#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 2.54 0.44 0.00 -4.23 0.76 -4.93 115.64 110.22 1pke s THR 2 Ca 0.00 -1.65 0.22 0.00 -1.18 0.00 0.00 61.69 59.08 1pke s THR 2 Cb 0.00 -2.99 0.42 0.00 1.34 0.00 0.00 72.50 71.27 1pke s THR 2 CO 0.00 -0.05 1.82 -0.65 -0.54 0.00 0.00 174.62 175.20 1pke h PRO 3 N 1.41 0.29 -0.01 3.99 0.11 -2.02 -2.67 132.00 133.11 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 32.30 1pke h PRO 3 CO 0.66 0.19 -0.02 0.72 -0.21 0.00 0.00 178.00 179.35 1pke n HIS 4 N -4.49 0.00 -3.64 0.65 8.25 -1.26 -4.92 115.22 109.82 1pke n HIS 4 Ca 0.22 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.41 1pke n HIS 4 Cb 0.87 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.58 0.12 -1.05 1.59 1.01 -1.00 -4.68 121.20 116.61 1pke s ILE 5 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1pke s ILE 5 Cb 0.05 -0.80 0.14 0.00 0.01 0.00 0.00 42.46 41.86 1pke s ILE 5 CO 0.09 -0.34 1.27 0.21 0.00 0.00 0.00 174.94 176.16 1pke s ASN 6 N 2.03 6.81 0.34 3.58 2.47 -1.26 -0.17 114.94 128.75 1pke s ASN 6 Ca 0.03 -2.44 -0.15 0.00 0.42 0.00 0.00 52.86 50.72 1pke s ASN 6 Cb -0.16 -2.41 0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1pke s ASN 6 CO -0.13 -0.94 0.72 0.00 -3.72 0.00 0.00 177.10 173.02 1pke s ALA 7 N 2.29 -0.66 0.24 1.71 0.00 -1.26 -4.72 121.76 119.37 1pke s ALA 7 Ca 0.37 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.70 1pke s ALA 7 Cb -0.04 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1pke s ALA 7 CO -0.05 -0.97 -0.18 -1.21 0.00 0.00 0.00 175.76 173.35 1pke s GLU 8 N -2.91 1.52 -0.07 0.00 0.41 -1.26 -0.55 118.70 115.84 1pke s GLU 8 Ca 0.16 -1.67 -0.38 0.00 -0.41 0.00 0.00 54.97 52.67 1pke s GLU 8 Cb -0.05 -1.52 -0.16 0.00 -1.78 0.00 0.00 34.13 30.62 1pke s GLU 8 CO 0.11 0.28 1.52 -0.12 -0.49 0.00 0.00 175.26 176.56 1pke n MET 9 N -0.44 1.17 0.00 1.61 0.00 -1.26 -1.64 117.12 116.56 1pke n MET 9 Ca -0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 58.05 1pke n MET 9 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.73 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 3.25 2.75 0.18 -5.12 0.00 -1.26 -4.96 105.19 100.03 1pke n GLY 10 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.00 -3.21 1.61 3.32 -1.68 -3.44 116.42 113.03 1pke h ASP 11 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1pke h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1pke h ASP 11 CO 0.00 0.40 -0.61 -0.36 -1.72 0.00 0.00 179.24 176.95 1pke s PHE 12 N -3.59 3.18 1.11 4.55 0.40 -1.26 -4.74 117.98 117.63 1pke s PHE 12 Ca 0.00 0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.26 1pke s PHE 12 Cb 0.11 -1.66 0.25 0.00 0.51 0.00 0.00 43.02 42.23 1pke s PHE 12 CO 0.70 0.51 1.18 0.00 0.70 0.00 0.00 175.22 178.31 1pke s ALA 13 N -1.25 1.18 -2.16 5.36 0.00 -1.26 -4.92 121.76 118.71 1pke s ALA 13 Ca 0.25 -1.00 0.26 0.00 0.00 0.00 0.00 51.96 51.47 1pke s ALA 13 Cb -0.12 -2.86 1.35 0.00 0.00 0.00 0.00 23.12 21.49 1pke s ALA 13 CO 0.16 -3.16 1.90 -0.40 0.00 0.00 0.00 175.76 174.26 1pke n ASP 14 N -4.39 0.59 -3.88 0.00 5.75 -1.26 -4.62 116.55 108.73 1pke n ASP 14 Ca 0.13 -1.32 -0.22 0.00 -0.01 0.00 0.00 54.79 53.38 1pke n ASP 14 Cb 0.59 -0.02 -0.17 0.00 -1.03 0.00 0.00 41.12 40.50 1pke n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pke s VAL 15 N -1.97 0.62 -0.06 2.12 1.01 -1.26 -0.75 120.40 120.11 1pke s VAL 15 Ca 0.39 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1pke s VAL 15 Cb 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1pke s VAL 15 CO 0.31 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 1pke s VAL 16 N 1.18 1.42 -0.12 2.92 1.01 -0.70 -2.49 120.40 123.62 1pke s VAL 16 Ca -0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1pke s VAL 16 Cb -0.14 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1pke s VAL 16 CO -0.01 0.41 0.26 -0.76 0.00 0.00 0.00 175.10 174.99 1pke s LEU 17 N 0.28 4.33 -0.17 3.92 1.02 0.43 -1.68 118.68 126.80 1pke s LEU 17 Ca -0.09 0.56 -0.03 0.00 0.02 0.00 0.00 54.13 54.58 1pke s LEU 17 Cb -0.14 -2.30 0.06 0.00 0.02 0.00 0.00 46.19 43.83 1pke s LEU 17 CO 0.04 0.24 0.05 -0.04 0.02 0.00 0.00 176.35 176.65 1pke s MET 18 N -0.27 0.47 0.42 1.70 -1.94 -0.36 -1.73 119.30 117.58 1pke s MET 18 Ca 0.17 -0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 53.88 1pke s MET 18 Cb -0.13 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 1pke s MET 18 CO 0.05 -0.60 0.66 -1.25 -0.01 0.00 0.00 175.02 173.87 1pke s PRO 19 N 1.95 3.40 0.10 2.03 0.04 -1.25 -2.01 135.00 139.26 1pke s PRO 19 Ca 0.01 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 60.76 1pke s PRO 19 Cb -0.16 -2.53 -0.17 0.00 0.04 0.00 0.00 34.50 31.67 1pke s PRO 19 CO -0.08 -0.08 1.25 0.78 0.04 0.00 0.00 177.00 178.91 1pke h GLY 20 N 0.48 0.73 -6.14 0.56 0.00 -1.91 -2.20 103.07 94.58 1pke h GLY 20 Ca -0.48 -1.21 -0.59 0.00 0.00 0.00 0.00 47.33 45.06 1pke h GLY 20 CO 0.61 1.07 0.66 -0.35 0.00 0.00 0.00 176.54 178.52 1pke s ASP 21 N -7.20 6.75 0.55 0.19 -1.08 -1.26 -3.48 116.67 111.14 1pke s ASP 21 Ca -0.09 0.73 0.25 0.00 -0.52 0.00 0.00 52.55 52.92 1pke s ASP 21 Cb 0.08 -2.48 1.44 0.00 -1.46 0.00 0.00 42.92 40.50 1pke s ASP 21 CO 0.90 -0.84 2.03 1.55 0.52 0.00 0.00 175.17 179.34 1pke h PRO 22 N 8.33 0.00 0.00 4.34 0.13 -1.95 -0.71 132.00 142.14 1pke h PRO 22 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1pke h PRO 22 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pke h PRO 22 CO 0.99 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 1pke n LEU 23 N -4.24 0.16 0.16 1.56 4.32 -1.26 -2.90 117.00 114.81 1pke n LEU 23 Ca 0.06 0.54 0.05 0.00 -0.02 0.00 0.00 56.01 56.64 1pke n LEU 23 Cb 0.48 -0.52 0.09 0.00 -1.62 0.00 0.00 43.42 41.85 1pke n LEU 23 CO 0.34 -0.31 0.57 0.03 -1.22 0.00 0.00 177.39 176.79 1pke h ARG 24 N 0.00 0.00 0.09 3.23 -0.00 -1.52 -3.33 114.38 112.85 1pke h ARG 24 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pke h ARG 24 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1pke h ARG 24 CO 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 179.97 180.30 1pke h ALA 25 N 1.63 -0.12 -0.42 0.04 0.00 -1.70 -1.49 119.26 117.20 1pke h ALA 25 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1pke h ALA 25 Cb 1.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1pke h ALA 25 CO 0.05 -0.52 0.02 -0.22 0.00 0.00 0.00 179.25 178.58 1pke h LYS 26 N -0.23 0.66 -0.20 0.00 1.63 -1.78 -1.47 116.57 115.19 1pke h LYS 26 Ca -0.01 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1pke h LYS 26 Cb 0.19 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1pke h LYS 26 CO 0.02 0.67 0.09 -0.92 -3.45 0.00 0.00 179.45 175.86 1pke h TYR 27 N 0.63 0.29 -0.62 1.91 5.03 -1.63 -2.37 116.97 120.22 1pke h TYR 27 Ca 0.13 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 1pke h TYR 27 Cb 0.36 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1pke h TYR 27 CO 0.02 0.32 0.22 0.82 -1.32 0.00 0.00 178.16 178.22 1pke h ILE 28 N 0.18 1.24 -0.12 1.81 2.04 -1.06 -0.84 117.51 120.77 1pke h ILE 28 Ca 0.07 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1pke h ILE 28 Cb 0.15 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1pke h ILE 28 CO -0.01 0.30 0.08 0.00 0.00 0.00 0.00 178.15 178.52 1pke h ALA 29 N 1.08 0.15 0.00 1.87 0.00 -1.19 0.15 119.26 121.33 1pke h ALA 29 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pke h ALA 29 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pke h ALA 29 CO -0.01 -0.36 -0.17 -0.85 0.00 0.00 0.00 179.25 177.86 1pke n GLU 30 N -5.00 0.20 -0.06 0.00 0.28 -0.90 -2.13 120.64 113.04 1pke n GLU 30 Ca -0.05 0.13 -0.01 0.00 -0.16 0.00 0.00 57.16 57.07 1pke n GLU 30 Cb 0.03 -1.70 -0.15 0.00 1.43 0.00 0.00 31.44 31.05 1pke n GLU 30 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1pke n THR 31 N -2.04 0.75 0.00 3.84 -1.04 -0.32 -4.77 114.28 110.70 1pke n THR 31 Ca 0.05 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1pke n THR 31 Cb 0.41 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1pke n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1pke n PHE 32 N -2.49 0.00 -3.78 -1.42 3.01 0.53 -5.05 117.46 108.25 1pke n PHE 32 Ca -0.19 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.00 1pke n PHE 32 Cb 0.87 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.31 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 -2.75 4.26 0.09 4.37 1.43 -0.90 -4.80 118.68 120.38 1pke s LEU 33 Ca 0.00 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1pke s LEU 33 Cb 0.00 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1pke s LEU 33 CO 0.00 -0.02 0.12 -1.61 0.23 0.00 0.00 176.35 175.07 1pke s GLU 34 N -3.37 3.02 -1.65 1.70 0.41 -0.14 -4.65 118.70 114.02 1pke s GLU 34 Ca 0.37 -0.67 -0.09 0.00 -0.41 0.00 0.00 54.97 54.17 1pke s GLU 34 Cb -0.11 -2.79 0.09 0.00 -1.78 0.00 0.00 34.13 29.54 1pke s GLU 34 CO 0.29 0.56 0.30 -0.25 -0.49 0.00 0.00 175.26 175.67 1pke n ASP 35 N 0.24 -0.40 -4.77 -0.19 8.00 -1.26 -1.78 116.55 116.38 1pke n ASP 35 Ca -0.08 -1.22 -0.37 0.00 0.71 0.00 0.00 54.79 53.83 1pke n ASP 35 Cb 0.52 -1.86 -0.02 0.00 -0.02 0.00 0.00 41.12 39.75 1pke n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pke s ALA 36 N -3.90 3.06 0.02 2.24 0.00 -1.26 -4.61 121.76 117.31 1pke s ALA 36 Ca 0.32 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1pke s ALA 36 Cb -0.18 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1pke s ALA 36 CO 0.99 -0.56 -0.05 -0.98 0.00 0.00 0.00 175.76 175.16 1pke s ARG 37 N -2.52 0.40 0.18 0.00 1.70 -0.79 -4.96 118.95 112.95 1pke s ARG 37 Ca 0.60 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 1pke s ARG 37 Cb -0.29 -0.16 -0.07 0.00 -0.57 0.00 0.00 34.95 33.85 1pke s ARG 37 CO 0.36 0.03 1.00 -2.00 -1.08 0.00 0.00 175.30 173.60 1pke s GLU 38 N -1.16 4.72 0.00 3.89 2.12 -1.26 -2.25 118.70 124.75 1pke s GLU 38 Ca -0.09 1.55 0.00 0.00 0.36 0.00 0.00 54.97 56.79 1pke s GLU 38 Cb -0.08 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1pke s GLU 38 CO -0.00 0.27 0.23 1.33 -0.54 0.00 0.00 175.26 176.55 1pke n VAL 39 N 2.21 0.00 -3.53 3.70 0.24 0.10 -4.97 118.33 116.09 1pke n VAL 39 Ca 0.01 -0.31 -0.18 0.00 -2.04 0.00 0.00 64.34 61.82 1pke n VAL 39 Cb 0.48 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.17 -0.66 0.00 -1.34 3.04 -1.22 -4.56 114.94 110.03 1pke s ASN 40 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 52.86 53.65 1pke s ASN 40 Cb 0.00 0.58 0.00 0.00 -1.54 0.00 0.00 41.25 40.29 1pke s ASN 40 CO 0.00 -0.59 0.06 -0.46 -3.04 0.00 0.00 177.10 173.07 1pke n ASN 41 N 0.99 0.00 -4.74 -4.21 0.23 -1.25 -2.28 115.26 104.01 1pke n ASN 41 Ca -0.19 -1.00 -0.42 0.00 -0.53 0.00 0.00 54.58 52.45 1pke n ASN 41 Cb 0.57 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 2.01 -0.76 3.53 1.01 -1.26 -1.02 120.40 123.91 1pke s VAL 42 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1pke s VAL 42 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1pke s VAL 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.64 1pke n ARG 43 N 2.93 -1.77 -1.02 2.72 1.74 -1.26 -1.60 116.66 118.41 1pke n ARG 43 Ca 0.12 0.69 -0.01 0.00 -0.77 0.00 0.00 57.85 57.88 1pke n ARG 43 Cb 0.36 -4.99 -0.00 0.00 -1.02 0.00 0.00 32.46 26.81 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 0.41 0.46 3.39 -0.13 0.00 -0.18 -4.98 105.19 104.15 1pke n GLY 44 Ca -0.07 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 1pke n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pke s MET 45 N -1.31 3.48 0.02 1.61 0.00 -0.63 -5.00 119.30 117.47 1pke s MET 45 Ca 0.00 -1.94 -0.30 0.00 0.00 0.00 0.00 55.69 53.45 1pke s MET 45 Cb 0.00 -4.59 -0.05 0.00 0.00 0.00 0.00 34.83 30.20 1pke s MET 45 CO 0.00 -1.54 1.23 -0.51 0.00 0.00 0.00 175.02 174.20 1pke s LEU 46 N 1.71 4.33 0.07 4.11 1.43 -1.26 -3.78 118.68 125.30 1pke s LEU 46 Ca 0.22 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.38 1pke s LEU 46 Cb -0.11 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1pke s LEU 46 CO -0.06 -0.54 -0.22 -0.83 0.23 0.00 0.00 176.35 174.93 1pke s GLY 47 N 1.29 1.54 0.06 -3.19 0.00 -0.96 -4.20 107.32 101.86 1pke s GLY 47 Ca 0.58 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1pke s GLY 47 CO 0.27 -1.22 -0.07 -1.36 0.00 0.00 0.00 173.10 170.72 1pke s PHE 48 N -0.95 0.71 -0.03 1.90 0.08 0.20 -0.72 117.98 119.17 1pke s PHE 48 Ca 0.14 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1pke s PHE 48 Cb -0.10 -0.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.95 1pke s PHE 48 CO 0.05 -0.12 -0.01 0.99 -0.10 0.00 0.00 175.22 176.03 1pke s THR 49 N -2.11 0.28 0.00 0.64 2.01 -0.95 -0.79 115.64 114.71 1pke s THR 49 Ca -0.03 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pke s THR 49 Cb -0.05 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1pke s THR 49 CO -0.02 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1pke n GLY 50 N 4.15 3.52 3.16 4.40 0.00 0.12 -1.88 105.19 118.67 1pke n GLY 50 Ca -0.25 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1pke n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pke s THR 51 N -2.26 1.08 -0.22 2.61 -4.23 -0.74 -0.52 115.64 111.37 1pke s THR 51 Ca 0.00 -1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1pke s THR 51 Cb 0.00 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.85 1pke s THR 51 CO 0.00 -0.23 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.34 1pke s TYR 52 N -1.28 2.09 -1.43 3.99 6.14 0.77 -0.97 117.35 126.65 1pke s TYR 52 Ca -0.02 -1.52 -0.07 0.00 0.64 0.00 0.00 57.07 56.09 1pke s TYR 52 Cb -0.10 -1.46 0.04 0.00 0.42 0.00 0.00 41.96 40.87 1pke s TYR 52 CO 0.02 -0.73 0.81 1.63 0.64 0.00 0.00 175.55 177.93 1pke n LYS 53 N 4.76 -5.04 0.00 4.97 5.02 -1.26 -1.37 118.16 125.24 1pke n LYS 53 Ca -0.12 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1pke n LYS 53 Cb 0.45 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 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 -1.66 3.15 3.73 0.72 0.00 -1.26 -5.02 105.19 104.85 1pke n GLY 54 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.31 4.60 0.01 1.61 3.00 -0.47 -4.97 118.95 122.41 1pke s ARG 55 Ca 0.00 1.30 -0.30 0.00 -1.00 0.00 0.00 55.73 55.72 1pke s ARG 55 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 34.95 31.51 1pke s ARG 55 CO 0.00 0.18 1.28 0.21 0.00 0.00 0.00 175.30 176.96 1pke s LYS 56 N 0.22 4.35 0.00 5.12 2.20 -1.26 -0.17 119.74 130.20 1pke s LYS 56 Ca 0.45 1.82 -0.07 0.00 -0.36 0.00 0.00 55.97 57.81 1pke s LYS 56 Cb -0.22 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1pke s LYS 56 CO 0.27 -0.43 0.14 0.42 -0.36 0.00 0.00 175.35 175.38 1pke s ILE 57 N 1.87 0.08 0.15 5.43 1.01 0.33 -4.68 121.20 125.39 1pke s ILE 57 Ca 0.60 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1pke s ILE 57 Cb -0.29 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1pke s ILE 57 CO 0.26 -0.38 -0.18 -0.44 0.00 0.00 0.00 174.94 174.20 1pke s SER 58 N -1.40 2.58 -0.02 3.58 0.01 -1.04 -0.70 113.70 116.72 1pke s SER 58 Ca -0.15 -0.84 -0.01 0.00 1.31 0.00 0.00 55.95 56.26 1pke s SER 58 Cb -0.08 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1pke s SER 58 CO 0.02 -0.04 0.04 0.54 0.41 0.00 0.00 173.24 174.20 1pke s VAL 59 N -1.99 -0.01 -0.28 3.43 0.11 0.03 -0.43 120.40 121.26 1pke s VAL 59 Ca 0.14 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 1pke s VAL 59 Cb -0.06 -0.06 0.13 0.00 -1.53 0.00 0.00 36.38 34.85 1pke s VAL 59 CO 0.06 0.01 1.05 -0.32 -3.33 0.00 0.00 175.10 172.57 1pke s MET 60 N 0.14 0.47 0.85 1.54 0.00 -0.71 -0.62 119.30 120.97 1pke s MET 60 Ca -0.01 0.57 -0.11 0.00 0.00 0.00 0.00 55.69 56.14 1pke s MET 60 Cb -0.02 0.22 0.10 0.00 0.00 0.00 0.00 34.83 35.14 1pke s MET 60 CO -0.00 -0.06 1.09 0.20 0.00 0.00 0.00 175.02 176.25 1pke s GLY 61 N 0.29 1.64 0.00 2.11 0.00 -1.26 -3.89 107.32 106.21 1pke s GLY 61 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1pke s GLY 61 CO -0.07 0.51 0.03 -2.39 0.00 0.00 0.00 173.10 171.18 1pke n HIS 62 N -3.76 0.00 0.00 1.90 1.44 -0.83 -4.90 115.22 109.08 1pke n HIS 62 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1pke n HIS 62 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 0.86 -2.58 3.74 -1.39 0.00 -1.23 -3.29 105.19 101.31 1pke n GLY 63 Ca 0.00 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.31 4.63 0.00 1.61 1.00 -1.26 -4.47 119.30 117.50 1pke s MET 64 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 55.69 57.37 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 0.13 0.00 0.41 0.00 0.00 0.00 175.02 175.56 1pke n GLY 65 N 1.96 2.13 0.21 -0.03 0.00 -1.24 -4.62 105.19 103.60 1pke n GLY 65 Ca 0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 0.76 -0.85 -0.61 2.04 -1.76 -2.63 117.51 114.46 1pke h ILE 66 Ca 0.00 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1pke h ILE 66 Cb 0.00 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 1pke h ILE 66 CO 0.00 0.06 0.52 -0.65 0.00 0.00 0.00 178.15 178.08 1pke h PRO 67 N 0.33 0.90 0.25 2.37 0.11 -1.91 -1.77 132.00 132.29 1pke h PRO 67 Ca 0.27 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1pke h PRO 67 Cb 0.34 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1pke h PRO 67 CO -0.30 0.60 -0.12 1.03 -0.21 0.00 0.00 178.00 179.00 1pke h SER 68 N 0.93 -0.28 0.46 -2.05 0.87 -1.74 -3.13 113.55 108.61 1pke h SER 68 Ca 0.38 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1pke h SER 68 Cb 0.22 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1pke h SER 68 CO -0.19 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.25 1pke h SER 70 N 0.00 0.60 0.36 0.00 0.02 -1.29 -1.23 113.55 112.02 1pke h SER 70 Ca 0.00 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1pke h SER 70 Cb 0.23 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1pke h SER 70 CO 0.00 1.01 -0.17 0.40 -1.14 0.00 0.00 176.83 176.92 1pke h ILE 71 N 0.43 0.63 0.19 3.27 2.04 -1.31 -2.61 117.51 120.14 1pke h ILE 71 Ca 0.02 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1pke h ILE 71 Cb 1.05 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1pke h ILE 71 CO 0.10 0.08 -0.09 1.88 0.00 0.00 0.00 178.15 180.12 1pke h TYR 72 N -0.74 -0.23 -0.84 1.37 0.05 -1.54 -2.15 116.97 112.89 1pke h TYR 72 Ca -0.05 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.78 1pke h TYR 72 Cb 0.50 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.27 1pke h TYR 72 CO 0.00 -0.02 0.55 1.79 -1.05 0.00 0.00 178.16 179.43 1pke h THR 73 N -0.40 1.07 -0.31 -2.88 1.35 -1.33 -2.11 112.91 108.30 1pke h THR 73 Ca -0.03 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 1pke h THR 73 Cb 0.31 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1pke h THR 73 CO 0.04 0.18 -0.24 0.50 -0.25 0.00 0.00 175.52 175.75 1pke h LYS 74 N 0.96 0.70 -0.48 4.72 1.63 -1.37 -2.32 116.57 120.42 1pke h LYS 74 Ca 0.36 -0.34 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 1pke h LYS 74 Cb 0.17 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1pke h LYS 74 CO -0.12 0.95 -0.03 0.93 -3.45 0.00 0.00 179.45 177.73 1pke h GLU 75 N 0.45 0.82 -0.51 1.90 5.08 -1.09 -1.62 114.58 119.61 1pke h GLU 75 Ca 0.06 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1pke h GLU 75 Cb 0.79 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1pke h GLU 75 CO 0.06 0.84 0.17 -0.07 -1.00 0.00 0.00 179.01 179.02 1pke h LEU 76 N 0.75 0.73 -0.20 1.33 3.38 -1.37 -0.02 115.31 119.91 1pke h LEU 76 Ca 0.14 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1pke h LEU 76 Cb 0.50 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1pke h LEU 76 CO 0.03 0.73 -0.18 0.40 0.09 0.00 0.00 178.44 179.50 1pke h ILE 77 N 0.69 1.33 0.00 1.22 2.04 -1.23 -2.23 117.51 119.33 1pke h ILE 77 Ca 0.17 -1.33 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 1pke h ILE 77 Cb 0.25 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1pke h ILE 77 CO -0.01 0.41 -1.11 0.71 0.00 0.00 0.00 178.15 178.15 1pke h THR 78 N 0.16 0.69 0.00 -0.27 1.35 -1.32 -3.33 112.91 110.20 1pke h THR 78 Ca 0.03 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1pke h THR 78 Cb 0.72 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1pke h THR 78 CO 0.05 0.39 -0.78 0.47 -0.25 0.00 0.00 175.52 175.40 1pke n ASP 79 N -3.03 1.64 0.00 5.36 9.92 -0.02 -4.67 116.55 125.75 1pke n ASP 79 Ca -0.06 -0.38 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1pke n ASP 79 Cb 0.82 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.45 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 -1.43 0.00 -2.12 1.24 3.01 -0.89 -4.54 117.46 112.73 1pke n PHE 80 Ca 0.00 -0.42 -0.18 0.00 1.01 0.00 0.00 57.45 57.85 1pke n PHE 80 Cb 0.15 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.42 0.21 3.73 1.37 0.00 -1.06 -4.60 105.19 104.41 1pke n GLY 81 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.85 3.50 -0.07 1.61 1.01 -0.92 -4.76 120.40 117.92 1pke s VAL 82 Ca 0.00 1.20 0.17 0.00 0.00 0.00 0.00 61.98 63.35 1pke s VAL 82 Cb 0.00 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.36 1pke s VAL 82 CO 0.00 0.16 0.29 0.29 0.00 0.00 0.00 175.10 175.84 1pke n LYS 83 N 2.92 0.78 -3.92 2.72 5.02 0.07 -4.50 118.16 121.25 1pke n LYS 83 Ca 0.06 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 1pke n LYS 83 Cb 0.44 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 1pke n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pke s LYS 84 N -2.98 0.19 -0.11 1.97 1.02 -0.82 -1.51 119.74 117.51 1pke s LYS 84 Ca -0.07 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.00 1pke s LYS 84 Cb 0.09 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1pke s LYS 84 CO 0.73 -0.08 -0.22 0.42 -0.92 0.00 0.00 175.35 175.28 1pke s ILE 85 N 0.66 1.97 -0.22 2.17 -1.09 0.12 -1.72 121.20 123.10 1pke s ILE 85 Ca -0.06 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1pke s ILE 85 Cb -0.09 -1.72 0.05 0.00 -1.58 0.00 0.00 42.46 39.12 1pke s ILE 85 CO -0.01 0.54 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.51 1pke s ILE 86 N 0.52 1.69 0.04 2.92 1.01 -0.68 -1.41 121.20 125.30 1pke s ILE 86 Ca -0.15 -1.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 1pke s ILE 86 Cb -0.17 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.43 1pke s ILE 86 CO 0.05 0.08 0.74 -0.60 0.00 0.00 0.00 174.94 175.22 1pke s ARG 87 N 1.36 4.48 -0.28 2.79 3.52 0.03 -1.22 118.95 129.62 1pke s ARG 87 Ca -0.03 1.03 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 1pke s ARG 87 Cb -0.17 -3.36 0.08 0.00 -1.56 0.00 0.00 34.95 29.94 1pke s ARG 87 CO -0.07 0.31 0.01 0.14 -0.81 0.00 0.00 175.30 174.87 1pke s VAL 88 N -0.12 1.67 0.00 7.11 -7.23 -0.85 -1.27 120.40 119.71 1pke s VAL 88 Ca 0.37 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1pke s VAL 88 Cb -0.20 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1pke s VAL 88 CO 0.22 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1pke n GLY 89 N 4.56 4.95 3.49 2.32 0.00 -0.71 -4.17 105.19 115.63 1pke n GLY 89 Ca -0.05 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 1.21 3.24 0.26 1.61 1.04 -1.26 -1.83 113.70 117.96 1pke s SER 90 Ca 0.00 -1.21 -0.15 0.00 0.48 0.00 0.00 55.95 55.06 1pke s SER 90 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1pke s SER 90 CO 0.00 -0.30 0.55 0.00 0.98 0.00 0.00 173.24 174.48 1pke s GLY 92 N -2.98 1.64 0.09 0.00 0.00 -0.54 -0.89 107.32 104.64 1pke s GLY 92 Ca 0.18 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.88 1pke s GLY 92 CO 0.08 -0.88 0.20 0.00 0.00 0.00 0.00 173.10 172.50 1pke s ALA 93 N -0.89 3.89 0.00 3.20 0.00 -0.26 0.02 121.76 127.73 1pke s ALA 93 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1pke s ALA 93 Cb -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1pke s ALA 93 CO 0.04 0.72 0.00 1.33 0.00 0.00 0.00 175.76 177.85 1pke n VAL 94 N 0.06 0.00 -3.40 0.00 0.24 -1.26 -1.78 118.33 112.18 1pke n VAL 94 Ca -0.06 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.41 1pke n VAL 94 Cb 0.52 0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.83 4.39 0.24 1.34 1.43 -1.26 -4.83 118.68 118.15 1pke s LEU 95 Ca 0.00 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1pke s LEU 95 Cb 0.00 -2.65 0.35 0.00 0.03 0.00 0.00 46.19 43.92 1pke s LEU 95 CO 0.00 0.18 1.83 -0.65 0.23 0.00 0.00 176.35 177.94 1pke h PRO 96 N 5.59 0.85 0.00 1.29 0.11 -1.99 -2.50 132.00 135.36 1pke h PRO 96 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1pke h PRO 96 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pke h PRO 96 CO 0.68 0.56 0.00 -2.39 -0.21 0.00 0.00 178.00 176.64 1pke n HIS 97 N -4.68 0.00 -3.58 0.65 1.44 -1.26 -4.66 115.22 103.13 1pke n HIS 97 Ca 0.12 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.44 1pke n HIS 97 Cb 0.21 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 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 -2.00 4.96 0.27 0.61 1.01 -0.94 -5.08 120.40 119.22 1pke s VAL 98 Ca 0.34 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1pke s VAL 98 Cb 0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1pke s VAL 98 CO 0.26 -0.02 0.40 -1.59 0.00 0.00 0.00 175.10 174.16 1pke s LYS 99 N 1.66 3.42 0.46 2.72 -2.85 -1.26 -4.84 119.74 119.05 1pke s LYS 99 Ca 0.05 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 1pke s LYS 99 Cb -0.17 -2.85 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 1pke s LYS 99 CO 0.09 0.35 1.01 1.28 0.10 0.00 0.00 175.35 178.18 1pke n LEU 100 N -1.49 2.89 0.00 2.77 7.99 -1.26 -2.00 117.00 125.91 1pke n LEU 100 Ca -0.08 0.99 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 1pke n LEU 100 Cb 0.57 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 42.51 1pke n LEU 100 CO 0.45 -1.52 0.00 0.54 -1.51 0.00 0.00 177.39 175.35 1pke n ARG 101 N -0.09 -0.24 -2.29 3.23 1.74 0.07 -4.94 116.66 114.14 1pke n ARG 101 Ca 0.10 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 1pke n ARG 101 Cb 0.41 -3.29 -0.00 0.00 -1.02 0.00 0.00 32.46 28.55 1pke n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pke s ASP 102 N -2.42 5.84 -0.24 0.55 -0.00 -0.84 -4.62 116.67 114.93 1pke s ASP 102 Ca 0.00 2.17 -0.10 0.00 -0.00 0.00 0.00 52.55 54.62 1pke s ASP 102 Cb 0.00 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 1pke s ASP 102 CO 0.00 -1.14 0.16 -0.69 -0.00 0.00 0.00 175.17 173.50 1pke s VAL 103 N -1.76 5.32 -0.02 -1.27 1.01 -1.26 -0.43 120.40 121.99 1pke s VAL 103 Ca 0.71 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1pke s VAL 103 Cb -0.24 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1pke s VAL 103 CO 0.27 0.34 -0.23 0.68 0.00 0.00 0.00 175.10 176.17 1pke s VAL 104 N 1.08 1.82 -0.20 2.92 -7.23 0.19 -1.95 120.40 117.03 1pke s VAL 104 Ca 0.07 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1pke s VAL 104 Cb -0.14 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1pke s VAL 104 CO 0.05 0.51 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.64 1pke s ILE 105 N -0.50 3.08 -0.63 -0.62 1.01 0.16 -0.94 121.20 122.76 1pke s ILE 105 Ca 0.08 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 1pke s ILE 105 Cb -0.09 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.06 1pke s ILE 105 CO -0.00 0.46 1.00 -0.83 0.00 0.00 0.00 174.94 175.56 1pke s GLY 106 N 1.30 1.32 0.23 6.18 0.00 -0.78 -2.14 107.32 113.44 1pke s GLY 106 Ca 0.04 -1.56 0.10 0.00 0.00 0.00 0.00 44.72 43.30 1pke s GLY 106 CO -0.04 2.14 1.53 1.98 0.00 0.00 0.00 173.10 178.70 1pke h MET 107 N 9.53 0.00 -4.22 2.90 4.05 -1.53 -3.41 114.93 122.26 1pke h MET 107 Ca -0.28 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.01 1pke h MET 107 Cb 1.07 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.72 1pke h MET 107 CO 1.16 0.71 -0.60 0.20 0.23 0.00 0.00 176.91 178.61 1pke s GLY 108 N -4.53 0.58 -0.04 1.39 0.00 -1.20 -0.77 107.32 102.75 1pke s GLY 108 Ca -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 1pke s GLY 108 CO 0.78 -1.23 0.07 0.00 0.00 0.00 0.00 173.10 172.71 1pke s ALA 109 N -3.96 0.17 0.67 3.20 0.00 -0.59 -1.46 121.76 119.80 1pke s ALA 109 Ca 0.13 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1pke s ALA 109 Cb 0.07 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.64 1pke s ALA 109 CO -0.06 -0.46 0.96 0.00 0.00 0.00 0.00 175.76 176.20 1pke s THR 111 N -3.13 0.00 -0.88 0.00 -1.32 -1.26 -0.36 115.64 108.70 1pke s THR 111 Ca 0.59 -0.18 0.09 0.00 -1.21 0.00 0.00 61.69 60.99 1pke s THR 111 Cb -0.11 -1.26 0.24 0.00 -1.51 0.00 0.00 72.50 69.86 1pke s THR 111 CO 0.43 0.00 1.16 -0.90 -2.21 0.00 0.00 174.62 173.10 1pke n ASP 112 N -0.31 2.66 -4.88 8.08 3.85 -1.21 -4.98 116.55 119.75 1pke n ASP 112 Ca -0.09 -1.91 -0.30 0.00 -0.71 0.00 0.00 54.79 51.79 1pke n ASP 112 Cb 0.62 -0.17 0.05 0.00 -1.35 0.00 0.00 41.12 40.27 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 -0.97 5.35 0.00 -1.12 0.15 -1.26 -4.90 113.70 110.95 1pke s SER 113 Ca 0.19 1.13 0.12 0.00 0.70 0.00 0.00 55.95 58.08 1pke s SER 113 Cb 0.10 -1.91 0.09 0.00 -1.71 0.00 0.00 66.02 62.59 1pke s SER 113 CO 0.14 -1.41 0.86 1.17 1.20 0.00 0.00 173.24 175.20 1pke n LYS 114 N -3.05 0.64 -0.15 5.44 4.81 -1.26 -4.70 118.16 119.90 1pke n LYS 114 Ca 0.07 -1.18 -0.03 0.00 -0.87 0.00 0.00 58.31 56.30 1pke n LYS 114 Cb 0.57 -1.22 0.05 0.00 0.02 0.00 0.00 35.03 34.46 1pke n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pke h VAL 115 N 2.26 0.71 -0.18 3.15 -1.51 -2.00 -1.61 116.25 117.08 1pke h VAL 115 Ca 0.00 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 65.28 1pke h VAL 115 Cb 0.48 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 1pke h VAL 115 CO 0.00 0.03 -0.43 0.78 -1.23 0.00 0.00 177.57 176.72 1pke h ASN 116 N 0.19 0.45 -0.03 4.19 -0.26 -1.93 -2.61 115.58 115.58 1pke h ASN 116 Ca 0.23 -0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.69 1pke h ASN 116 Cb 0.32 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1pke h ASN 116 CO -0.33 0.83 -0.20 0.03 -1.06 0.00 0.00 177.43 176.70 1pke h ARG 117 N 0.35 0.41 -0.04 0.81 3.08 -1.69 0.32 114.38 117.62 1pke h ARG 117 Ca 0.03 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1pke h ARG 117 Cb 0.91 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1pke h ARG 117 CO 0.08 0.60 -0.30 0.82 -1.07 0.00 0.00 179.97 180.09 1pke h ILE 118 N 0.37 1.23 0.18 2.04 2.04 -1.04 0.30 117.51 122.64 1pke h ILE 118 Ca 0.06 -1.10 -0.33 0.00 1.00 0.00 0.00 64.86 64.49 1pke h ILE 118 Cb 0.57 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1pke h ILE 118 CO 0.04 0.32 -1.62 0.03 0.00 0.00 0.00 178.15 176.92 1pke h ARG 119 N 0.06 0.39 -1.38 2.37 3.08 -0.95 -3.38 114.38 114.57 1pke h ARG 119 Ca 0.01 -0.66 -0.71 0.00 0.07 0.00 0.00 59.98 58.69 1pke h ARG 119 Cb 0.57 0.25 -0.29 0.00 0.08 0.00 0.00 29.97 30.57 1pke h ARG 119 CO 0.04 1.29 0.83 0.34 -1.07 0.00 0.00 179.97 181.40 1pke n PHE 120 N -3.58 3.13 -4.36 3.04 7.35 0.11 -4.91 117.46 118.23 1pke n PHE 120 Ca -0.20 -2.74 -0.34 0.00 -0.76 0.00 0.00 57.45 53.41 1pke n PHE 120 Cb 1.07 -1.27 -0.09 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.76 -0.88 -2.01 -4.13 5.02 -1.15 -0.58 118.16 113.68 1pke n LYS 121 Ca 0.58 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 1pke n LYS 121 Cb 0.51 -3.85 -0.04 0.00 -0.02 0.00 0.00 35.03 31.63 1pke n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pke n ASP 122 N -2.73 -5.34 -3.36 4.39 2.03 0.10 -5.01 116.55 106.63 1pke n ASP 122 Ca -0.20 0.19 -0.12 0.00 0.52 0.00 0.00 54.79 55.17 1pke n ASP 122 Cb 0.62 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.59 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 -3.35 -1.28 -3.20 -0.67 8.25 0.25 -5.02 115.22 110.19 1pke n HIS 123 Ca -0.21 -1.10 -0.43 0.00 -0.26 0.00 0.00 57.72 55.72 1pke n HIS 123 Cb 0.65 -0.22 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.56 6.26 -0.28 0.41 -0.00 -1.26 -4.59 116.67 114.65 1pke s ASP 124 Ca 0.17 -0.53 -0.11 0.00 -0.00 0.00 0.00 52.55 52.07 1pke s ASP 124 Cb -0.01 -2.28 -0.05 0.00 -0.00 0.00 0.00 42.92 40.58 1pke s ASP 124 CO 0.11 -0.70 0.20 0.12 -0.00 0.00 0.00 175.17 174.89 1pke s PHE 125 N 2.51 3.22 -0.60 4.23 5.36 -1.26 -5.04 117.98 126.41 1pke s PHE 125 Ca 0.17 0.12 -0.28 0.00 -0.96 0.00 0.00 56.93 55.99 1pke s PHE 125 Cb -0.16 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.15 1pke s PHE 125 CO 0.16 -0.17 1.31 0.00 -1.46 0.00 0.00 175.22 175.06 1pke s ALA 126 N 1.78 2.87 -0.45 11.12 0.00 -1.26 -4.96 121.76 130.85 1pke s ALA 126 Ca 0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1pke s ALA 126 Cb -0.16 -4.10 0.02 0.00 0.00 0.00 0.00 23.12 18.88 1pke s ALA 126 CO 0.11 -2.89 1.25 0.00 0.00 0.00 0.00 175.76 174.22 1pke s ALA 127 N 5.60 3.12 0.25 0.00 0.00 -1.26 -5.00 121.76 124.47 1pke s ALA 127 Ca 0.46 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1pke s ALA 127 Cb -0.09 -3.91 -0.05 0.00 0.00 0.00 0.00 23.12 19.07 1pke s ALA 127 CO 0.23 -2.30 -0.11 0.96 0.00 0.00 0.00 175.76 174.54 1pke s ILE 128 N 4.84 1.80 0.79 0.00 -4.36 -1.26 -1.53 121.20 121.47 1pke s ILE 128 Ca 0.53 -2.20 -0.06 0.00 -0.26 0.00 0.00 60.65 58.66 1pke s ILE 128 Cb -0.10 -2.27 0.14 0.00 1.25 0.00 0.00 42.46 41.48 1pke s ILE 128 CO 0.32 -0.43 1.10 0.00 0.24 0.00 0.00 174.94 176.16 1pke s ALA 129 N -2.92 3.17 -0.16 2.27 0.00 0.05 -4.87 121.76 119.30 1pke s ALA 129 Ca 0.27 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 1pke s ALA 129 Cb 0.01 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1pke s ALA 129 CO 0.10 -1.74 0.92 0.34 0.00 0.00 0.00 175.76 175.39 1pke s ASP 130 N -4.75 7.08 0.21 0.00 -1.08 -1.01 -4.96 116.67 112.16 1pke s ASP 130 Ca 0.68 1.33 -0.09 0.00 -0.52 0.00 0.00 52.55 53.95 1pke s ASP 130 Cb -0.06 -2.50 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 1pke s ASP 130 CO 0.47 -0.46 1.71 0.15 0.52 0.00 0.00 175.17 177.56 1pke h PHE 131 N 7.26 0.22 -0.70 -5.34 3.57 -1.96 -2.10 116.94 117.90 1pke h PHE 131 Ca -0.28 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1pke h PHE 131 Cb 1.13 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 1pke h PHE 131 CO 0.72 -0.03 0.36 -0.44 -2.23 0.00 0.00 178.31 176.69 1pke h ASP 132 N 0.27 0.90 -0.68 0.41 3.32 -1.99 -1.10 116.42 117.55 1pke h ASP 132 Ca 0.33 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1pke h ASP 132 Cb 0.49 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1pke h ASP 132 CO -0.41 0.76 0.39 0.24 -1.72 0.00 0.00 179.24 178.50 1pke h MET 133 N 0.97 0.96 -0.29 3.56 2.86 -1.80 0.11 114.93 121.30 1pke h MET 133 Ca 0.24 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1pke h MET 133 Cb 0.08 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1pke h MET 133 CO -0.03 0.70 0.02 0.28 1.06 0.00 0.00 176.91 178.93 1pke h VAL 134 N 0.97 1.25 -0.71 -2.22 2.07 -0.87 -2.21 116.25 114.53 1pke h VAL 134 Ca 0.25 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1pke h VAL 134 Cb 0.01 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1pke h VAL 134 CO -0.04 0.28 0.20 -0.09 0.02 0.00 0.00 177.57 177.94 1pke h ARG 135 N 0.31 1.11 -0.86 1.57 2.43 -0.73 -1.82 114.38 116.39 1pke h ARG 135 Ca 0.09 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1pke h ARG 135 Cb 0.39 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1pke h ARG 135 CO 0.01 0.97 0.56 -0.91 -1.51 0.00 0.00 179.97 179.09 1pke h ASN 136 N 1.05 0.95 -0.57 -3.80 2.35 -0.68 -1.13 115.58 113.75 1pke h ASN 136 Ca 0.23 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1pke h ASN 136 Cb 0.33 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1pke h ASN 136 CO -0.00 0.67 0.01 0.00 -1.65 0.00 0.00 177.43 176.45 1pke h ALA 137 N 1.34 0.77 -0.57 -0.83 0.00 -1.03 -0.80 119.26 118.13 1pke h ALA 137 Ca 0.33 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pke h ALA 137 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pke h ALA 137 CO -0.10 0.59 0.15 0.28 0.00 0.00 0.00 179.25 180.17 1pke h VAL 138 N 0.89 1.25 -0.30 0.00 2.07 -0.92 -1.67 116.25 117.57 1pke h VAL 138 Ca 0.16 -0.88 -0.17 0.00 0.82 0.00 0.00 66.70 66.64 1pke h VAL 138 Cb 0.53 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1pke h VAL 138 CO 0.03 0.32 -0.49 0.44 0.02 0.00 0.00 177.57 177.89 1pke h ASP 139 N 0.81 0.89 -0.65 0.57 3.45 -1.10 -2.11 116.42 118.29 1pke h ASP 139 Ca 0.18 -0.45 -0.02 0.00 0.43 0.00 0.00 57.03 57.17 1pke h ASP 139 Cb 0.34 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1pke h ASP 139 CO 0.00 1.23 0.31 0.00 -1.57 0.00 0.00 179.24 179.21 1pke h ALA 140 N 0.80 0.83 -0.29 3.45 0.00 -1.05 -1.93 119.26 121.08 1pke h ALA 140 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pke h ALA 140 Cb 1.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1pke h ALA 140 CO 0.11 0.39 0.15 0.00 0.00 0.00 0.00 179.25 179.90 1pke h ALA 141 N 1.14 0.37 -0.80 0.00 0.00 -1.22 -2.48 119.26 116.29 1pke h ALA 141 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pke h ALA 141 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1pke h ALA 141 CO -0.03 -0.08 0.51 -0.22 0.00 0.00 0.00 179.25 179.43 1pke h LYS 142 N 0.35 0.97 0.00 0.00 1.63 -1.14 0.41 116.57 118.78 1pke h LYS 142 Ca 0.10 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1pke h LYS 142 Cb 0.08 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1pke h LYS 142 CO -0.01 0.64 -0.08 0.00 -3.45 0.00 0.00 179.45 176.55 1pke h ALA 143 N 1.33 1.39 -0.60 5.00 0.00 -1.12 0.11 119.26 125.37 1pke h ALA 143 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pke h ALA 143 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pke h ALA 143 CO -0.11 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1pke n LEU 144 N -3.74 3.20 -2.48 0.00 4.77 -0.45 -4.93 117.00 113.37 1pke n LEU 144 Ca -0.02 -1.60 -0.17 0.00 -0.03 0.00 0.00 56.01 54.19 1pke n LEU 144 Cb 0.18 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1pke n LEU 144 CO 0.29 0.80 0.05 0.61 -1.33 0.00 0.00 177.39 177.82 1pke n GLY 145 N 1.45 -0.21 3.05 -0.72 0.00 0.37 -5.01 105.19 104.13 1pke n GLY 145 Ca 0.20 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.09 1.43 -0.37 -0.61 1.01 0.01 -5.00 121.20 114.58 1pke s ILE 146 Ca 0.29 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1pke s ILE 146 Cb -0.13 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1pke s ILE 146 CO 0.36 0.42 0.46 -0.62 0.00 0.00 0.00 174.94 175.57 1pke s ASP 147 N 0.88 6.25 0.01 3.58 3.68 -1.26 -3.19 116.67 126.61 1pke s ASP 147 Ca -0.09 -0.23 -0.08 0.00 2.13 0.00 0.00 52.55 54.28 1pke s ASP 147 Cb -0.15 -2.24 -0.05 0.00 -1.45 0.00 0.00 42.92 39.03 1pke s ASP 147 CO 0.01 -0.47 0.29 0.00 0.13 0.00 0.00 175.17 175.12 1pke s ALA 148 N 2.25 3.82 -0.11 3.66 0.00 -1.26 -4.72 121.76 125.40 1pke s ALA 148 Ca 0.15 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 1pke s ALA 148 Cb -0.16 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1pke s ALA 148 CO 0.13 0.62 0.42 1.03 0.00 0.00 0.00 175.76 177.96 1pke s ARG 149 N -1.65 4.26 -0.12 0.00 0.52 -0.82 -4.96 118.95 116.18 1pke s ARG 149 Ca 0.27 0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 55.83 1pke s ARG 149 Cb -0.13 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1pke s ARG 149 CO 0.15 0.25 -0.11 0.08 0.02 0.00 0.00 175.30 175.69 1pke s VAL 150 N 0.35 3.23 -0.97 3.52 1.01 -1.26 -0.67 120.40 125.61 1pke s VAL 150 Ca 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1pke s VAL 150 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1pke s VAL 150 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1pke n GLY 151 N 3.24 -0.73 3.83 4.51 0.00 -0.91 -4.97 105.19 110.16 1pke n GLY 151 Ca -0.18 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 6.88 0.33 1.61 0.02 -1.26 -1.30 114.94 117.23 1pke s ASN 152 Ca 0.00 1.11 0.09 0.00 -1.02 0.00 0.00 52.86 53.04 1pke s ASN 152 Cb 0.00 -2.30 -0.05 0.00 0.02 0.00 0.00 41.25 38.92 1pke s ASN 152 CO 0.00 0.18 -0.01 -0.22 0.02 0.00 0.00 177.10 177.06 1pke s LEU 153 N -1.63 2.94 -0.11 0.60 2.96 -0.54 -0.57 118.68 122.34 1pke s LEU 153 Ca 0.34 -1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1pke s LEU 153 Cb -0.16 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.24 1pke s LEU 153 CO 0.18 -0.21 -0.05 0.12 -1.32 0.00 0.00 176.35 175.07 1pke s PHE 154 N -2.52 1.29 -0.43 5.38 5.36 -0.70 0.16 117.98 126.52 1pke s PHE 154 Ca 0.34 -0.62 -0.17 0.00 -0.96 0.00 0.00 56.93 55.52 1pke s PHE 154 Cb -0.00 -1.13 0.03 0.00 -0.34 0.00 0.00 43.02 41.57 1pke s PHE 154 CO 0.19 -0.48 0.43 -1.12 -1.46 0.00 0.00 175.22 172.79 1pke s SER 155 N 1.77 6.19 0.22 6.13 0.01 0.52 -1.38 113.70 127.15 1pke s SER 155 Ca 0.05 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.42 1pke s SER 155 Cb -0.13 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1pke s SER 155 CO -0.07 -0.60 0.60 0.00 0.41 0.00 0.00 173.24 173.58 1pke s ALA 156 N 2.10 3.51 -0.13 1.44 0.00 0.08 -3.33 121.76 125.42 1pke s ALA 156 Ca 0.11 -0.12 0.19 0.00 0.00 0.00 0.00 51.96 52.14 1pke s ALA 156 Cb -0.18 -2.57 -0.20 0.00 0.00 0.00 0.00 23.12 20.18 1pke s ALA 156 CO 0.13 0.44 0.61 -0.25 0.00 0.00 0.00 175.76 176.68 1pke n ASP 157 N 0.23 0.44 -4.05 0.00 10.43 -1.26 -4.54 116.55 117.80 1pke n ASP 157 Ca -0.01 0.19 -0.32 0.00 2.57 0.00 0.00 54.79 57.22 1pke n ASP 157 Cb 0.52 0.90 -0.15 0.00 1.84 0.00 0.00 41.12 44.23 1pke n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1pke s LEU 158 N -5.30 3.43 0.31 0.64 1.43 -1.26 -4.97 118.68 112.97 1pke s LEU 158 Ca -0.05 -1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 51.61 1pke s LEU 158 Cb 0.10 -1.50 0.49 0.00 0.03 0.00 0.00 46.19 45.31 1pke s LEU 158 CO 0.84 -0.21 1.97 0.15 0.23 0.00 0.00 176.35 179.33 1pke h PHE 159 N 7.78 0.96 -3.61 0.29 3.04 -1.98 -3.25 116.94 120.18 1pke h PHE 159 Ca -0.18 0.02 -0.72 0.00 3.98 0.00 0.00 57.97 61.06 1pke h PHE 159 Cb 1.04 -0.32 -0.32 0.00 2.56 0.00 0.00 35.95 38.91 1pke h PHE 159 CO 0.61 0.62 -0.24 0.71 -2.02 0.00 0.00 178.31 177.99 1pke s TYR 160 N -5.83 3.51 0.18 0.41 2.02 -1.26 -5.07 117.35 111.31 1pke s TYR 160 Ca -0.11 -2.46 -0.28 0.00 -0.37 0.00 0.00 57.07 53.85 1pke s TYR 160 Cb 0.18 -3.39 -0.08 0.00 -0.40 0.00 0.00 41.96 38.26 1pke s TYR 160 CO 0.79 -0.89 0.86 0.45 -1.57 0.00 0.00 175.55 175.18 1pke s SER 161 N 1.23 7.50 0.54 2.29 0.15 -1.23 -4.96 113.70 119.21 1pke s SER 161 Ca 0.16 1.77 0.30 0.00 0.70 0.00 0.00 55.95 58.89 1pke s SER 161 Cb -0.18 -2.55 1.53 0.00 -1.71 0.00 0.00 66.02 63.11 1pke s SER 161 CO -0.05 0.15 2.08 1.55 1.20 0.00 0.00 173.24 178.17 1pke h PRO 162 N 4.47 0.00 -5.28 5.44 0.13 -1.98 -3.41 132.00 131.37 1pke h PRO 162 Ca -0.46 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 1pke h PRO 162 Cb 1.20 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 1pke h PRO 162 CO 0.68 0.09 -0.87 0.16 -0.23 0.00 0.00 178.00 177.84 1pke s ASP 163 N -5.97 3.18 0.00 1.44 -4.77 -1.26 -5.01 116.67 104.28 1pke s ASP 163 Ca -0.02 -0.56 0.24 0.00 -3.30 0.00 0.00 52.55 48.91 1pke s ASP 163 Cb 0.12 -1.44 0.31 0.00 -1.09 0.00 0.00 42.92 40.82 1pke s ASP 163 CO 0.56 0.13 1.28 0.61 0.70 0.00 0.00 175.17 178.45 1pke n GLY 164 N 3.74 -0.75 0.24 2.12 0.00 -1.26 -4.23 105.19 105.04 1pke n GLY 164 Ca -0.19 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1pke n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pke h GLU 165 N 0.84 0.00 -0.13 1.61 4.81 -1.98 -2.64 114.58 117.09 1pke h GLU 165 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1pke h GLU 165 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1pke h GLU 165 CO 0.00 0.18 0.19 1.98 -0.73 0.00 0.00 179.01 180.63 1pke h MET 166 N 0.00 0.00 -0.16 1.92 4.05 -2.01 -0.29 114.93 118.45 1pke h MET 166 Ca -0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1pke h MET 166 Cb 0.38 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1pke h MET 166 CO 0.02 0.00 -0.46 0.74 0.23 0.00 0.00 176.91 177.44 1pke h PHE 167 N 0.00 0.48 -0.45 1.39 -1.00 -1.78 -1.22 116.94 114.37 1pke h PHE 167 Ca 0.06 -0.15 -0.13 0.00 2.81 0.00 0.00 57.97 60.57 1pke h PHE 167 Cb 0.44 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1pke h PHE 167 CO 0.00 0.79 -0.21 -0.44 -1.61 0.00 0.00 178.31 176.84 1pke h ASP 168 N 0.32 0.93 -0.59 2.17 3.32 -1.22 -2.21 116.42 119.15 1pke h ASP 168 Ca 0.02 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1pke h ASP 168 Cb 0.94 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1pke h ASP 168 CO 0.08 1.11 0.01 0.58 -1.72 0.00 0.00 179.24 179.30 1pke h VAL 169 N 0.79 1.26 -0.68 -1.35 2.07 -1.34 -1.49 116.25 115.50 1pke h VAL 169 Ca 0.11 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1pke h VAL 169 Cb 0.77 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1pke h VAL 169 CO 0.06 0.41 0.13 0.24 0.02 0.00 0.00 177.57 178.43 1pke h MET 170 N 0.96 1.12 -0.59 1.57 2.86 -1.07 -2.50 114.93 117.27 1pke h MET 170 Ca 0.17 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 1pke h MET 170 Cb 0.54 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1pke h MET 170 CO 0.03 1.01 -0.02 1.49 1.06 0.00 0.00 176.91 180.48 1pke h GLU 171 N 1.05 1.06 -0.16 1.72 4.81 -1.22 -1.49 114.58 120.34 1pke h GLU 171 Ca 0.21 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1pke h GLU 171 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1pke h GLU 171 CO 0.01 1.05 -0.06 -0.22 -0.73 0.00 0.00 179.01 179.06 1pke h LYS 172 N 0.95 0.24 -0.65 1.92 3.64 -1.03 -2.78 116.57 118.87 1pke h LYS 172 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1pke h LYS 172 Cb 0.59 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1pke h LYS 172 CO 0.04 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 1pke n TYR 173 N -4.34 1.60 -1.08 1.91 4.01 -0.97 -4.97 117.16 113.34 1pke n TYR 173 Ca -0.01 -0.62 -0.03 0.00 -0.16 0.00 0.00 57.90 57.09 1pke n TYR 173 Cb 0.22 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 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 1.05 0.59 3.69 2.72 0.00 -1.05 -4.99 105.19 107.19 1pke n GLY 174 Ca 0.26 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 1pke n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pke n ILE 175 N -2.83 0.12 0.13 -0.61 -0.00 -0.58 -4.57 119.36 111.01 1pke n ILE 175 Ca -0.03 -0.02 -0.24 0.00 -0.00 0.00 0.00 62.75 62.46 1pke n ILE 175 Cb 0.13 -1.79 -0.16 0.00 -0.00 0.00 0.00 39.64 37.83 1pke n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1pke h LEU 176 N 6.90 0.78 -7.38 1.39 3.38 -1.18 -3.42 115.31 115.78 1pke h LEU 176 Ca -0.45 -0.89 -0.07 0.00 0.09 0.00 0.00 57.88 56.56 1pke h LEU 176 Cb 1.24 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1pke h LEU 176 CO 0.92 1.71 -0.09 -0.83 0.09 0.00 0.00 178.44 180.25 1pke s GLY 177 N -4.72 -0.28 -0.16 0.83 0.00 -1.25 -4.45 107.32 97.30 1pke s GLY 177 Ca -0.10 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 1pke s GLY 177 CO 0.93 -0.11 -0.09 0.14 0.00 0.00 0.00 173.10 173.97 1pke s VAL 178 N -3.07 3.28 0.00 1.40 1.01 0.10 -1.71 120.40 121.40 1pke s VAL 178 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1pke s VAL 178 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1pke s VAL 178 CO -0.07 0.50 0.00 -1.84 0.00 0.00 0.00 175.10 173.69 1pke n GLU 179 N 3.81 0.00 -1.26 2.72 -0.00 -0.48 -1.47 120.64 123.96 1pke n GLU 179 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.02 1pke n GLU 179 Cb 0.52 0.00 0.03 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 0.15 0.00 3.44 2.81 -1.26 -0.74 117.12 121.51 1pke n MET 180 Ca 0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 1pke n MET 180 Cb 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.26 0.00 -0.21 0.03 4.71 -1.26 -2.19 120.64 121.98 1pke n GLU 181 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.26 1pke n GLU 181 Cb 1.04 -0.19 0.10 0.00 -1.01 0.00 0.00 31.44 31.38 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 -2.05 0.17 0.21 0.62 0.00 -1.26 0.80 120.51 119.00 1pke n ALA 182 Ca 0.00 0.66 0.06 0.00 0.00 0.00 0.00 53.44 54.16 1pke n ALA 182 Cb 0.00 -0.41 0.47 0.00 0.00 0.00 0.00 19.45 19.51 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 1.20 1.30 -0.07 0.00 0.00 -1.85 -0.58 119.26 119.26 1pke h ALA 183 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1pke h ALA 183 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pke h ALA 183 CO -0.61 0.35 -0.20 0.78 0.00 0.00 0.00 179.25 179.57 1pke h GLY 184 N 1.19 0.29 0.98 0.00 0.00 0.04 -2.29 103.07 103.27 1pke h GLY 184 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1pke h GLY 184 CO 0.04 0.33 0.17 -2.22 0.00 0.00 0.00 176.54 174.86 1pke h ILE 185 N -0.24 1.23 -0.12 2.60 2.04 -1.26 -2.08 117.51 119.68 1pke h ILE 185 Ca -0.01 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1pke h ILE 185 Cb 0.82 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1pke h ILE 185 CO 0.04 0.28 -0.23 1.88 0.00 0.00 0.00 178.15 180.13 1pke h TYR 186 N 0.72 0.22 -0.12 1.37 0.99 -1.16 -0.61 116.97 118.37 1pke h TYR 186 Ca 0.17 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 1pke h TYR 186 Cb 0.27 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 37.93 1pke h TYR 186 CO 0.01 0.43 -0.05 0.78 -0.00 0.00 0.00 178.16 179.33 1pke h GLY 187 N 0.90 0.27 1.01 3.88 0.00 -1.09 -2.61 103.07 105.42 1pke h GLY 187 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1pke h GLY 187 CO 0.04 0.21 0.48 -2.08 0.00 0.00 0.00 176.54 175.19 1pke h VAL 188 N -0.10 1.21 -0.57 4.60 2.07 -1.09 -1.40 116.25 120.98 1pke h VAL 188 Ca 0.03 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1pke h VAL 188 Cb 0.50 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1pke h VAL 188 CO 0.02 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.15 1pke h ALA 189 N 1.26 0.73 -0.01 1.67 0.00 -1.08 -1.60 119.26 120.23 1pke h ALA 189 Ca 0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1pke h ALA 189 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1pke h ALA 189 CO -0.05 0.04 -0.44 0.00 0.00 0.00 0.00 179.25 178.80 1pke h ALA 190 N 1.26 1.25 -0.09 0.00 0.00 -1.10 -0.56 119.26 120.02 1pke h ALA 190 Ca 0.23 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1pke h ALA 190 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pke h ALA 190 CO -0.11 0.56 -0.80 1.49 0.00 0.00 0.00 179.25 180.39 1pke h GLU 191 N 0.02 0.56 -0.21 0.00 4.81 -0.64 -3.32 114.58 115.80 1pke h GLU 191 Ca -0.00 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1pke h GLU 191 Cb 0.79 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1pke h GLU 191 CO 0.06 1.11 -0.00 1.19 -0.73 0.00 0.00 179.01 180.64 1pke n PHE 192 N -3.86 0.76 -3.43 0.92 3.01 -0.66 -5.02 117.46 109.19 1pke n PHE 192 Ca -0.06 -0.91 -0.22 0.00 1.01 0.00 0.00 57.45 57.27 1pke n PHE 192 Cb 0.75 -0.29 0.06 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.70 -1.10 2.96 1.37 0.00 -0.52 -4.98 105.19 102.22 1pke n GLY 193 Ca 0.21 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.59 0.58 -2.44 4.61 0.00 -0.34 -5.05 120.51 114.29 1pke n ALA 194 Ca -0.08 -1.81 -0.31 0.00 0.00 0.00 0.00 53.44 51.24 1pke n ALA 194 Cb 0.60 1.34 -0.13 0.00 0.00 0.00 0.00 19.45 21.26 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 -3.32 2.16 0.06 0.00 1.02 -0.57 -4.55 119.74 114.55 1pke s LYS 195 Ca 0.27 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 1pke s LYS 195 Cb 0.01 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1pke s LYS 195 CO 0.19 0.56 0.07 0.00 -0.92 0.00 0.00 175.35 175.25 1pke s ALA 196 N -0.84 0.15 -0.18 5.17 0.00 -1.26 -0.70 121.76 124.10 1pke s ALA 196 Ca 0.13 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1pke s ALA 196 Cb -0.10 0.36 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1pke s ALA 196 CO 0.03 -0.42 0.63 -1.17 0.00 0.00 0.00 175.76 174.84 1pke s LEU 197 N -2.81 -0.44 -0.14 0.00 2.96 -0.50 -2.40 118.68 115.35 1pke s LEU 197 Ca 0.05 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1pke s LEU 197 Cb 0.06 2.24 0.01 0.00 0.50 0.00 0.00 46.19 49.01 1pke s LEU 197 CO -0.10 -0.34 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.51 1pke s THR 198 N -0.16 1.85 -0.08 3.68 2.01 -1.26 -0.79 115.64 120.90 1pke s THR 198 Ca -0.04 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1pke s THR 198 Cb -0.03 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1pke s THR 198 CO 0.03 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.64 1pke s ILE 199 N 1.02 2.50 0.02 1.82 1.01 -0.39 -1.87 121.20 125.30 1pke s ILE 199 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1pke s ILE 199 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1pke s ILE 199 CO -0.05 0.56 -0.01 0.00 0.00 0.00 0.00 174.94 175.45 1pke s THR 201 N -1.62 3.44 -0.32 0.00 -4.23 -0.76 0.57 115.64 112.72 1pke s THR 201 Ca -0.14 -0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1pke s THR 201 Cb -0.08 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1pke s THR 201 CO -0.01 0.58 1.76 -0.69 -0.54 0.00 0.00 174.62 175.72 1pke s VAL 202 N -0.57 3.52 -0.86 2.29 1.01 0.43 -2.19 120.40 124.03 1pke s VAL 202 Ca 0.08 0.53 0.22 0.00 0.00 0.00 0.00 61.98 62.81 1pke s VAL 202 Cb -0.12 -3.68 -0.19 0.00 0.00 0.00 0.00 36.38 32.39 1pke s VAL 202 CO 0.02 -0.43 0.95 -1.54 0.00 0.00 0.00 175.10 174.10 1pke n SER 203 N 10.02 0.78 -3.52 3.32 3.41 -0.06 -0.75 113.62 126.82 1pke n SER 203 Ca 0.22 -0.70 -0.17 0.00 -0.26 0.00 0.00 58.87 57.96 1pke n SER 203 Cb 0.47 0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 65.32 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 -3.26 -0.64 -0.45 4.04 -4.77 -1.21 -4.98 116.67 105.41 1pke s ASP 204 Ca 0.06 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 1pke s ASP 204 Cb 0.16 0.53 0.12 0.00 -1.09 0.00 0.00 42.92 42.63 1pke s ASP 204 CO 0.84 -0.61 0.21 -2.28 0.70 0.00 0.00 175.17 174.04 1pke s HIS 205 N -1.28 3.55 -0.00 2.11 2.46 -1.26 -1.10 115.29 119.76 1pke s HIS 205 Ca -0.10 -2.75 -0.37 0.00 0.47 0.00 0.00 55.06 52.30 1pke s HIS 205 Cb -0.00 -3.08 -0.16 0.00 -0.13 0.00 0.00 32.58 29.21 1pke s HIS 205 CO 0.09 -0.91 1.47 -0.89 -2.47 0.00 0.00 174.74 172.03 1pke n ILE 206 N 4.07 0.09 -1.85 0.89 5.41 -0.73 -3.50 119.36 123.73 1pke n ILE 206 Ca 0.02 -0.02 -0.00 0.00 1.00 0.00 0.00 62.75 63.76 1pke n ILE 206 Cb 0.39 -0.99 -0.00 0.00 -0.71 0.00 0.00 39.64 38.33 1pke n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pke n ARG 207 N 3.40 -3.21 -2.12 0.38 3.00 -1.26 -4.70 116.66 112.14 1pke n ARG 207 Ca 0.20 2.53 -0.01 0.00 -0.00 0.00 0.00 57.85 60.57 1pke n ARG 207 Cb 0.18 -3.14 0.00 0.00 0.00 0.00 0.00 32.46 29.50 1pke n ARG 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1pke n THR 208 N 1.13 -5.26 -2.70 5.15 -1.04 -1.25 -5.04 114.28 105.27 1pke n THR 208 Ca -0.01 0.10 -0.25 0.00 -2.04 0.00 0.00 64.05 61.85 1pke n THR 208 Cb 0.02 -5.13 0.02 0.00 -1.82 0.00 0.00 70.33 63.42 1pke n THR 208 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1pke s HIS 209 N -2.44 3.32 0.00 -1.42 -3.43 -1.23 -4.74 115.29 105.35 1pke s HIS 209 Ca 0.04 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 1pke s HIS 209 Cb -0.01 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.68 1pke s HIS 209 CO 0.32 -0.50 0.00 -1.91 -2.00 0.00 0.00 174.74 170.65 1pke n GLU 210 N -2.30 3.93 -3.80 -0.38 2.13 -1.26 -5.04 120.64 113.92 1pke n GLU 210 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.72 1pke n GLU 210 Cb 0.57 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.16 1pke n GLU 210 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1pke s GLN 211 N 2.09 0.22 0.02 5.31 2.00 -1.26 -5.05 119.66 123.00 1pke s GLN 211 Ca 0.00 0.29 0.03 0.00 -2.00 0.00 0.00 55.36 53.68 1pke s GLN 211 Cb 0.00 0.09 -0.01 0.00 0.80 0.00 0.00 33.01 33.89 1pke s GLN 211 CO 0.00 -0.04 -0.10 0.95 -0.50 0.00 0.00 175.29 175.60 1pke s THR 212 N 0.19 0.79 0.43 -0.34 -4.23 -1.26 -5.15 115.64 106.07 1pke s THR 212 Ca -0.01 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1pke s THR 212 Cb -0.02 -0.72 -0.08 0.00 1.34 0.00 0.00 72.50 73.02 1pke s THR 212 CO -0.00 0.01 0.85 0.42 -0.54 0.00 0.00 174.62 175.36 1pke s THR 213 N -0.65 4.65 0.51 3.99 -4.23 -1.26 -4.96 115.64 113.70 1pke s THR 213 Ca 0.00 0.95 0.22 0.00 -1.18 0.00 0.00 61.69 61.69 1pke s THR 213 Cb -0.06 -3.69 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1pke s THR 213 CO 0.00 -0.49 2.14 0.00 -0.54 0.00 0.00 174.62 175.73 1pke h ALA 214 N 1.40 1.66 -0.23 3.99 0.00 -2.01 -1.83 119.26 122.24 1pke h ALA 214 Ca -0.47 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1pke h ALA 214 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pke h ALA 214 CO 0.63 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 179.64 1pke h ALA 215 N 1.94 0.35 -0.58 0.00 0.00 -2.00 -2.83 119.26 116.13 1pke h ALA 215 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1pke h ALA 215 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1pke h ALA 215 CO 0.01 0.38 0.37 0.93 0.00 0.00 0.00 179.25 180.93 1pke h GLU 216 N 0.32 0.72 -0.76 0.00 5.08 -1.74 -2.47 114.58 115.73 1pke h GLU 216 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pke h GLU 216 Cb 0.88 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1pke h GLU 216 CO 0.07 0.48 0.45 0.00 -1.00 0.00 0.00 179.01 179.01 1pke h ARG 217 N 0.74 1.04 0.00 2.33 2.47 -1.36 -1.78 114.38 117.81 1pke h ARG 217 Ca 0.23 -0.10 -0.16 0.00 -1.26 0.00 0.00 59.98 58.69 1pke h ARG 217 Cb -0.03 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 1pke h ARG 217 CO -0.08 0.74 -0.75 1.96 0.56 0.00 0.00 179.97 182.40 1pke h GLN 218 N 1.05 0.00 -0.28 0.04 1.08 -1.30 -1.49 115.11 114.21 1pke h GLN 218 Ca 0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 1pke h GLN 218 Cb -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1pke h GLN 218 CO -0.05 0.75 0.06 1.15 -0.95 0.00 0.00 178.83 179.79 1pke h THR 219 N 0.00 1.22 -0.37 -0.54 2.02 -0.99 -0.51 112.91 113.74 1pke h THR 219 Ca -0.01 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1pke h THR 219 Cb 1.34 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1pke h THR 219 CO 0.10 0.24 -0.13 0.74 0.37 0.00 0.00 175.52 176.83 1pke h THR 220 N 0.28 1.28 -0.77 3.16 2.02 -1.30 -1.95 112.91 115.63 1pke h THR 220 Ca 0.09 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1pke h THR 220 Cb 0.30 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1pke h THR 220 CO 0.00 0.41 0.41 0.15 0.37 0.00 0.00 175.52 176.86 1pke h PHE 221 N 0.55 1.06 -0.55 3.16 3.04 -1.18 -1.75 116.94 121.27 1pke h PHE 221 Ca 0.09 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 1pke h PHE 221 Cb 0.66 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1pke h PHE 221 CO 0.05 0.75 0.03 -0.91 -2.02 0.00 0.00 178.31 176.21 1pke h ASN 222 N 1.07 0.88 -0.67 0.41 -0.26 -0.98 -2.67 115.58 113.36 1pke h ASN 222 Ca 0.27 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1pke h ASN 222 Cb 0.05 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 1pke h ASN 222 CO -0.04 0.93 0.34 0.44 -1.06 0.00 0.00 177.43 178.03 1pke h ASP 223 N 0.85 0.86 -0.67 5.81 3.45 -0.81 -1.11 116.42 124.79 1pke h ASP 223 Ca 0.16 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1pke h ASP 223 Cb 0.47 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 1pke h ASP 223 CO 0.02 0.73 0.42 -0.03 -1.57 0.00 0.00 179.24 178.81 1pke h MET 224 N 0.92 0.91 -0.32 3.56 4.05 -1.12 0.64 114.93 123.56 1pke h MET 224 Ca 0.23 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.52 1pke h MET 224 Cb 0.09 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1pke h MET 224 CO -0.03 0.63 -0.03 0.82 0.23 0.00 0.00 176.91 178.53 1pke h ILE 225 N 0.92 1.27 -0.87 1.77 1.08 -1.28 0.12 117.51 120.52 1pke h ILE 225 Ca 0.24 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 1pke h ILE 225 Cb -0.05 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1pke h ILE 225 CO -0.05 0.33 0.54 0.50 -0.69 0.00 0.00 178.15 178.78 1pke h LYS 226 N 0.37 0.95 -0.20 2.37 1.63 -0.90 0.28 116.57 121.07 1pke h LYS 226 Ca 0.09 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1pke h LYS 226 Cb 0.49 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1pke h LYS 226 CO 0.02 0.63 0.02 0.82 -3.45 0.00 0.00 179.45 177.49 1pke h ILE 227 N 0.98 1.23 -0.32 2.00 2.04 -0.52 -1.50 117.51 121.41 1pke h ILE 227 Ca 0.38 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1pke h ILE 227 Cb 0.18 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1pke h ILE 227 CO -0.18 0.24 0.21 0.00 0.00 0.00 0.00 178.15 178.42 1pke h ALA 228 N 0.82 0.40 -0.34 1.87 0.00 -0.05 -2.09 119.26 119.87 1pke h ALA 228 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pke h ALA 228 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pke h ALA 228 CO 0.01 -0.14 0.13 -0.07 0.00 0.00 0.00 179.25 179.18 1pke h LEU 229 N 0.42 0.47 -1.45 0.00 3.38 -0.40 -2.89 115.31 114.84 1pke h LEU 229 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1pke h LEU 229 Cb -0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pke h LEU 229 CO -0.03 0.52 -0.24 -0.33 0.09 0.00 0.00 178.44 178.45 1pke h GLU 230 N 0.40 0.00 -0.04 1.13 4.39 -1.24 -2.78 114.58 116.44 1pke h GLU 230 Ca 0.11 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1pke h GLU 230 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1pke h GLU 230 CO -0.01 0.24 -0.44 0.66 -1.16 0.00 0.00 179.01 178.30 1pke h SER 231 N 0.00 0.10 -0.42 1.42 4.64 -1.16 -2.58 113.55 115.55 1pke h SER 231 Ca -0.00 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1pke h SER 231 Cb 0.58 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1pke h SER 231 CO 0.03 0.52 -0.05 0.58 -0.87 0.00 0.00 176.83 177.04 1pke h VAL 232 N 0.08 1.27 -0.46 0.95 2.07 -1.41 -1.47 116.25 117.28 1pke h VAL 232 Ca 0.00 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1pke h VAL 232 Cb 0.80 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1pke h VAL 232 CO 0.06 0.38 -0.13 -0.07 0.02 0.00 0.00 177.57 177.83 1pke h LEU 233 N 0.60 0.85 -0.83 2.57 3.38 -1.55 -1.42 115.31 118.90 1pke h LEU 233 Ca 0.11 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1pke h LEU 233 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1pke h LEU 233 CO 0.03 0.98 0.23 -0.07 0.09 0.00 0.00 178.44 179.70 1pke h LEU 234 N 0.76 1.02 -1.27 1.67 4.07 -1.35 -2.02 115.31 118.19 1pke h LEU 234 Ca 0.12 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1pke h LEU 234 Cb 0.64 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1pke h LEU 234 CO 0.04 0.95 -0.32 1.23 -1.08 0.00 0.00 178.44 179.26 1pke h GLY 235 N 1.10 0.00 1.39 0.83 0.00 -0.87 -2.36 103.07 103.17 1pke h GLY 235 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1pke h GLY 235 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1pke n ASP 236 N -3.75 0.00 -0.83 0.19 10.43 -0.57 -5.09 116.55 116.92 1pke n ASP 236 Ca -0.01 -0.15 0.10 0.00 2.57 0.00 0.00 54.79 57.30 1pke n ASP 236 Cb 0.41 -0.20 0.09 0.00 1.84 0.00 0.00 41.12 43.26 1pke n ASP 236 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42