.00 0.00 175.17 178.20 1pke h GLY 164 N 7.71 0.00 2.00 2.66 0.00 -2.03 -3.24 103.07 110.17 1pke h GLY 164 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1pke h GLY 164 CO 0.55 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.95 1pke h GLU 165 N 0.00 0.00 0.00 4.80 4.22 -1.98 -1.79 114.58 119.83 1pke h GLU 165 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pke h GLU 165 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1pke h GLU 165 CO 0.00 0.05 0.00 1.98 -2.18 0.00 0.00 179.01 178.86 1pke h MET 166 N 0.00 0.00 0.00 1.92 4.05 -2.00 -1.09 114.93 117.81 1pke h MET 166 Ca -0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1pke h MET 166 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1pke h MET 166 CO 0.01 0.00 -0.33 0.74 0.23 0.00 0.00 176.91 177.56 1pke h PHE 167 N 0.00 0.00 -0.42 1.39 0.05 -1.56 -1.59 116.94 114.80 1pke h PHE 167 Ca 0.00 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.66 1pke h PHE 167 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1pke h PHE 167 CO 0.00 0.33 -0.26 -0.44 -0.18 0.00 0.00 178.31 177.76 1pke h ASP 168 N 0.00 0.96 -0.35 2.17 3.45 -1.36 -1.28 116.42 120.01 1pke h ASP 168 Ca -0.00 -0.42 -0.09 0.00 0.43 0.00 0.00 57.03 56.95 1pke h ASP 168 Cb 0.71 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1pke h ASP 168 CO 0.04 1.18 -0.13 0.58 -1.57 0.00 0.00 179.24 179.34 1pke h VAL 169 N 0.76 1.28 -0.10 -1.35 2.07 -1.52 -0.86 116.25 116.53 1pke h VAL 169 Ca 0.09 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1pke h VAL 169 Cb 0.84 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1pke h VAL 169 CO 0.07 0.40 -0.00 0.24 0.02 0.00 0.00 177.57 178.30 1pke h MET 170 N 0.49 0.03 -0.45 1.57 2.86 -1.19 -1.73 114.93 116.51 1pke h MET 170 Ca 0.08 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1pke h MET 170 Cb 0.65 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1pke h MET 170 CO 0.04 0.02 0.27 1.49 1.06 0.00 0.00 176.91 179.80 1pke h GLU 171 N 0.03 0.61 -0.30 1.72 4.81 -1.17 -2.12 114.58 118.16 1pke h GLU 171 Ca 0.05 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1pke h GLU 171 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1pke h GLU 171 CO -0.08 0.44 0.21 -0.22 -0.73 0.00 0.00 179.01 178.63 1pke h LYS 172 N 0.59 0.15 -0.65 1.92 3.64 -0.79 -1.89 116.57 119.54 1pke h LYS 172 Ca 0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1pke h LYS 172 Cb -0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1pke h LYS 172 CO -0.03 0.10 0.06 0.66 -2.27 0.00 0.00 179.45 177.96 1pke n TYR 173 N -4.48 2.04 -2.30 1.91 4.01 -0.68 -4.96 117.16 112.70 1pke n TYR 173 Ca 0.03 -0.77 -0.17 0.00 -0.16 0.00 0.00 57.90 56.83 1pke n TYR 173 Cb 0.27 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 1pke n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pke n GLY 174 N 0.44 -0.28 3.69 2.72 0.00 -0.71 -4.96 105.19 106.09 1pke n GLY 174 Ca 0.29 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1pke n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pke s ILE 175 N -2.85 3.29 0.02 -0.61 1.09 -0.89 -4.58 121.20 116.67 1pke s ILE 175 Ca 0.00 0.77 0.10 0.00 -1.10 0.00 0.00 60.65 60.42 1pke s ILE 175 Cb 0.00 -3.49 -0.16 0.00 -1.06 0.00 0.00 42.46 37.74 1pke s ILE 175 CO 0.00 0.01 1.14 -0.07 -0.10 0.00 0.00 174.94 175.92 1pke h LEU 176 N 8.13 0.00 -7.04 2.97 3.38 -1.58 -3.41 115.31 117.76 1pke h LEU 176 Ca -0.41 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1pke h LEU 176 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 1pke h LEU 176 CO 0.91 0.89 0.13 -0.83 0.09 0.00 0.00 178.44 179.63 1pke s GLY 177 N -4.76 -0.53 -0.25 0.83 0.00 -1.25 -4.60 107.32 96.76 1pke s GLY 177 Ca 0.00 1.50 -0.07 0.00 0.00 0.00 0.00 44.72 46.15 1pke s GLY 177 CO 0.81 1.18 0.06 0.14 0.00 0.00 0.00 173.10 175.29 1pke s VAL 178 N -0.61 4.15 0.00 1.40 1.01 0.43 -1.15 120.40 125.63 1pke s VAL 178 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1pke s VAL 178 Cb -0.02 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1pke s VAL 178 CO 0.06 0.33 0.00 -1.84 0.00 0.00 0.00 175.10 173.65 1pke n GLU 179 N 4.90 0.47 -1.52 2.72 -0.00 -0.37 -1.31 120.64 125.53 1pke n GLU 179 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.03 1pke n GLU 179 Cb 0.51 0.00 0.05 0.00 -0.00 0.00 0.00 31.44 32.00 1pke n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pke n MET 180 N 0.00 0.40 0.00 3.44 2.81 -1.26 -0.63 117.12 121.88 1pke n MET 180 Ca 0.00 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 1pke n MET 180 Cb 0.00 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 1pke n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pke n GLU 181 N 0.19 0.00 -0.30 0.03 4.71 -1.26 -2.11 120.64 121.90 1pke n GLU 181 Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.15 1pke n GLU 181 Cb 1.06 -0.34 -0.07 0.00 -1.01 0.00 0.00 31.44 31.08 1pke n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pke n ALA 182 N -1.36 -0.45 -0.07 0.62 0.00 -1.26 -0.27 120.51 117.73 1pke n ALA 182 Ca 0.00 0.60 0.16 0.00 0.00 0.00 0.00 53.44 54.20 1pke n ALA 182 Cb 0.00 -0.05 0.57 0.00 0.00 0.00 0.00 19.45 19.97 1pke n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pke h ALA 183 N 0.26 2.21 -0.13 0.00 0.00 -1.83 -0.96 119.26 118.80 1pke h ALA 183 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1pke h ALA 183 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pke h ALA 183 CO -0.66 -0.37 -0.61 0.78 0.00 0.00 0.00 179.25 178.39 1pke h GLY 184 N 0.25 0.71 1.03 0.00 0.00 -1.01 -2.66 103.07 101.40 1pke h GLY 184 Ca 0.28 -1.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1pke h GLY 184 CO -0.06 0.89 0.10 -2.22 0.00 0.00 0.00 176.54 175.25 1pke h ILE 185 N 0.31 1.26 -0.11 2.60 2.04 -0.26 -2.42 117.51 120.92 1pke h ILE 185 Ca -0.04 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1pke h ILE 185 Cb 1.25 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1pke h ILE 185 CO 0.13 0.36 -0.29 1.88 0.00 0.00 0.00 178.15 180.22 1pke h TYR 186 N 0.89 0.23 -0.20 1.37 0.99 -1.28 -0.76 116.97 118.22 1pke h TYR 186 Ca 0.18 -0.05 -0.17 0.00 2.00 0.00 0.00 58.73 60.70 1pke h TYR 186 Cb 0.41 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 38.08 1pke h TYR 186 CO 0.03 0.49 -0.55 0.78 -0.00 0.00 0.00 178.16 178.91 1pke h GLY 187 N 1.02 0.66 0.85 3.88 0.00 -1.23 -2.83 103.07 105.42 1pke h GLY 187 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1pke h GLY 187 CO 0.05 0.70 -0.27 -2.08 0.00 0.00 0.00 176.54 174.93 1pke h VAL 188 N 0.46 1.34 -0.97 4.60 2.07 -1.20 -1.61 116.25 120.94 1pke h VAL 188 Ca 0.01 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.14 1pke h VAL 188 Cb 1.11 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 1pke h VAL 188 CO 0.11 0.45 0.61 0.00 0.02 0.00 0.00 177.57 178.76 1pke h ALA 189 N 0.61 1.40 -0.13 1.67 0.00 -1.15 -0.67 119.26 120.98 1pke h ALA 189 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1pke h ALA 189 Cb 0.84 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pke h ALA 189 CO 0.06 0.30 -0.78 0.00 0.00 0.00 0.00 179.25 178.83 1pke h ALA 190 N 1.48 0.36 -0.15 0.00 0.00 -1.45 0.23 119.26 119.75 1pke h ALA 190 Ca 0.45 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1pke h ALA 190 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pke h ALA 190 CO -0.22 0.70 -0.02 1.49 0.00 0.00 0.00 179.25 181.20 1pke h GLU 191 N 0.49 0.27 -0.57 0.00 4.81 -0.78 -3.27 114.58 115.53 1pke h GLU 191 Ca -0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1pke h GLU 191 Cb 1.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1pke h GLU 191 CO 0.16 0.53 0.00 1.19 -0.73 0.00 0.00 179.01 180.16 1pke n PHE 192 N -4.73 0.76 -2.67 0.92 3.01 -0.30 -5.02 117.46 109.43 1pke n PHE 192 Ca -0.05 -0.38 -0.05 0.00 1.01 0.00 0.00 57.45 57.97 1pke n PHE 192 Cb 0.24 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1pke n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pke n GLY 193 N 1.50 -0.75 3.28 1.37 0.00 -0.43 -4.95 105.19 105.21 1pke n GLY 193 Ca 0.21 0.30 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 1pke n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pke n ALA 194 N -2.15 0.25 -2.51 4.61 0.00 0.69 -5.03 120.51 116.37 1pke n ALA 194 Ca -0.03 -1.80 -0.31 0.00 0.00 0.00 0.00 53.44 51.30 1pke n ALA 194 Cb 0.54 1.46 -0.12 0.00 0.00 0.00 0.00 19.45 21.34 1pke n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pke s LYS 195 N -3.11 2.19 0.06 0.00 1.02 -0.82 -4.47 119.74 114.61 1pke s LYS 195 Ca 0.35 -0.93 -0.07 0.00 0.02 0.00 0.00 55.97 55.33 1pke s LYS 195 Cb 0.01 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1pke s LYS 195 CO 0.25 0.55 0.15 0.00 -0.92 0.00 0.00 175.35 175.38 1pke s ALA 196 N -1.00 -0.15 -0.14 5.17 0.00 -1.26 -1.65 121.76 122.73 1pke s ALA 196 Ca 0.17 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1pke s ALA 196 Cb -0.11 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1pke s ALA 196 CO 0.07 -0.42 0.47 -1.17 0.00 0.00 0.00 175.76 174.72 1pke s LEU 197 N -2.55 0.19 -0.12 0.00 2.96 -0.62 -2.49 118.68 116.06 1pke s LEU 197 Ca 0.01 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 1pke s LEU 197 Cb 0.03 1.69 -0.00 0.00 0.50 0.00 0.00 46.19 48.40 1pke s LEU 197 CO -0.08 -0.27 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.58 1pke s THR 198 N -0.20 2.31 -0.07 3.68 2.01 -1.26 -0.32 115.64 121.78 1pke s THR 198 Ca -0.04 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.08 1pke s THR 198 Cb -0.03 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1pke s THR 198 CO 0.02 0.55 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.66 1pke s ILE 199 N 0.46 1.81 0.05 1.82 1.01 0.15 -2.02 121.20 124.48 1pke s ILE 199 Ca -0.14 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1pke s ILE 199 Cb -0.17 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1pke s ILE 199 CO 0.06 0.51 -0.08 0.00 0.00 0.00 0.00 174.94 175.42 1pke s THR 201 N -1.60 3.64 -0.26 0.00 2.01 -0.57 -1.16 115.64 117.71 1pke s THR 201 Ca -0.07 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 1pke s THR 201 Cb -0.08 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 1pke s THR 201 CO 0.00 0.43 2.17 -0.69 -0.69 0.00 0.00 174.62 175.84 1pke s VAL 202 N 1.14 3.08 -1.71 3.82 1.01 -0.57 -2.07 120.40 125.10 1pke s VAL 202 Ca 0.02 0.08 0.20 0.00 0.00 0.00 0.00 61.98 62.29 1pke s VAL 202 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1pke s VAL 202 CO 0.00 -0.08 0.99 -1.54 0.00 0.00 0.00 175.10 174.47 1pke n SER 203 N 11.85 1.74 -3.65 3.32 3.41 -0.21 -1.04 113.62 129.04 1pke n SER 203 Ca 0.29 -1.37 -0.06 0.00 -0.26 0.00 0.00 58.87 57.47 1pke n SER 203 Cb 0.46 0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1pke n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pke s ASP 204 N -2.40 -0.28 -0.16 4.04 -4.77 -1.20 -2.08 116.67 109.81 1pke s ASP 204 Ca 0.15 -0.26 0.01 0.00 -3.30 0.00 0.00 52.55 49.16 1pke s ASP 204 Cb 0.16 0.49 0.02 0.00 -1.09 0.00 0.00 42.92 42.50 1pke s ASP 204 CO 0.57 -0.87 -0.17 -2.28 0.70 0.00 0.00 175.17 173.12 1pke s HIS 205 N -3.34 2.44 0.43 2.11 2.46 -0.63 -1.77 115.29 116.99 1pke s HIS 205 Ca 0.09 -1.38 0.16 0.00 0.47 0.00 0.00 55.06 54.40 1pke s HIS 205 Cb -0.02 -1.73 1.05 0.00 -0.13 0.00 0.00 32.58 31.75 1pke s HIS 205 CO -0.02 -0.70 1.99 0.82 -2.47 0.00 0.00 174.74 174.35 1pke h ILE 206 N 5.98 1.05 0.00 0.89 2.04 -1.55 0.28 117.51 126.20 1pke h ILE 206 Ca -0.40 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.71 1pke h ILE 206 Cb 1.15 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1pke h ILE 206 CO 0.57 0.19 -0.44 0.03 0.00 0.00 0.00 178.15 178.51 1pke h ARG 207 N 0.00 0.00 0.00 2.37 2.47 -1.89 -3.38 114.38 113.95 1pke h ARG 207 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1pke h ARG 207 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1pke h ARG 207 CO 0.03 0.54 -0.35 1.79 0.56 0.00 0.00 179.97 182.54 1pke h THR 208 N -1.00 0.70 -0.05 2.04 1.35 -1.93 -3.47 112.91 110.54 1pke h THR 208 Ca -0.09 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 1pke h THR 208 Cb 0.73 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1pke h THR 208 CO -0.06 0.34 -0.02 1.41 -0.25 0.00 0.00 175.52 176.95 1pke n HIS 209 N -3.32 0.00 -2.86 4.73 8.25 0.99 -5.02 115.22 117.98 1pke n HIS 209 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1pke n HIS 209 Cb 0.58 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 1pke n HIS 209 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1pke s GLU 210 N -0.91 4.64 0.42 -0.41 -1.05 -1.24 -4.82 118.70 115.33 1pke s GLU 210 Ca 0.00 1.29 0.06 0.00 -0.15 0.00 0.00 54.97 56.16 1pke s GLU 210 Cb 0.00 -3.33 -0.07 0.00 -0.44 0.00 0.00 34.13 30.29 1pke s GLU 210 CO 0.00 0.37 0.01 -0.65 0.95 0.00 0.00 175.26 175.94 1pke s GLN 211 N -0.49 1.99 0.00 -4.83 1.11 -1.26 -1.61 119.66 114.57 1pke s GLN 211 Ca 0.41 -2.15 0.00 0.00 0.01 0.00 0.00 55.36 53.63 1pke s GLN 211 Cb -0.23 -1.58 0.00 0.00 -1.01 0.00 0.00 33.01 30.19 1pke s GLN 211 CO 0.28 -0.11 0.00 0.25 0.01 0.00 0.00 175.29 175.71 1pke n THR 212 N -1.01 0.00 0.00 -0.19 -2.24 -0.88 -4.97 114.28 104.99 1pke n THR 212 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1pke n THR 212 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1pke n THR 212 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pke n GLN 218 N 0.00 0.00 -3.53 -0.78 10.64 -1.26 -5.09 117.38 117.35 1pke n GLN 218 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1pke n GLN 218 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1pke n GLN 218 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1pke s THR 219 N 0.00 0.03 0.00 -0.39 2.01 -1.26 -4.57 115.64 111.47 1pke s THR 219 Ca 0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1pke s THR 219 Cb 0.00 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1pke s THR 219 CO 0.00 -0.16 0.00 0.35 -0.69 0.00 0.00 174.62 174.12 1pke n THR 220 N -0.30 0.00 -1.86 -0.82 -2.24 -1.26 -4.91 114.28 102.88 1pke n THR 220 Ca -0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 1pke n THR 220 Cb 0.64 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1pke n THR 220 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pke n PHE 221 N -2.00 2.62 -0.02 4.78 0.99 -1.26 -4.73 117.46 117.84 1pke n PHE 221 Ca 0.00 -2.25 -0.11 0.00 -0.00 0.00 0.00 57.45 55.09 1pke n PHE 221 Cb 0.00 -1.25 0.03 0.00 -1.00 0.00 0.00 39.48 37.26 1pke n PHE 221 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1pke h ASN 222 N 3.11 0.72 -0.98 4.37 2.35 -2.00 -3.26 115.58 119.89 1pke h ASN 222 Ca 0.53 -0.38 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1pke h ASN 222 Cb 0.21 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1pke h ASN 222 CO 1.29 1.11 0.62 0.44 -1.65 0.00 0.00 177.43 179.24 1pke h ASP 223 N 0.51 0.95 -0.13 5.81 3.45 -1.99 0.87 116.42 125.88 1pke h ASP 223 Ca 0.02 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.53 1pke h ASP 223 Cb 1.08 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.67 1pke h ASP 223 CO 0.11 0.56 -0.01 -0.03 -1.57 0.00 0.00 179.24 178.30 1pke h MET 224 N 1.05 0.03 -0.33 3.56 4.05 -1.96 -1.20 114.93 120.13 1pke h MET 224 Ca 0.45 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.87 1pke h MET 224 Cb 0.32 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1pke h MET 224 CO -0.22 0.02 0.19 0.82 0.23 0.00 0.00 176.91 177.95 1pke h ILE 225 N 0.03 1.13 -0.94 1.77 1.08 -1.31 -2.13 117.51 117.15 1pke h ILE 225 Ca 0.06 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1pke h ILE 225 Cb 0.08 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1pke h ILE 225 CO -0.11 0.13 0.62 0.50 -0.69 0.00 0.00 178.15 178.60 1pke h LYS 226 N 0.42 1.19 -0.38 2.37 1.63 -0.65 -0.92 116.57 120.23 1pke h LYS 226 Ca 0.12 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1pke h LYS 226 Cb 0.05 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1pke h LYS 226 CO -0.02 0.79 0.05 0.82 -3.45 0.00 0.00 179.45 177.64 1pke h ILE 227 N 1.22 1.24 0.16 2.00 2.04 -1.03 -1.35 117.51 121.79 1pke h ILE 227 Ca 0.36 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1pke h ILE 227 Cb -0.06 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1pke h ILE 227 CO -0.10 0.30 -0.08 0.00 0.00 0.00 0.00 178.15 178.27 1pke h ALA 228 N 0.91 -0.21 -0.67 1.87 0.00 -0.94 0.11 119.26 120.33 1pke h ALA 228 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1pke h ALA 228 Cb 0.38 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1pke h ALA 228 CO 0.01 -0.57 0.16 -0.07 0.00 0.00 0.00 179.25 178.77 1pke h LEU 229 N -0.30 1.00 -0.72 0.00 3.38 -1.22 -2.60 115.31 114.86 1pke h LEU 229 Ca -0.02 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1pke h LEU 229 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pke h LEU 229 CO 0.04 0.97 -0.60 -0.08 0.09 0.00 0.00 178.44 178.85 1pke h GLU 230 N 1.01 0.13 0.00 1.13 4.57 -1.16 -3.00 114.58 117.26 1pke h GLU 230 Ca 0.21 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1pke h GLU 230 Cb 0.36 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1pke h GLU 230 CO 0.00 0.69 -0.40 0.66 -1.18 0.00 0.00 179.01 178.78 1pke h SER 231 N 0.09 0.00 -0.48 1.04 4.64 -0.44 -2.94 113.55 115.46 1pke h SER 231 Ca -0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1pke h SER 231 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1pke h SER 231 CO 0.09 0.40 -0.10 0.58 -0.87 0.00 0.00 176.83 176.93 1pke h VAL 232 N 0.00 1.26 -0.34 0.95 2.07 -1.32 -2.38 116.25 116.49 1pke h VAL 232 Ca -0.00 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 1pke h VAL 232 Cb 0.81 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1pke h VAL 232 CO 0.05 0.43 -0.29 -0.07 0.02 0.00 0.00 177.57 177.71 1pke h LEU 233 N 0.85 0.75 -1.14 2.57 3.38 -1.53 -1.91 115.31 118.28 1pke h LEU 233 Ca 0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1pke h LEU 233 Cb 0.64 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1pke h LEU 233 CO 0.04 0.99 0.28 -0.07 0.09 0.00 0.00 178.44 179.78 1pke h LEU 234 N 0.62 0.80 -1.05 1.67 3.38 -1.36 -2.08 115.31 117.29 1pke h LEU 234 Ca 0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pke h LEU 234 Cb 0.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1pke h LEU 234 CO 0.07 0.69 -0.46 1.23 0.09 0.00 0.00 178.44 180.06 1pke h GLY 235 N 0.97 0.03 2.00 0.83 0.00 -0.94 -2.90 103.07 103.07 1pke h GLY 235 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1pke h GLY 235 CO -0.03 0.03 -0.17 -0.55 0.00 0.00 0.00 176.54 175.82 1pke h ASP 236 N 0.03 0.00 -0.01 0.19 3.32 -0.64 -3.52 116.42 115.80 1pke h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pke h ASP 236 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pke h ASP 236 CO 0.06 0.17 0.00 0.29 -1.72 0.00 0.00 179.24 178.04