#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frm s GLU 19 N 0.00 0.71 0.34 0.38 0.41 -1.26 -5.12 118.70 114.17 2frm s GLU 19 Ca 0.00 -0.64 -0.29 0.00 -0.41 0.00 0.00 54.97 53.63 2frm s GLU 19 Cb 0.00 -0.65 -0.11 0.00 -1.78 0.00 0.00 34.13 31.59 2frm s GLU 19 CO 0.00 0.16 1.49 1.03 -0.49 0.00 0.00 175.26 177.45 2frm s ARG 20 N -1.05 4.15 0.63 1.61 0.52 -1.26 -4.93 118.95 118.61 2frm s ARG 20 Ca -0.02 2.52 -0.19 0.00 -0.52 0.00 0.00 55.73 57.53 2frm s ARG 20 Cb -0.07 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 2frm s ARG 20 CO 0.01 -0.52 1.31 1.03 0.02 0.00 0.00 175.30 177.15 2frm s ARG 21 N -1.53 2.68 -0.04 3.54 1.81 -1.26 -4.83 118.95 119.31 2frm s ARG 21 Ca 0.56 2.10 0.01 0.00 -1.72 0.00 0.00 55.73 56.67 2frm s ARG 21 Cb -0.46 -1.93 0.02 0.00 -0.45 0.00 0.00 34.95 32.13 2frm s ARG 21 CO 0.57 -1.51 -0.05 0.21 -0.68 0.00 0.00 175.30 173.85 2frm s LYS 22 N -3.28 0.83 -0.10 3.54 2.20 -1.26 -0.76 119.74 120.91 2frm s LYS 22 Ca 0.80 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 56.34 2frm s LYS 22 Cb -0.38 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 2frm s LYS 22 CO 0.41 -0.08 -0.23 0.42 -0.36 0.00 0.00 175.35 175.51 2frm s ILE 23 N 0.91 2.01 -0.20 5.43 1.01 -0.43 -0.50 121.20 129.44 2frm s ILE 23 Ca -0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 2frm s ILE 23 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2frm s ILE 23 CO 0.00 0.55 0.07 0.00 0.00 0.00 0.00 174.94 175.56 2frm s ALA 24 N 0.38 3.35 -0.36 9.38 0.00 0.63 -1.99 121.76 133.15 2frm s ALA 24 Ca -0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 2frm s ALA 24 Cb -0.18 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.02 2frm s ALA 24 CO 0.08 -0.02 0.14 0.08 0.00 0.00 0.00 175.76 176.03 2frm s VAL 25 N 0.75 3.56 -0.50 0.00 1.01 -0.31 -0.21 120.40 124.70 2frm s VAL 25 Ca 0.04 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 2frm s VAL 25 Cb -0.13 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2frm s VAL 25 CO 0.02 -0.35 0.81 -0.63 0.00 0.00 0.00 175.10 174.95 2frm s ILE 26 N 1.31 4.59 0.00 2.22 -1.09 0.15 -0.59 121.20 127.79 2frm s ILE 26 Ca 0.01 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2frm s ILE 26 Cb -0.21 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 2frm s ILE 26 CO -0.00 -0.89 0.00 0.61 -1.23 0.00 0.00 174.94 173.43 2frm n GLY 27 N 5.08 1.72 2.07 6.18 0.00 0.13 -0.21 105.19 120.16 2frm n GLY 27 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 2frm n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2frm n SER 28 N 0.00 6.90 -2.47 1.61 3.41 -1.21 -3.88 113.62 117.97 2frm n SER 28 Ca 0.00 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 2frm n SER 28 Cb 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2frm n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2frm n GLY 29 N -0.06 -0.59 0.19 5.00 0.00 -1.26 -4.51 105.19 103.96 2frm n GLY 29 Ca 0.42 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 2frm n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2frm h GLN 30 N 0.00 -0.03 -0.27 1.61 1.08 -1.99 -0.14 115.11 115.37 2frm h GLN 30 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2frm h GLN 30 Cb 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2frm h GLN 30 CO 0.00 -0.02 -0.05 0.82 -0.95 0.00 0.00 178.83 178.63 2frm h ILE 31 N -0.03 1.28 -0.79 2.54 2.04 -1.92 -2.95 117.51 117.69 2frm h ILE 31 Ca 0.20 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2frm h ILE 31 Cb 0.33 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2frm h ILE 31 CO -0.43 0.33 0.36 1.23 0.00 0.00 0.00 178.15 179.64 2frm h GLY 32 N 0.28 1.23 1.53 5.37 0.00 -1.59 -2.39 103.07 107.49 2frm h GLY 32 Ca 0.07 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 2frm h GLY 32 CO 0.02 0.59 -0.02 -1.33 0.00 0.00 0.00 176.54 175.80 2frm h GLY 33 N 1.12 0.63 2.00 4.60 0.00 -1.03 -2.34 103.07 108.05 2frm h GLY 33 Ca 0.27 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2frm h GLY 33 CO -0.03 0.37 -0.62 3.43 0.00 0.00 0.00 176.54 179.68 2frm h ASN 35 N 0.55 0.00 -0.24 0.19 2.35 -1.34 -2.63 115.58 114.46 2frm h ASN 35 Ca 0.11 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2frm h ASN 35 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2frm h ASN 35 CO 0.02 0.62 -0.08 0.40 -1.65 0.00 0.00 177.43 176.74 2frm h ILE 36 N 0.00 1.29 -0.57 2.81 2.04 -1.17 -1.03 117.51 120.88 2frm h ILE 36 Ca -0.01 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.75 2frm h ILE 36 Cb 1.43 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2frm h ILE 36 CO 0.08 0.35 0.35 0.00 0.00 0.00 0.00 178.15 178.93 2frm h ALA 37 N 0.74 0.74 0.40 1.87 0.00 -1.43 0.77 119.26 122.36 2frm h ALA 37 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2frm h ALA 37 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2frm h ALA 37 CO 0.03 0.09 -0.29 -0.92 0.00 0.00 0.00 179.25 178.15 2frm h TYR 38 N 0.70 -0.77 -0.43 0.00 3.20 -1.31 -0.70 116.97 117.66 2frm h TYR 38 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2frm h TYR 38 Cb 0.01 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2frm h TYR 38 CO -0.06 -0.44 0.23 0.82 -1.64 0.00 0.00 178.16 177.08 2frm h ILE 39 N -0.69 1.16 -0.58 1.81 1.08 -1.00 0.17 117.51 119.46 2frm h ILE 39 Ca -0.04 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2frm h ILE 39 Cb 0.58 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2frm h ILE 39 CO 0.01 0.17 0.38 0.58 -0.69 0.00 0.00 178.15 178.60 2frm h VAL 40 N 0.56 1.15 -0.14 1.67 2.07 -0.77 -1.53 116.25 119.27 2frm h VAL 40 Ca 0.15 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2frm h VAL 40 Cb 0.07 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2frm h VAL 40 CO -0.02 0.15 -0.04 1.23 0.02 0.00 0.00 177.57 178.91 2frm h GLY 41 N 0.78 0.30 0.18 2.17 0.00 -0.88 -1.61 103.07 104.00 2frm h GLY 41 Ca 0.21 -0.25 0.14 0.00 0.00 0.00 0.00 47.33 47.43 2frm h GLY 41 CO -0.04 0.23 0.31 1.70 0.00 0.00 0.00 176.54 178.73 2frm h LYS 42 N -0.04 0.44 -0.00 4.80 3.64 -0.40 0.36 116.57 125.38 2frm h LYS 42 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2frm h LYS 42 Cb 0.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2frm h LYS 42 CO 0.01 0.29 -0.14 -0.25 -2.27 0.00 0.00 179.45 177.10 2frm n ASP 43 N -4.99 0.54 -3.76 4.20 8.00 -0.60 -4.77 116.55 115.17 2frm n ASP 43 Ca 0.14 -0.58 -0.27 0.00 0.71 0.00 0.00 54.79 54.79 2frm n ASP 43 Cb 0.40 -0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.50 2frm n ASP 43 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2frm n ASN 44 N -0.94 -4.86 0.16 -2.24 5.15 0.12 -4.87 115.26 107.78 2frm n ASN 44 Ca 0.14 -0.69 0.03 0.00 -0.60 0.00 0.00 54.58 53.45 2frm n ASN 44 Cb 0.29 -4.36 0.18 0.00 -0.53 0.00 0.00 39.78 35.36 2frm n ASN 44 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2frm h LEU 45 N -2.27 0.00 0.00 1.20 5.85 -1.61 -3.49 115.31 114.99 2frm h LEU 45 Ca -0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2frm h LEU 45 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2frm h LEU 45 CO 0.62 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.20 2frm n ALA 46 N -2.28 0.00 -2.01 1.25 0.00 -1.26 -4.75 120.51 111.47 2frm n ALA 46 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2frm n ALA 46 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2frm n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2frm s ASP 47 N 0.00 6.45 -0.07 0.00 1.01 0.06 -4.61 116.67 119.51 2frm s ASP 47 Ca 0.00 1.32 0.03 0.00 0.71 0.00 0.00 52.55 54.60 2frm s ASP 47 Cb 0.00 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2frm s ASP 47 CO 0.00 -0.60 -0.14 -0.69 0.21 0.00 0.00 175.17 173.95 2frm s VAL 49 N -2.71 1.27 -0.25 -1.27 1.01 0.15 -1.31 120.40 117.30 2frm s VAL 49 Ca 0.54 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2frm s VAL 49 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2frm s VAL 49 CO 0.39 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 175.14 2frm s VAL 50 N 0.55 3.10 -0.47 2.92 1.01 -0.84 0.10 120.40 126.77 2frm s VAL 50 Ca -0.14 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2frm s VAL 50 Cb -0.15 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.71 2frm s VAL 50 CO 0.04 0.22 0.58 -0.76 0.00 0.00 0.00 175.10 175.18 2frm s LEU 51 N 1.37 4.86 -0.05 3.92 1.43 0.24 -1.16 118.68 129.30 2frm s LEU 51 Ca 0.01 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2frm s LEU 51 Cb -0.16 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2frm s LEU 51 CO -0.03 -0.79 0.20 0.12 0.23 0.00 0.00 176.35 176.07 2frm s PHE 52 N 2.54 3.58 -0.05 0.29 5.36 0.24 -0.59 117.98 129.36 2frm s PHE 52 Ca 0.16 0.50 -0.31 0.00 -0.96 0.00 0.00 56.93 56.32 2frm s PHE 52 Cb -0.18 -1.93 0.11 0.00 -0.34 0.00 0.00 43.02 40.68 2frm s PHE 52 CO 0.14 0.67 1.02 0.34 -1.46 0.00 0.00 175.22 175.93 2frm s ASP 53 N -1.51 -0.26 -0.07 6.13 2.15 -0.88 0.17 116.67 122.42 2frm s ASP 53 Ca 0.23 -0.04 -0.09 0.00 0.43 0.00 0.00 52.55 53.07 2frm s ASP 53 Cb -0.13 0.30 -0.29 0.00 -0.30 0.00 0.00 42.92 42.51 2frm s ASP 53 CO 0.12 -0.50 0.59 0.40 -0.17 0.00 0.00 175.17 175.61 2frm h ILE 54 N 2.00 0.85 -3.07 4.11 5.03 -1.91 -3.35 117.51 121.16 2frm h ILE 54 Ca -0.19 -2.48 -0.58 0.00 -0.12 0.00 0.00 64.86 61.49 2frm h ILE 54 Cb 1.21 2.68 0.13 0.00 -3.03 0.00 0.00 36.82 37.81 2frm h ILE 54 CO 0.28 0.86 0.20 0.00 -0.68 0.00 0.00 178.15 178.81 2frm n ALA 55 N -2.89 0.29 -2.09 1.87 0.00 -1.26 -4.95 120.51 111.47 2frm n ALA 55 Ca -0.26 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 2frm n ALA 55 Cb 1.07 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 2frm n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2frm s GLU 56 N -2.00 4.41 0.00 0.00 2.12 -1.26 -4.32 118.70 117.64 2frm s GLU 56 Ca 0.63 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.94 2frm s GLU 56 Cb -0.56 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2frm s GLU 56 CO 0.57 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 176.28 2frm n GLY 57 N 1.54 0.94 0.28 -1.50 0.00 -1.26 -4.81 105.19 100.38 2frm n GLY 57 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2frm n GLY 57 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2frm h ILE 58 N 0.00 0.00 -0.66 -0.61 1.08 -1.98 0.72 117.51 116.06 2frm h ILE 58 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2frm h ILE 58 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 2frm h ILE 58 CO 0.00 0.00 0.40 1.55 -0.69 0.00 0.00 178.15 179.41 2frm h PRO 59 N -0.21 0.89 0.00 2.37 0.13 -1.87 -1.78 132.00 131.53 2frm h PRO 59 Ca 0.05 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2frm h PRO 59 Cb 0.36 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2frm h PRO 59 CO -0.40 0.64 0.00 -0.56 -0.23 0.00 0.00 178.00 177.44 2frm h GLN 60 N 0.90 0.00 0.17 0.86 -0.00 -1.71 0.14 115.11 115.46 2frm h GLN 60 Ca 0.24 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.62 2frm h GLN 60 Cb -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.47 2frm h GLN 60 CO -0.04 0.00 -1.25 0.78 -0.00 0.00 0.00 178.83 178.32 2frm h GLY 61 N 2.44 0.41 1.13 0.06 0.00 0.12 -3.00 103.07 104.24 2frm h GLY 61 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 47.33 46.07 2frm h GLY 61 CO 0.00 0.92 -0.73 0.50 0.00 0.00 0.00 176.54 177.23 2frm h LYS 62 N -0.17 0.76 -0.39 4.80 1.57 -1.14 -2.40 116.57 119.59 2frm h LYS 62 Ca -0.24 -0.62 0.02 0.00 -1.87 0.00 0.00 60.65 57.94 2frm h LYS 62 Cb 1.86 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 2frm h LYS 62 CO 0.16 1.23 0.23 0.00 -0.57 0.00 0.00 179.45 180.50 2frm h ALA 63 N 0.54 0.50 0.12 3.86 0.00 -0.86 0.10 119.26 123.51 2frm h ALA 63 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2frm h ALA 63 Cb 1.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2frm h ALA 63 CO 0.15 -0.11 -0.09 -0.07 0.00 0.00 0.00 179.25 179.13 2frm h LEU 64 N 0.46 -0.24 0.01 0.00 4.07 -1.53 0.33 115.31 118.41 2frm h LEU 64 Ca 0.16 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.17 2frm h LEU 64 Cb 0.01 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 2frm h LEU 64 CO -0.08 -0.15 -0.23 -0.78 -1.08 0.00 0.00 178.44 176.12 2frm h ASP 65 N -0.22 -0.68 -0.88 -0.43 3.58 -1.09 -1.51 116.42 115.19 2frm h ASP 65 Ca -0.00 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.58 2frm h ASP 65 Cb 0.20 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 2frm h ASP 65 CO -0.01 -0.30 0.58 0.40 -2.88 0.00 0.00 179.24 177.03 2frm h ILE 66 N -0.37 1.15 -0.47 2.25 2.04 -0.63 -1.94 117.51 119.53 2frm h ILE 66 Ca 0.06 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2frm h ILE 66 Cb 0.44 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 2frm h ILE 66 CO -0.20 0.20 0.18 0.74 0.00 0.00 0.00 178.15 179.07 2frm h THR 67 N 1.10 0.87 -0.43 -0.27 2.02 0.63 -1.35 112.91 115.49 2frm h THR 67 Ca 0.35 -0.13 0.10 0.00 0.77 0.00 0.00 66.41 67.50 2frm h THR 67 Cb 0.02 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2frm h THR 67 CO -0.10 0.07 0.30 0.45 0.37 0.00 0.00 175.52 176.60 2frm h HIS 68 N 0.37 0.15 0.00 3.16 3.86 -0.54 -1.34 115.15 120.80 2frm h HIS 68 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2frm h HIS 68 Cb 0.20 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2frm h HIS 68 CO -0.15 0.07 -0.11 0.66 0.86 0.00 0.00 177.93 179.26 2frm h SER 69 N 0.14 0.00 -0.63 2.45 4.64 -1.10 -3.36 113.55 115.69 2frm h SER 69 Ca 0.20 -0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.59 2frm h SER 69 Cb 0.61 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 2frm h SER 69 CO -0.03 0.01 0.29 0.24 -0.87 0.00 0.00 176.83 176.47 2frm h MET 70 N 0.00 0.50 -0.16 4.77 2.86 -0.95 -0.94 114.93 121.01 2frm h MET 70 Ca 0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2frm h MET 70 Cb 0.87 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2frm h MET 70 CO 0.00 0.33 -0.17 -0.24 1.06 0.00 0.00 176.91 177.89 2frm h VAL 71 N 0.51 1.20 -0.29 -2.22 3.04 -1.73 0.34 116.25 117.10 2frm h VAL 71 Ca 0.31 -0.91 -0.08 0.00 -1.01 0.00 0.00 66.70 65.01 2frm h VAL 71 Cb 0.32 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2frm h VAL 71 CO -0.26 0.28 -0.16 0.24 -1.01 0.00 0.00 177.57 176.66 2frm h MET 72 N 0.24 0.52 -0.01 4.17 2.86 -1.41 -2.38 114.93 118.92 2frm h MET 72 Ca 0.05 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2frm h MET 72 Cb 0.44 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2frm h MET 72 CO 0.03 0.67 -0.09 1.19 1.06 0.00 0.00 176.91 179.76 2frm n PHE 73 N -4.17 0.00 -2.31 -0.22 3.72 -0.74 -4.92 117.46 108.81 2frm n PHE 73 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 2frm n PHE 73 Cb 0.35 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2frm n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2frm n GLY 73 N 1.22 -0.03 3.67 1.37 0.00 -0.44 -5.00 105.19 105.98 2frm n GLY 73 Ca 0.17 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2frm n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2frm s SER 74 N -2.60 4.95 0.00 1.61 0.15 -0.02 -5.00 113.70 112.78 2frm s SER 74 Ca 0.04 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.56 2frm s SER 74 Cb -0.02 -1.16 0.19 0.00 -1.71 0.00 0.00 66.02 63.32 2frm s SER 74 CO 0.05 0.18 1.15 0.35 1.20 0.00 0.00 173.24 176.17 2frm n THR 75 N 0.61 0.97 -1.72 6.45 -2.24 -1.26 -4.18 114.28 112.91 2frm n THR 75 Ca -0.11 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.26 2frm n THR 75 Cb 0.52 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 2frm n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2frm n SER 76 N 0.15 3.14 -4.80 3.42 7.64 -1.26 -4.97 113.62 116.95 2frm n SER 76 Ca 0.07 1.21 -0.37 0.00 1.01 0.00 0.00 58.87 60.79 2frm n SER 76 Cb 0.36 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 2frm n SER 76 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2frm s LYS 77 N -1.82 3.99 -0.21 1.43 2.20 -1.26 -4.96 119.74 119.11 2frm s LYS 77 Ca 0.56 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 2frm s LYS 77 Cb -0.54 -3.30 0.06 0.00 -1.51 0.00 0.00 37.83 32.54 2frm s LYS 77 CO 0.62 0.51 0.01 0.08 -0.36 0.00 0.00 175.35 176.20 2frm s VAL 78 N -0.40 0.86 0.14 4.02 1.01 -1.26 0.34 120.40 125.12 2frm s VAL 78 Ca 0.20 -0.78 0.11 0.00 0.00 0.00 0.00 61.98 61.51 2frm s VAL 78 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2frm s VAL 78 CO 0.08 -0.17 -0.26 0.27 0.00 0.00 0.00 175.10 175.02 2frm s ILE 79 N 1.70 2.26 -0.03 2.22 -4.36 0.11 -4.58 121.20 118.53 2frm s ILE 79 Ca -0.03 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2frm s ILE 79 Cb -0.18 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2frm s ILE 79 CO -0.07 0.05 0.07 -0.83 0.24 0.00 0.00 174.94 174.40 2frm s GLY 80 N -2.15 1.99 0.31 6.27 0.00 -1.26 0.80 107.32 113.29 2frm s GLY 80 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 2frm s GLY 80 CO 0.06 -0.69 0.59 -0.37 0.00 0.00 0.00 173.10 172.69 2frm n THR 81 N 1.42 0.00 -2.00 0.90 5.66 0.25 -4.64 114.28 115.87 2frm n THR 81 Ca -0.15 -0.94 -0.00 0.00 -3.05 0.00 0.00 64.05 59.92 2frm n THR 81 Cb 0.53 0.82 -0.00 0.00 -1.55 0.00 0.00 70.33 70.13 2frm n THR 81 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2frm n ASN 83 N -1.49 0.00 -4.02 1.09 6.94 -1.26 -2.06 115.26 114.46 2frm n ASN 83 Ca -0.06 -1.59 -0.31 0.00 -0.02 0.00 0.00 54.58 52.60 2frm n ASN 83 Cb 0.48 -0.12 -0.16 0.00 -2.36 0.00 0.00 39.78 37.63 2frm n ASN 83 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2frm s ASP 84 N -0.60 3.81 0.63 0.53 3.68 -1.26 -4.90 116.67 118.55 2frm s ASP 84 Ca 0.00 -1.09 0.28 0.00 2.13 0.00 0.00 52.55 53.87 2frm s ASP 84 Cb 0.00 -1.36 1.48 0.00 -1.45 0.00 0.00 42.92 41.60 2frm s ASP 84 CO -0.00 -0.16 1.86 1.88 0.13 0.00 0.00 175.17 178.88 2frm h TYR 85 N 7.90 0.00 -0.36 -5.34 -1.99 -1.97 0.17 116.97 115.37 2frm h TYR 85 Ca -0.25 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.56 2frm h TYR 85 Cb 1.08 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.79 2frm h TYR 85 CO 0.55 0.00 0.25 0.00 -0.00 0.00 0.00 178.16 178.96 2frm h ALA 86 N 1.33 2.18 0.00 3.88 0.00 -1.94 -0.84 119.26 123.88 2frm h ALA 86 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2frm h ALA 86 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2frm h ALA 86 CO -0.00 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 2frm n ASP 87 N -4.46 0.04 -1.31 0.00 8.00 0.60 -2.62 116.55 116.80 2frm n ASP 87 Ca 0.05 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.16 2frm n ASP 87 Cb 0.35 -0.52 0.30 0.00 -0.02 0.00 0.00 41.12 41.24 2frm n ASP 87 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2frm n ILE 88 N -1.54 1.15 -1.74 0.53 -5.35 -0.32 -4.97 119.36 107.12 2frm n ILE 88 Ca 0.05 -0.94 -0.39 0.00 -0.27 0.00 0.00 62.75 61.19 2frm n ILE 88 Cb 0.23 0.31 0.03 0.00 -1.74 0.00 0.00 39.64 38.47 2frm n ILE 88 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2frm n SER 89 N 1.28 2.81 0.00 7.28 2.88 -1.08 -2.18 113.62 124.62 2frm n SER 89 Ca 0.22 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 2frm n SER 89 Cb 0.65 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2frm n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2frm n GLY 90 N 0.72 0.40 3.72 0.46 0.00 -0.97 -4.95 105.19 104.57 2frm n GLY 90 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2frm n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2frm n SER 91 N -0.13 3.23 0.02 1.61 7.64 -0.92 -4.81 113.62 120.27 2frm n SER 91 Ca 0.00 1.17 -0.07 0.00 1.01 0.00 0.00 58.87 60.98 2frm n SER 91 Cb 0.06 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 61.62 2frm n SER 91 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2frm h ASP 92 N 3.76 0.00 -4.49 6.43 3.32 -1.14 -3.35 116.42 120.95 2frm h ASP 92 Ca -0.47 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.34 2frm h ASP 92 Cb 1.26 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.57 2frm h ASP 92 CO 0.72 0.96 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.78 2frm s VAL 93 N -2.67 0.29 -0.07 -1.35 1.01 -1.11 -0.73 120.40 115.78 2frm s VAL 93 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2frm s VAL 93 Cb 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2frm s VAL 93 CO 0.82 -0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 2frm s VAL 94 N -0.92 0.71 -0.28 2.92 1.01 -0.60 -0.27 120.40 122.97 2frm s VAL 94 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2frm s VAL 94 Cb -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.62 2frm s VAL 94 CO -0.00 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.70 2frm s ILE 95 N 1.32 2.62 -0.28 2.22 1.01 0.71 -1.07 121.20 127.73 2frm s ILE 95 Ca -0.04 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 2frm s ILE 95 Cb -0.14 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2frm s ILE 95 CO -0.03 -0.06 0.53 -0.63 0.00 0.00 0.00 174.94 174.75 2frm s ILE 96 N 1.19 5.05 -0.29 2.92 1.01 -0.83 -0.67 121.20 129.57 2frm s ILE 96 Ca -0.07 0.82 0.07 0.00 0.00 0.00 0.00 60.65 61.47 2frm s ILE 96 Cb -0.20 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 2frm s ILE 96 CO -0.03 0.02 0.29 0.35 0.00 0.00 0.00 174.94 175.57 2frm n THR 97 N 5.22 0.00 -1.66 2.92 -2.24 0.71 -0.94 114.28 118.29 2frm n THR 97 Ca -0.04 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 2frm n THR 97 Cb 0.49 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2frm n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2frm n ALA 98 N -1.28 1.48 -2.35 6.98 0.00 -1.11 -4.86 120.51 119.37 2frm n ALA 98 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2frm n ALA 98 Cb 0.13 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 16.92 2frm n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2frm n SER 99 N 7.45 3.27 -4.61 0.00 3.41 -1.26 -4.85 113.62 117.02 2frm n SER 99 Ca 0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 2frm n SER 99 Cb 0.39 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2frm n SER 99 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2frm s ILE 100 N 0.33 4.30 -1.59 -1.33 -4.36 -1.26 -4.89 121.20 112.40 2frm s ILE 100 Ca 0.00 1.36 0.04 0.00 -0.26 0.00 0.00 60.65 61.79 2frm s ILE 100 Cb 0.00 -4.55 0.08 0.00 1.25 0.00 0.00 42.46 39.24 2frm s ILE 100 CO 0.00 -0.85 0.88 -2.65 0.24 0.00 0.00 174.94 172.56 2frm n PRO 103 N 7.54 0.07 -2.04 0.37 -0.02 -1.26 -4.73 135.00 134.93 2frm n PRO 103 Ca 0.12 0.18 -0.28 0.00 -2.02 0.00 0.00 63.50 61.50 2frm n PRO 103 Cb 0.48 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.59 2frm n PRO 103 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2frm s GLY 103 N -2.41 1.70 -0.35 -1.23 0.00 -1.26 -5.06 107.32 98.71 2frm s GLY 103 Ca 0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 2frm s GLY 103 CO 0.05 -0.43 0.10 0.50 0.00 0.00 0.00 173.10 173.32 2frm s ARG 103 N -5.58 2.33 -0.21 2.90 3.00 -1.26 -4.94 118.95 115.18 2frm s ARG 103 Ca 0.66 -1.44 -0.28 0.00 0.00 0.00 0.00 55.73 54.67 2frm s ARG 103 Cb -0.08 -3.39 -0.05 0.00 0.00 0.00 0.00 34.95 31.43 2frm s ARG 103 CO 0.49 -0.79 2.11 -1.25 0.00 0.00 0.00 175.30 175.86 2frm s PRO 105 N 1.25 3.27 -0.41 3.54 0.04 -1.26 -4.87 135.00 136.55 2frm s PRO 105 Ca 0.00 1.98 0.11 0.00 0.04 0.00 0.00 61.00 63.13 2frm s PRO 105 Cb -0.21 -4.32 0.38 0.00 0.04 0.00 0.00 34.50 30.40 2frm s PRO 105 CO -0.01 -1.95 0.88 1.63 0.04 0.00 0.00 177.00 177.59 2frm n LYS 105 N 8.57 1.85 -1.00 4.56 5.02 -1.26 -4.93 118.16 130.97 2frm n LYS 105 Ca 0.28 -3.83 0.14 0.00 -2.02 0.00 0.00 58.31 52.87 2frm n LYS 105 Cb 0.45 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2frm n LYS 105 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2frm n ASP 106 N -0.02 -6.18 -1.12 4.39 10.43 -1.26 -5.05 116.55 117.74 2frm n ASP 106 Ca 0.24 1.08 0.00 0.00 2.57 0.00 0.00 54.79 58.68 2frm n ASP 106 Cb 0.64 -3.03 0.00 0.00 1.84 0.00 0.00 41.12 40.57 2frm n ASP 106 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2frm n ASP 107 N -3.30 -6.23 -4.49 -2.24 2.03 -1.26 -5.04 116.55 96.03 2frm n ASP 107 Ca 0.01 1.05 -0.24 0.00 0.52 0.00 0.00 54.79 56.13 2frm n ASP 107 Cb 0.46 -3.19 -0.10 0.00 -0.72 0.00 0.00 41.12 37.57 2frm n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2frm s ARG 109 N -4.62 1.72 0.00 -0.67 1.04 -1.26 -5.11 118.95 110.05 2frm s ARG 109 Ca 0.00 -1.78 0.00 0.00 -1.04 0.00 0.00 55.73 52.91 2frm s ARG 109 Cb 0.00 -1.78 0.00 0.00 -2.04 0.00 0.00 34.95 31.13 2frm s ARG 109 CO 0.00 0.31 0.00 0.43 -0.04 0.00 0.00 175.30 176.00 2frm n SER 110 N -0.65 0.00 -0.54 -2.89 7.64 -1.26 -5.17 113.62 110.75 2frm n SER 110 Ca -0.05 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.87 2frm n SER 110 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 2frm n SER 110 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2frm n GLU 111 N 0.00 -0.56 -2.49 1.43 4.71 -1.26 -4.96 120.64 117.51 2frm n GLU 111 Ca 0.00 0.37 -0.07 0.00 -0.01 0.00 0.00 57.16 57.46 2frm n GLU 111 Cb 0.00 -0.69 0.03 0.00 -1.01 0.00 0.00 31.44 29.78 2frm n GLU 111 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2frm n LEU 112 N 0.00 -2.93 0.00 -4.62 7.99 -1.26 -4.98 117.00 111.20 2frm n LEU 112 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 56.01 55.75 2frm n LEU 112 Cb 0.13 -1.54 0.00 0.00 -0.11 0.00 0.00 43.42 41.90 2frm n LEU 112 CO 0.00 0.13 -0.32 0.18 -1.51 0.00 0.00 177.39 175.87 2frm n LEU 113 N -2.22 1.12 0.00 2.23 4.32 -1.26 -4.66 117.00 116.53 2frm n LEU 113 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 55.97 2frm n LEU 113 Cb 0.56 0.00 0.41 0.00 -1.62 0.00 0.00 43.42 42.77 2frm n LEU 113 CO 0.24 0.19 0.71 0.49 -1.22 0.00 0.00 177.39 177.80 2frm n PHE 114 N -1.85 0.00 0.04 -1.77 3.72 -1.26 -2.15 117.46 114.19 2frm n PHE 114 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2frm n PHE 114 Cb 0.32 -0.24 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 2frm n PHE 114 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2frm h GLY 115 N 2.56 0.00 2.00 1.37 0.00 -2.00 -3.04 103.07 103.96 2frm h GLY 115 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2frm h GLY 115 CO 0.00 0.00 -0.57 3.43 0.00 0.00 0.00 176.54 179.40 2frm h ASN 116 N 0.00 0.00 0.67 0.19 4.21 -1.74 -3.06 115.58 115.86 2frm h ASN 116 Ca -0.11 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.13 2frm h ASN 116 Cb 1.80 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.99 2frm h ASN 116 CO 0.10 0.57 -1.29 0.00 -1.29 0.00 0.00 177.43 175.52 2frm h ALA 117 N 1.43 0.27 -0.48 -0.83 0.00 -1.66 -2.76 119.26 115.24 2frm h ALA 117 Ca -0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 54.91 53.83 2frm h ALA 117 Cb 1.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2frm h ALA 117 CO 0.07 1.14 0.00 0.07 0.00 0.00 0.00 179.25 180.54 2frm h ARG 118 N 0.05 0.79 -0.01 0.00 0.11 -1.57 -1.51 114.38 112.24 2frm h ARG 118 Ca -0.14 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 2frm h ARG 118 Cb 1.93 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.92 2frm h ARG 118 CO 0.16 0.79 -0.03 0.82 0.10 0.00 0.00 179.97 181.82 2frm h ILE 119 N 0.74 1.45 -0.09 0.08 1.08 -1.59 -2.85 117.51 116.33 2frm h ILE 119 Ca 0.14 -1.37 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 2frm h ILE 119 Cb 0.45 2.35 -0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2frm h ILE 119 CO 0.02 0.36 0.17 -0.07 -0.69 0.00 0.00 178.15 177.94 2frm h LEU 120 N -0.52 0.00 -0.12 1.44 3.38 -1.35 0.27 115.31 118.40 2frm h LEU 120 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2frm h LEU 120 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2frm h LEU 120 CO 0.01 0.00 -0.30 0.44 0.09 0.00 0.00 178.44 178.68 2frm h ASP 121 N 0.00 0.48 -0.26 -0.43 3.45 -1.10 0.10 116.42 118.67 2frm h ASP 121 Ca 0.04 -0.58 -0.10 0.00 0.43 0.00 0.00 57.03 56.82 2frm h ASP 121 Cb 0.37 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 2frm h ASP 121 CO -0.00 0.97 -0.20 -1.28 -1.57 0.00 0.00 179.24 177.16 2frm h SER 122 N 0.01 0.72 0.20 6.45 0.87 -0.39 -2.71 113.55 118.70 2frm h SER 122 Ca -0.00 -0.24 -0.19 0.00 -1.23 0.00 0.00 61.79 60.12 2frm h SER 122 Cb 0.91 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2frm h SER 122 CO 0.07 0.91 -0.76 0.58 -0.53 0.00 0.00 176.83 177.10 2frm h VAL 123 N 0.63 1.36 -0.51 2.23 2.07 -0.79 -3.04 116.25 118.21 2frm h VAL 123 Ca 0.09 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2frm h VAL 123 Cb 0.68 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2frm h VAL 123 CO 0.05 0.65 0.33 0.00 0.02 0.00 0.00 177.57 178.62 2frm h ALA 124 N 0.85 1.63 0.44 1.67 0.00 -0.79 -1.73 119.26 121.32 2frm h ALA 124 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2frm h ALA 124 Cb 1.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2frm h ALA 124 CO 0.13 0.34 -0.21 0.93 0.00 0.00 0.00 179.25 180.45 2frm h GLU 125 N 0.69 -0.56 -0.76 0.00 4.39 -1.38 -1.98 114.58 114.98 2frm h GLU 125 Ca 0.19 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.98 2frm h GLU 125 Cb -0.07 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 2frm h GLU 125 CO -0.04 -0.31 0.46 0.78 -1.16 0.00 0.00 179.01 178.74 2frm h GLY 126 N -0.72 1.12 0.93 -3.84 0.00 -1.42 -0.45 103.07 98.69 2frm h GLY 126 Ca -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2frm h GLY 126 CO 0.10 0.24 -0.25 -2.08 0.00 0.00 0.00 176.54 174.55 2frm h VAL 127 N 0.86 0.48 0.00 4.60 2.07 -1.28 0.25 116.25 123.22 2frm h VAL 127 Ca 0.33 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2frm h VAL 127 Cb 0.13 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2frm h VAL 127 CO -0.16 0.02 0.00 0.07 0.02 0.00 0.00 177.57 177.53 2frm h LYS 128 N -0.78 0.00 0.00 1.57 2.10 -1.24 0.19 116.57 118.41 2frm h LYS 128 Ca -0.07 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.33 2frm h LYS 128 Cb 0.57 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 2frm h LYS 128 CO 0.12 0.00 -1.65 1.17 -2.00 0.00 0.00 179.45 177.09 2frm n LYS 129 N -2.71 0.63 0.00 0.07 4.81 -0.19 -4.51 118.16 116.26 2frm n LYS 129 Ca -0.00 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2frm n LYS 129 Cb 0.19 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.46 2frm n LYS 129 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2frm n TYR 130 N -2.95 0.00 -3.04 5.64 4.01 0.84 -4.91 117.16 116.75 2frm n TYR 130 Ca -0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 2frm n TYR 130 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.00 2frm n TYR 130 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2frm h PRO 132 N 2.98 0.70 0.00 0.00 0.11 -1.35 -1.41 132.00 133.03 2frm h PRO 132 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2frm h PRO 132 Cb 1.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2frm h PRO 132 CO 0.45 0.47 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 2frm n ASN 132 N -4.68 0.00 -4.75 -2.05 3.02 -1.26 -4.90 115.26 100.63 2frm n ASN 132 Ca 0.22 -0.98 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 2frm n ASN 132 Cb 0.56 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.80 2frm n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2frm s ALA 133 N -2.00 2.34 -0.26 5.41 0.00 -0.53 -4.98 121.76 121.74 2frm s ALA 133 Ca 0.42 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 2frm s ALA 133 Cb 0.19 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2frm s ALA 133 CO 0.33 -1.49 0.51 0.12 0.00 0.00 0.00 175.76 175.23 2frm s PHE 134 N -2.20 3.26 -0.18 0.00 5.36 0.09 -4.92 117.98 119.39 2frm s PHE 134 Ca 0.70 0.62 -0.09 0.00 -0.96 0.00 0.00 56.93 57.20 2frm s PHE 134 Cb -0.24 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.68 2frm s PHE 134 CO 0.42 -0.28 0.13 0.08 -1.46 0.00 0.00 175.22 174.11 2frm s VAL 135 N 2.30 5.40 -0.22 3.12 1.01 -0.16 -1.56 120.40 130.29 2frm s VAL 135 Ca 0.21 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2frm s VAL 135 Cb -0.16 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2frm s VAL 135 CO 0.09 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.89 2frm s ILE 136 N 0.09 2.09 -0.08 2.22 1.01 -0.23 -1.34 121.20 124.96 2frm s ILE 136 Ca 0.09 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 2frm s ILE 136 Cb -0.11 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2frm s ILE 136 CO -0.01 0.23 0.35 0.00 0.00 0.00 0.00 174.94 175.52 2frm s ILE 138 N -0.33 1.84 -0.28 0.00 1.01 -0.12 0.50 121.20 123.83 2frm s ILE 138 Ca 0.21 -3.62 -0.25 0.00 0.00 0.00 0.00 60.65 56.99 2frm s ILE 138 Cb -0.15 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.22 2frm s ILE 138 CO 0.09 -1.10 1.00 0.28 0.00 0.00 0.00 174.94 175.20 2frm s THR 139 N -0.84 0.00 0.03 2.92 -1.32 -1.26 -4.39 115.64 110.77 2frm s THR 139 Ca 0.28 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.71 2frm s THR 139 Cb -0.01 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2frm s THR 139 CO -0.18 0.00 0.26 0.20 -2.21 0.00 0.00 174.62 172.69 2frm s ASN 140 N 0.21 6.45 -0.42 8.08 0.01 -1.26 -1.87 114.94 126.15 2frm s ASN 140 Ca 0.03 0.49 -0.28 0.00 -0.71 0.00 0.00 52.86 52.38 2frm s ASN 140 Cb -0.05 -2.06 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 2frm s ASN 140 CO -0.05 0.22 1.80 -2.84 -1.51 0.00 0.00 177.10 174.71 2frm s PRO 141 N -2.00 3.13 0.00 -0.60 0.02 -1.26 -4.89 135.00 129.40 2frm s PRO 141 Ca 0.30 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2frm s PRO 141 Cb -0.13 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.15 2frm s PRO 141 CO 0.19 -2.11 0.81 -0.11 -0.33 0.00 0.00 177.00 175.45 2frm n LEU 142 N 10.97 0.00 -0.33 -5.54 7.94 -0.78 0.44 117.00 129.70 2frm n LEU 142 Ca 0.22 0.81 0.22 0.00 -1.11 0.00 0.00 56.01 56.15 2frm n LEU 142 Cb 0.48 -0.31 0.45 0.00 0.53 0.00 0.00 43.42 44.57 2frm n LEU 142 CO 0.69 -0.31 1.09 0.44 -1.11 0.00 0.00 177.39 178.19 2frm h ASP 143 N 0.00 0.43 -0.02 1.96 3.32 -1.92 0.38 116.42 120.57 2frm h ASP 143 Ca 0.00 0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2frm h ASP 143 Cb 0.00 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2frm h ASP 143 CO 0.00 -0.14 -0.17 0.58 -1.72 0.00 0.00 179.24 177.79 2frm h VAL 144 N 0.30 1.51 -0.60 -1.35 2.07 -1.74 -2.97 116.25 113.47 2frm h VAL 144 Ca 0.71 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2frm h VAL 144 Cb 1.59 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 33.90 2frm h VAL 144 CO -0.62 0.47 0.35 0.24 0.02 0.00 0.00 177.57 178.04 2frm h MET 145 N -0.47 0.67 0.06 1.57 2.86 0.17 0.10 114.93 119.90 2frm h MET 145 Ca -0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2frm h MET 145 Cb 0.86 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2frm h MET 145 CO 0.03 0.44 -0.16 0.28 1.06 0.00 0.00 176.91 178.57 2frm h VAL 146 N 0.69 0.62 -0.77 -2.22 2.07 -0.41 0.11 116.25 116.34 2frm h VAL 146 Ca 0.25 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.78 2frm h VAL 146 Cb 0.06 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2frm h VAL 146 CO -0.12 0.00 0.51 -1.28 0.02 0.00 0.00 177.57 176.70 2frm h SER 147 N -0.30 0.87 -0.77 0.57 0.87 -1.31 -1.14 113.55 112.34 2frm h SER 147 Ca 0.03 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2frm h SER 147 Cb 0.33 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2frm h SER 147 CO -0.11 0.63 0.43 -0.74 -0.53 0.00 0.00 176.83 176.50 2frm h HIS 148 N 1.03 1.06 -0.18 2.24 6.17 0.12 -0.20 115.15 125.38 2frm h HIS 148 Ca 0.29 -0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.30 2frm h HIS 148 Cb -0.09 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.49 2frm h HIS 148 CO -0.00 0.74 -0.05 0.35 0.71 0.00 0.00 177.93 179.67 2frm h PHE 149 N 1.07 0.40 -0.51 5.26 3.57 0.05 -0.91 116.94 125.88 2frm h PHE 149 Ca 0.27 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2frm h PHE 149 Cb 0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2frm h PHE 149 CO -0.00 0.63 0.32 0.37 -2.23 0.00 0.00 178.31 177.39 2frm h GLN 150 N 0.06 0.68 -0.02 1.11 -0.00 -1.03 0.59 115.11 116.51 2frm h GLN 150 Ca 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2frm h GLN 150 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 2frm h GLN 150 CO 0.02 0.47 -0.01 -0.22 0.00 0.00 0.00 178.83 179.09 2frm h LYS 151 N 0.70 0.05 0.02 1.69 3.64 -0.83 -2.18 116.57 119.66 2frm h LYS 151 Ca 0.19 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2frm h LYS 151 Cb -0.04 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2frm h LYS 151 CO -0.04 0.43 -0.46 -0.39 -2.27 0.00 0.00 179.45 176.72 2frm h VAL 152 N -0.33 1.51 0.00 2.00 -1.51 -0.80 -3.31 116.25 113.81 2frm h VAL 152 Ca 0.01 -2.12 -0.05 0.00 -1.23 0.00 0.00 66.70 63.30 2frm h VAL 152 Cb 0.41 2.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2frm h VAL 152 CO 0.00 0.60 -0.26 0.77 -1.23 0.00 0.00 177.57 177.45 2frm h SER 153 N -0.36 0.00 0.00 4.19 4.64 0.06 -3.47 113.55 118.61 2frm h SER 153 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2frm h SER 153 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2frm h SER 153 CO 0.09 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 2frm n GLY 154 N -0.45 0.44 3.79 -0.77 0.00 -0.82 -4.74 105.19 102.63 2frm n GLY 154 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2frm n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2frm s LEU 155 N 0.00 3.73 0.32 0.99 1.43 -1.25 -4.95 118.68 118.95 2frm s LEU 155 Ca 0.00 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.83 2frm s LEU 155 Cb 0.00 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.53 2frm s LEU 155 CO 0.00 -1.06 1.35 -0.81 0.23 0.00 0.00 176.35 176.05 2frm n PRO 156 N -1.32 2.17 -0.25 1.29 -0.04 -1.26 -4.87 135.00 130.71 2frm n PRO 156 Ca 0.10 0.76 -0.02 0.00 -0.04 0.00 0.00 63.50 64.31 2frm n PRO 156 Cb 0.52 -2.38 0.05 0.00 -0.04 0.00 0.00 33.50 31.64 2frm n PRO 156 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2frm h HIS 157 N 3.09 -0.71 0.00 0.54 3.86 -1.93 0.37 115.15 120.37 2frm h HIS 157 Ca -0.46 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2frm h HIS 157 Cb 1.28 0.42 0.00 0.00 1.06 0.00 0.00 27.41 30.17 2frm h HIS 157 CO 0.53 -0.36 0.19 -2.95 0.86 0.00 0.00 177.93 176.19 2frm h ASN 158 N -0.07 0.00 -0.69 2.45 -1.07 -1.90 -1.11 115.58 113.19 2frm h ASN 158 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.68 2frm h ASN 158 Cb 0.56 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 2frm h ASN 158 CO -0.77 0.00 0.00 0.29 0.07 0.00 0.00 177.43 177.02 2frm n LYS 159 N -2.25 2.84 -4.20 4.14 4.76 0.13 -0.86 118.16 122.72 2frm n LYS 159 Ca -0.01 -2.64 -0.18 0.00 -2.87 0.00 0.00 58.31 52.61 2frm n LYS 159 Cb 0.22 -1.57 -0.15 0.00 -1.84 0.00 0.00 35.03 31.68 2frm n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2frm s VAL 160 N -1.08 0.52 0.26 -0.18 1.01 -0.42 -0.99 120.40 119.52 2frm s VAL 160 Ca 0.47 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 2frm s VAL 160 Cb 0.25 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2frm s VAL 160 CO 0.31 0.18 0.63 0.00 0.00 0.00 0.00 175.10 176.22 2frm s GLY 162 N -2.95 1.75 -0.37 0.00 0.00 -0.43 0.12 107.32 105.44 2frm s GLY 162 Ca 0.15 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 43.09 2frm s GLY 162 CO 0.07 -1.70 0.24 -0.29 0.00 0.00 0.00 173.10 171.42 2frm s MET 163 N -3.03 3.09 0.17 2.90 1.75 0.18 -2.78 119.30 121.59 2frm s MET 163 Ca 0.25 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 53.78 2frm s MET 163 Cb -0.07 -3.82 0.00 0.00 2.84 0.00 0.00 34.83 33.78 2frm s MET 163 CO 0.14 -0.62 0.00 0.00 -0.65 0.00 0.00 175.02 173.88 2frm n ALA 164 N 5.08 0.00 -0.19 4.11 0.00 -1.26 -4.82 120.51 123.43 2frm n ALA 164 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 2frm n ALA 164 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2frm n ALA 164 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2frm h GLY 165 N 0.00 -0.39 0.53 0.00 0.00 -1.77 0.43 103.07 101.88 2frm h GLY 165 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 47.33 47.94 2frm h GLY 165 CO 0.00 -0.18 0.42 -2.08 0.00 0.00 0.00 176.54 174.70 2frm h VAL 166 N -0.23 0.90 -0.15 4.60 2.07 -1.40 0.63 116.25 122.67 2frm h VAL 166 Ca 0.18 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2frm h VAL 166 Cb 0.56 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2frm h VAL 166 CO -0.66 0.13 0.03 0.25 0.02 0.00 0.00 177.57 177.34 2frm h LEU 167 N 0.72 0.24 -0.78 2.57 5.85 -1.56 0.66 115.31 123.02 2frm h LEU 167 Ca 0.37 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2frm h LEU 167 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2frm h LEU 167 CO -0.24 0.43 -0.58 0.44 -0.34 0.00 0.00 178.44 178.15 2frm h ASP 168 N 0.04 0.00 0.07 1.25 3.32 -0.53 -2.53 116.42 118.04 2frm h ASP 168 Ca 0.05 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 2frm h ASP 168 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2frm h ASP 168 CO 0.00 0.58 -0.78 0.28 -1.72 0.00 0.00 179.24 177.60 2frm h SER 169 N 0.00 0.72 0.63 6.45 0.02 0.38 -1.69 113.55 120.06 2frm h SER 169 Ca -0.01 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2frm h SER 169 Cb 1.07 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.40 2frm h SER 169 CO 0.08 1.26 -0.30 0.28 -1.14 0.00 0.00 176.83 177.00 2frm h SER 170 N 0.40 -0.72 -0.84 3.07 0.02 -0.73 0.43 113.55 115.17 2frm h SER 170 Ca -0.05 -0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.01 2frm h SER 170 Cb 1.39 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 64.04 2frm h SER 170 CO 0.15 -0.46 0.47 0.03 -1.14 0.00 0.00 176.83 175.87 2frm h ARG 171 N -0.93 0.72 0.43 3.45 3.08 -1.52 0.72 114.38 120.33 2frm h ARG 171 Ca -0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2frm h ARG 171 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2frm h ARG 171 CO 0.14 0.48 -0.29 0.35 -1.07 0.00 0.00 179.97 179.57 2frm h PHE 172 N 0.74 -0.78 -0.43 3.04 3.57 -0.97 0.14 116.94 122.24 2frm h PHE 172 Ca 0.43 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.93 2frm h PHE 172 Cb 0.48 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2frm h PHE 172 CO -0.07 -0.44 0.29 0.00 -2.23 0.00 0.00 178.31 175.85 2frm h ARG 173 N -0.71 0.55 0.65 1.11 3.08 0.96 -1.94 114.38 118.09 2frm h ARG 173 Ca -0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2frm h ARG 173 Cb 0.59 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.52 2frm h ARG 173 CO 0.02 0.37 -0.31 1.15 -1.07 0.00 0.00 179.97 180.13 2frm h THR 174 N 0.57 0.00 -0.97 2.04 2.02 0.12 -1.23 112.91 115.46 2frm h THR 174 Ca 0.16 -0.15 0.22 0.00 0.77 0.00 0.00 66.41 67.41 2frm h THR 174 Cb -0.04 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.29 2frm h THR 174 CO -0.04 0.00 0.62 -0.26 0.37 0.00 0.00 175.52 176.22 2frm h PHE 175 N -1.02 0.70 0.24 3.16 0.04 -0.58 0.17 116.94 119.65 2frm h PHE 175 Ca -0.09 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2frm h PHE 175 Cb 0.67 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2frm h PHE 175 CO 0.04 0.15 -0.12 0.82 -0.60 0.00 0.00 178.31 178.60 2frm h ILE 176 N 0.49 0.81 -0.63 -0.55 2.04 -1.27 -2.71 117.51 115.71 2frm h ILE 176 Ca 0.53 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.85 2frm h ILE 176 Cb 1.19 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 2frm h ILE 176 CO -0.26 0.13 0.42 0.00 0.00 0.00 0.00 178.15 178.44 2frm h ALA 177 N -0.02 1.92 -0.15 1.87 0.00 -0.09 0.70 119.26 123.48 2frm h ALA 177 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2frm h ALA 177 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2frm h ALA 177 CO 0.05 -0.04 -0.04 0.37 0.00 0.00 0.00 179.25 179.60 2frm h GLN 178 N 0.51 0.22 0.08 0.00 5.75 -0.56 0.84 115.11 121.95 2frm h GLN 178 Ca 0.28 -0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.50 2frm h GLN 178 Cb 0.44 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 28.98 2frm h GLN 178 CO -0.09 0.27 -1.01 1.25 -2.65 0.00 0.00 178.83 176.61 2frm h HIS 179 N 0.21 0.86 -0.00 3.99 2.76 -0.55 -3.26 115.15 119.16 2frm h HIS 179 Ca 0.05 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2frm h HIS 179 Cb 0.21 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2frm h HIS 179 CO 0.00 1.37 -0.17 1.19 -1.30 0.00 0.00 177.93 179.02 2frm n PHE 180 N -3.95 0.00 -3.22 5.26 3.72 -1.02 -4.93 117.46 113.31 2frm n PHE 180 Ca -0.13 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.12 2frm n PHE 180 Cb 0.88 -0.24 0.07 0.00 -0.94 0.00 0.00 39.48 39.25 2frm n PHE 180 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2frm n GLY 181 N 1.35 -0.23 3.25 1.37 0.00 0.17 -5.02 105.19 106.07 2frm n GLY 181 Ca 0.12 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2frm n GLY 181 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2frm s VAL 182 N -3.29 1.16 -0.02 1.61 -7.23 -0.51 -5.05 120.40 107.07 2frm s VAL 182 Ca 0.07 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 2frm s VAL 182 Cb -0.03 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.01 2frm s VAL 182 CO 0.60 -0.74 1.96 0.21 -0.31 0.00 0.00 175.10 176.82 2frm s ASN 183 N -3.13 6.33 0.45 4.85 2.47 -1.26 -4.52 114.94 120.12 2frm s ASN 183 Ca 0.16 2.47 0.23 0.00 0.42 0.00 0.00 52.86 56.14 2frm s ASN 183 Cb 0.02 -2.53 1.22 0.00 -1.45 0.00 0.00 41.25 38.52 2frm s ASN 183 CO 0.00 -1.18 1.81 0.00 -3.72 0.00 0.00 177.10 174.02 2frm h ALA 184 N 11.14 2.46 0.00 1.71 0.00 -1.90 0.11 119.26 132.77 2frm h ALA 184 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2frm h ALA 184 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2frm h ALA 184 CO 0.95 -0.80 0.00 0.77 0.00 0.00 0.00 179.25 180.16 2frm h SER 185 N 0.28 0.00 -0.73 0.00 0.02 -1.93 -1.93 113.55 109.26 2frm h SER 185 Ca 0.54 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.29 2frm h SER 185 Cb 1.58 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.00 2frm h SER 185 CO -0.18 0.00 0.25 0.47 -1.14 0.00 0.00 176.83 176.23 2frm n ASP 186 N -2.67 4.94 -3.97 3.07 8.00 0.39 -4.85 116.55 121.46 2frm n ASP 186 Ca -0.01 -3.21 -0.29 0.00 0.71 0.00 0.00 54.79 52.00 2frm n ASP 186 Cb 0.15 -0.74 -0.17 0.00 -0.02 0.00 0.00 41.12 40.35 2frm n ASP 186 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2frm s VAL 187 N -2.98 1.36 -0.04 2.53 -7.23 -0.73 -4.59 120.40 108.72 2frm s VAL 187 Ca 0.55 -0.55 -0.23 0.00 -1.81 0.00 0.00 61.98 59.94 2frm s VAL 187 Cb 0.44 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2frm s VAL 187 CO 0.14 0.38 0.69 -0.55 -0.31 0.00 0.00 175.10 175.45 2frm s SER 188 N 1.57 7.03 -0.29 4.85 0.15 0.51 -4.91 113.70 122.59 2frm s SER 188 Ca 0.04 1.23 -0.15 0.00 0.70 0.00 0.00 55.95 57.77 2frm s SER 188 Cb -0.13 -2.41 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2frm s SER 188 CO -0.09 -0.05 0.98 0.00 1.20 0.00 0.00 173.24 175.27 2frm s ALA 189 N 0.47 -2.46 0.33 5.45 0.00 -1.26 -1.15 121.76 123.14 2frm s ALA 189 Ca 0.37 2.14 0.08 0.00 0.00 0.00 0.00 51.96 54.54 2frm s ALA 189 Cb -0.18 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2frm s ALA 189 CO 0.19 -0.62 0.20 -0.80 0.00 0.00 0.00 175.76 174.73 2frm s ASN 190 N 1.84 4.98 -0.42 0.00 0.01 -1.26 -4.73 114.94 115.35 2frm s ASN 190 Ca -0.06 -0.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.51 2frm s ASN 190 Cb -0.05 -0.88 0.17 0.00 0.41 0.00 0.00 41.25 40.90 2frm s ASN 190 CO -0.16 -0.29 0.41 -0.69 -1.51 0.00 0.00 177.10 174.86 2frm s VAL 191 N -2.35 -0.07 0.47 1.60 1.01 -1.26 -2.71 120.40 117.09 2frm s VAL 191 Ca 0.38 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.36 2frm s VAL 191 Cb -0.04 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.55 2frm s VAL 191 CO 0.24 -0.86 0.64 2.30 0.00 0.00 0.00 175.10 177.43 2frm n ILE 192 N 3.21 0.00 -1.69 2.22 -5.35 -1.08 -4.64 119.36 112.04 2frm n ILE 192 Ca 0.23 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2frm n ILE 192 Cb 0.48 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 2frm n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2frm n GLY 193 N 0.56 -1.83 2.57 3.28 0.00 -0.30 -1.09 105.19 108.38 2frm n GLY 193 Ca 0.09 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 2frm n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frm n GLY 194 N 0.00 -1.58 3.97 -0.02 0.00 -1.18 -2.84 105.19 103.55 2frm n GLY 194 Ca 0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 2frm n GLY 194 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2frm s HIS 195 N -2.87 1.31 0.00 1.61 -3.43 -1.26 -2.40 115.29 108.25 2frm s HIS 195 Ca 0.50 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2frm s HIS 195 Cb -0.02 -3.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.65 2frm s HIS 195 CO 0.36 -2.23 0.00 0.41 -2.00 0.00 0.00 174.74 171.28 2frm n GLY 196 N -3.28 2.38 0.00 -1.38 0.00 -1.26 -0.26 105.19 101.39 2frm n GLY 196 Ca 0.17 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.87 2frm n GLY 196 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2frm n ASP 197 N 0.01 0.00 0.08 1.61 9.92 -1.26 -0.20 116.55 126.71 2frm n ASP 197 Ca 0.00 0.42 0.13 0.00 -0.53 0.00 0.00 54.79 54.80 2frm n ASP 197 Cb 0.00 -0.42 0.47 0.00 -0.64 0.00 0.00 41.12 40.52 2frm n ASP 197 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2frm n GLY 198 N -1.32 -1.57 3.57 0.44 0.00 0.64 -4.88 105.19 102.06 2frm n GLY 198 Ca 0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.51 2frm n GLY 198 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2frm n MET 199 N -2.03 1.12 -3.40 1.61 2.81 0.71 -3.11 117.12 114.82 2frm n MET 199 Ca 0.05 0.40 -0.26 0.00 -1.81 0.00 0.00 57.70 56.08 2frm n MET 199 Cb 0.37 -1.82 -0.09 0.00 -0.71 0.00 0.00 33.22 30.97 2frm n MET 199 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2frm n VAL 200 N 1.04 -0.45 -1.99 2.03 0.31 -0.25 -4.95 118.33 114.07 2frm n VAL 200 Ca 0.14 -3.90 -0.43 0.00 -0.01 0.00 0.00 64.34 60.14 2frm n VAL 200 Cb 0.26 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 2frm n VAL 200 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2frm s PRO 201 N -0.67 3.32 -0.94 5.55 0.04 -1.26 -2.62 135.00 138.43 2frm s PRO 201 Ca 0.33 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.55 2frm s PRO 201 Cb 0.07 -4.20 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 2frm s PRO 201 CO -0.16 -1.87 2.04 0.00 0.04 0.00 0.00 177.00 177.05 2frm s ALA 202 N 6.94 1.45 -1.40 8.56 0.00 -1.10 -4.74 121.76 131.46 2frm s ALA 202 Ca 0.80 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2frm s ALA 202 Cb -0.22 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.31 2frm s ALA 202 CO 0.33 -5.19 0.79 0.25 0.00 0.00 0.00 175.76 171.94 2frm n THR 203 N 8.09 1.17 1.06 0.00 -2.24 -1.26 -0.11 114.28 121.00 2frm n THR 203 Ca 0.42 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.62 2frm n THR 203 Cb 0.46 -1.30 0.19 0.00 -2.10 0.00 0.00 70.33 67.58 2frm n THR 203 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2frm n SER 204 N -1.29 0.88 -0.05 3.42 3.41 -1.26 -3.99 113.62 114.73 2frm n SER 204 Ca 0.00 -0.68 0.01 0.00 -0.26 0.00 0.00 58.87 57.94 2frm n SER 204 Cb 0.00 0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 64.18 2frm n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2frm n SER 205 N -1.15 0.02 -4.65 4.04 3.41 0.84 -4.94 113.62 111.20 2frm n SER 205 Ca 0.07 0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.29 2frm n SER 205 Cb 0.35 1.49 0.03 0.00 -0.26 0.00 0.00 64.21 65.81 2frm n SER 205 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2frm n VAL 206 N -2.51 3.02 -3.64 -3.33 3.14 -1.20 -4.60 118.33 109.21 2frm n VAL 206 Ca -0.18 -0.50 -0.05 0.00 -2.96 0.00 0.00 64.34 60.65 2frm n VAL 206 Cb 0.86 -1.30 -0.07 0.00 -1.06 0.00 0.00 33.84 32.27 2frm n VAL 206 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2frm s SER 207 N -0.88 -0.49 -0.36 6.55 0.01 -0.30 -3.73 113.70 114.50 2frm s SER 207 Ca 0.68 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.83 2frm s SER 207 Cb -0.48 1.04 0.47 0.00 0.21 0.00 0.00 66.02 67.26 2frm s SER 207 CO 0.53 -0.14 1.45 0.52 0.41 0.00 0.00 173.24 176.02 2frm n VAL 208 N 3.04 2.75 0.00 3.43 0.31 -1.26 -0.37 118.33 126.23 2frm n VAL 208 Ca -0.16 -3.44 0.00 0.00 -0.01 0.00 0.00 64.34 60.73 2frm n VAL 208 Cb 0.57 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2frm n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2frm n GLY 209 N -0.91 0.00 3.52 2.92 0.00 -1.26 -4.93 105.19 104.53 2frm n GLY 209 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 2frm n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2frm s VAL 209 N 0.00 4.82 0.73 1.61 1.01 -1.26 -5.08 120.40 122.22 2frm s VAL 209 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2frm s VAL 209 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2frm s VAL 209 CO 0.00 0.28 1.25 -2.65 0.00 0.00 0.00 175.10 173.98 2frm n PRO 209 N 4.99 0.65 0.22 2.72 -0.02 -1.26 -4.37 135.00 137.93 2frm n PRO 209 Ca -0.15 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 2frm n PRO 209 Cb 0.52 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 32.02 2frm n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2frm h LEU 210 N -0.19 0.00 -0.59 2.45 5.85 -1.88 -2.27 115.31 118.69 2frm h LEU 210 Ca -0.49 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.09 2frm h LEU 210 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2frm h LEU 210 CO 0.49 0.25 -0.38 0.77 -0.34 0.00 0.00 178.44 179.23 2frm h SER 210 N 0.00 0.74 0.36 1.25 4.64 -1.91 -2.68 113.55 115.94 2frm h SER 210 Ca -0.00 -0.33 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 2frm h SER 210 Cb 0.60 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2frm h SER 210 CO 0.03 1.04 -0.31 -1.28 -0.87 0.00 0.00 176.83 175.45 2frm h SER 211 N 0.57 0.00 0.73 4.97 0.87 -1.77 -2.64 113.55 116.28 2frm h SER 211 Ca 0.05 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 2frm h SER 211 Cb 0.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2frm h SER 211 CO 0.08 0.31 -0.75 -0.26 -0.53 0.00 0.00 176.83 175.67 2frm h PHE 212 N 0.00 0.02 0.04 2.24 0.05 -1.29 -1.84 116.94 116.16 2frm h PHE 212 Ca -0.00 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 2frm h PHE 212 Cb 0.57 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.51 2frm h PHE 212 CO 0.00 0.76 -0.02 0.82 -0.18 0.00 0.00 178.31 179.70 2frm h ILE 213 N 0.01 1.23 -0.71 -0.55 1.08 -1.20 0.11 117.51 117.47 2frm h ILE 213 Ca -0.01 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.67 2frm h ILE 213 Cb 1.33 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 36.83 2frm h ILE 213 CO 0.10 0.22 0.47 0.11 -0.69 0.00 0.00 178.15 178.35 2frm h LYS 214 N -0.43 0.72 0.00 2.37 1.57 -1.50 0.29 116.57 119.59 2frm h LYS 214 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2frm h LYS 214 Cb 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2frm h LYS 214 CO 0.01 0.48 0.00 1.04 -0.57 0.00 0.00 179.45 180.40 2frm n GLN 215 N -4.48 0.31 -1.51 3.15 6.02 -0.69 -4.88 117.38 115.30 2frm n GLN 215 Ca 0.10 0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 2frm n GLN 215 Cb 0.22 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 2frm n GLN 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2frm n GLY 216 N 0.77 1.04 0.09 1.08 0.00 0.10 -4.88 105.19 103.39 2frm n GLY 216 Ca 0.11 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2frm n GLY 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2frm h LEU 218 N 0.00 0.00 -7.27 0.99 3.38 -1.19 -3.46 115.31 107.75 2frm h LEU 218 Ca -0.25 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 2frm h LEU 218 Cb 0.86 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.36 2frm h LEU 218 CO 0.35 0.06 -0.25 0.27 0.09 0.00 0.00 178.44 178.96 2frm s ILE 219 N -3.26 -0.01 0.08 1.22 -4.36 -1.17 -5.01 121.20 108.69 2frm s ILE 219 Ca 0.03 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.31 2frm s ILE 219 Cb 0.11 -0.60 -0.06 0.00 1.25 0.00 0.00 42.46 43.16 2frm s ILE 219 CO 0.76 0.01 0.48 0.42 0.24 0.00 0.00 174.94 176.85 2frm s THR 220 N 0.65 4.94 0.35 8.37 -4.23 -1.26 -4.09 115.64 120.38 2frm s THR 220 Ca -0.03 0.78 0.24 0.00 -1.18 0.00 0.00 61.69 61.50 2frm s THR 220 Cb -0.05 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.30 2frm s THR 220 CO -0.04 0.38 1.70 -0.61 -0.54 0.00 0.00 174.62 175.50 2frm h GLN 221 N 4.00 0.00 0.00 3.99 5.75 -1.99 0.68 115.11 127.54 2frm h GLN 221 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 2frm h GLN 221 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2frm h GLN 221 CO 0.65 0.00 -0.66 1.49 -2.65 0.00 0.00 178.83 177.66 2frm h GLU 222 N 0.00 0.00 0.00 1.69 4.22 -2.01 -3.28 114.58 115.20 2frm h GLU 222 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 2frm h GLU 222 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2frm h GLU 222 CO 0.00 0.00 -0.57 1.96 -2.18 0.00 0.00 179.01 178.22 2frm h GLN 223 N 0.00 0.00 -0.14 1.92 4.20 -0.00 -3.20 115.11 117.89 2frm h GLN 223 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2frm h GLN 223 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2frm h GLN 223 CO 0.00 0.39 -0.35 0.82 -0.67 0.00 0.00 178.83 179.02 2frm h ILE 225 N 0.00 1.36 -0.44 2.54 2.04 -1.59 -2.49 117.51 118.93 2frm h ILE 225 Ca -0.02 -1.63 0.13 0.00 1.00 0.00 0.00 64.86 64.33 2frm h ILE 225 Cb 1.34 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 2frm h ILE 225 CO 0.05 0.49 0.34 0.44 0.00 0.00 0.00 178.15 179.47 2frm h ASP 226 N 0.10 0.00 -0.10 1.72 3.32 -1.62 0.33 116.42 120.17 2frm h ASP 226 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2frm h ASP 226 Cb 0.96 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2frm h ASP 226 CO 0.08 0.00 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.48 2frm h GLU 227 N 0.00 0.20 0.91 3.56 4.57 -1.47 0.39 114.58 122.74 2frm h GLU 227 Ca 0.21 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2frm h GLU 227 Cb 0.88 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2frm h GLU 227 CO -0.00 0.54 -0.47 0.82 -1.18 0.00 0.00 179.01 178.71 2frm h ILE 228 N -0.15 0.04 -0.87 2.32 1.08 -0.06 0.40 117.51 120.26 2frm h ILE 228 Ca 0.02 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.67 2frm h ILE 228 Cb 0.47 0.04 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 2frm h ILE 228 CO 0.01 0.00 0.57 0.58 -0.69 0.00 0.00 178.15 178.62 2frm h VAL 229 N -1.27 0.75 0.01 1.67 2.07 -0.80 0.15 116.25 118.84 2frm h VAL 229 Ca -0.12 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.02 2frm h VAL 229 Cb 0.99 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2frm h VAL 229 CO 0.18 0.09 -0.91 0.00 0.02 0.00 0.00 177.57 176.95 2frm h HIS 231 N 0.07 1.00 -0.77 0.00 6.17 0.24 -2.53 115.15 119.33 2frm h HIS 231 Ca -0.04 -0.27 0.01 0.00 0.71 0.00 0.00 60.37 60.79 2frm h HIS 231 Cb 1.57 -0.22 -0.04 0.00 2.52 0.00 0.00 27.41 31.24 2frm h HIS 231 CO 0.02 1.05 0.50 1.15 0.71 0.00 0.00 177.93 181.37 2frm h THR 232 N 0.67 1.18 0.00 6.26 2.02 -0.96 0.76 112.91 122.84 2frm h THR 232 Ca 0.08 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2frm h THR 232 Cb 0.82 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2frm h THR 232 CO 0.07 0.19 -0.23 0.03 0.37 0.00 0.00 175.52 175.95 2frm h ARG 233 N 1.02 0.00 0.00 6.66 3.08 -1.45 -3.19 114.38 120.50 2frm h ARG 233 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2frm h ARG 233 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2frm h ARG 233 CO -0.07 0.23 -0.87 -0.89 -1.07 0.00 0.00 179.97 177.29 2frm n ILE 234 N -3.28 0.00 -0.34 2.04 2.08 -0.96 -4.63 119.36 114.27 2frm n ILE 234 Ca 0.01 -0.15 0.14 0.00 0.56 0.00 0.00 62.75 63.31 2frm n ILE 234 Cb 0.50 0.90 0.27 0.00 -0.75 0.00 0.00 39.64 40.56 2frm n ILE 234 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2frm h ALA 235 N 2.18 1.12 -0.94 -1.39 0.00 0.55 0.26 119.26 121.02 2frm h ALA 235 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2frm h ALA 235 Cb 0.42 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2frm h ALA 235 CO 0.00 -0.55 0.57 0.11 0.00 0.00 0.00 179.25 179.37 2frm h TRP 236 N 0.00 1.02 -0.30 0.00 0.09 -1.82 -2.19 115.95 112.76 2frm h TRP 236 Ca 0.59 0.03 -0.18 0.00 0.09 0.00 0.00 58.89 59.42 2frm h TRP 236 Cb 1.18 -0.32 -0.00 0.00 0.08 0.00 0.00 29.16 30.11 2frm h TRP 236 CO -0.53 0.37 -0.51 -0.22 0.09 0.00 0.00 178.44 177.64 2frm h LYS 237 N 0.88 0.88 -0.94 0.12 3.11 -0.84 -0.96 116.57 118.82 2frm h LYS 237 Ca 0.48 -0.54 0.13 0.00 -2.81 0.00 0.00 60.65 57.90 2frm h LYS 237 Cb 0.52 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.72 2frm h LYS 237 CO -0.28 1.18 0.57 1.49 -2.81 0.00 0.00 179.45 179.59 2frm h GLU 238 N 0.66 0.84 0.00 1.90 4.81 -1.01 0.68 114.58 122.47 2frm h GLU 238 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2frm h GLU 238 Cb 1.12 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2frm h GLU 238 CO 0.12 0.56 -0.16 0.28 -0.73 0.00 0.00 179.01 179.08 2frm h VAL 239 N 0.87 1.59 -0.67 0.32 2.07 -1.40 -3.33 116.25 115.70 2frm h VAL 239 Ca 0.48 -1.95 0.14 0.00 0.82 0.00 0.00 66.70 66.18 2frm h VAL 239 Cb 0.53 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 33.07 2frm h VAL 239 CO -0.29 0.52 0.15 0.00 0.02 0.00 0.00 177.57 177.97 2frm h ALA 240 N 0.22 0.83 -0.41 1.67 0.00 -0.47 -1.76 119.26 119.35 2frm h ALA 240 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2frm h ALA 240 Cb 0.94 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2frm h ALA 240 CO 0.03 -0.32 0.19 -0.44 0.00 0.00 0.00 179.25 178.71 2frm h ASP 240 N 0.26 0.50 0.22 0.00 3.32 -1.01 -0.45 116.42 119.26 2frm h ASP 240 Ca 0.37 -0.04 -0.30 0.00 0.02 0.00 0.00 57.03 57.08 2frm h ASP 240 Cb 0.59 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 40.04 2frm h ASP 240 CO -0.46 0.43 -1.27 0.78 -1.72 0.00 0.00 179.24 177.00 2frm h ASN 241 N 0.57 0.80 -0.25 6.45 4.21 -1.44 -3.24 115.58 122.67 2frm h ASN 241 Ca 0.14 -0.76 -0.14 0.00 1.21 0.00 0.00 56.30 56.75 2frm h ASN 241 Cb 0.06 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 2frm h ASN 241 CO -0.02 1.57 -0.36 -0.07 -1.29 0.00 0.00 177.43 177.27 2frm h LEU 242 N 0.23 0.83 0.00 1.61 3.38 -1.33 -3.46 115.31 116.57 2frm h LEU 242 Ca -0.19 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2frm h LEU 242 Cb 1.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2frm h LEU 242 CO 0.24 1.10 0.00 0.29 0.09 0.00 0.00 178.44 180.16 2frm n LYS 243 N -4.06 0.00 0.00 1.13 5.02 -0.19 -4.49 118.16 115.57 2frm n LYS 243 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.39 2frm n LYS 243 Cb 0.51 -0.48 0.11 0.00 -0.02 0.00 0.00 35.03 35.15 2frm n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2frm n THR 243 N 0.00 0.00 -1.72 -0.18 -2.24 -1.26 -5.01 114.28 103.87 2frm n THR 243 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2frm n THR 243 Cb 0.00 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 2frm n THR 243 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2frm n GLY 244 N 1.37 2.49 3.53 3.38 0.00 -1.26 -4.95 105.19 109.74 2frm n GLY 244 Ca 0.12 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2frm n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2frm s THR 245 N -1.68 1.22 0.89 2.61 -4.23 -1.26 -4.58 115.64 108.61 2frm s THR 245 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2frm s THR 245 Cb 0.00 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2frm s THR 245 CO 0.00 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.55 2frm n ALA 246 N -0.84 -2.21 0.00 3.99 0.00 -1.26 -4.93 120.51 115.26 2frm n ALA 246 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2frm n ALA 246 Cb 0.66 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2frm n ALA 246 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2frm n TYR 247 N -3.27 0.00 0.11 0.00 0.18 -1.26 -4.84 117.16 108.08 2frm n TYR 247 Ca 0.08 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.73 2frm n TYR 247 Cb 0.52 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.40 2frm n TYR 247 CO 0.00 0.00 0.00 0.74 -2.08 0.00 0.00 176.86 175.52 2frm h PHE 248 N 0.00 -0.26 -0.19 -3.48 -1.00 -1.92 -1.42 116.94 108.67 2frm h PHE 248 Ca 0.00 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2frm h PHE 248 Cb 0.00 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2frm h PHE 248 CO 0.00 0.03 0.02 0.00 -1.61 0.00 0.00 178.31 176.75 2frm h ALA 249 N 0.18 0.25 -0.24 2.45 0.00 -1.99 -1.83 119.26 118.09 2frm h ALA 249 Ca -0.03 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2frm h ALA 249 Cb 0.41 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2frm h ALA 249 CO 0.05 -0.05 -0.21 -1.35 0.00 0.00 0.00 179.25 177.69 2frm h PRO 250 N 0.10 -0.20 -0.31 0.00 0.11 -1.88 0.39 132.00 130.21 2frm h PRO 250 Ca 0.06 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.22 2frm h PRO 250 Cb 0.35 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 2frm h PRO 250 CO 0.01 -0.13 0.08 0.00 -0.21 0.00 0.00 178.00 177.75 2frm h ALA 251 N 0.89 0.34 -0.55 -0.75 0.00 -1.23 -0.28 119.26 117.67 2frm h ALA 251 Ca 0.14 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2frm h ALA 251 Cb 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2frm h ALA 251 CO -0.36 -0.32 0.32 0.00 0.00 0.00 0.00 179.25 178.88 2frm h ALA 252 N 1.21 0.71 -0.72 0.00 0.00 -0.59 -1.74 119.26 118.14 2frm h ALA 252 Ca 0.14 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2frm h ALA 252 Cb 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2frm h ALA 252 CO -0.17 0.02 0.45 0.00 0.00 0.00 0.00 179.25 179.54 2frm h ALA 253 N 1.26 0.94 -0.10 0.00 0.00 0.43 -1.75 119.26 120.05 2frm h ALA 253 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2frm h ALA 253 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2frm h ALA 253 CO -0.12 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.36 2frm h ALA 254 N 1.31 0.09 -0.76 0.00 0.00 -0.33 -2.62 119.26 116.96 2frm h ALA 254 Ca 0.29 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2frm h ALA 254 Cb 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2frm h ALA 254 CO -0.12 -0.45 0.44 0.28 0.00 0.00 0.00 179.25 179.40 2frm h VAL 255 N 0.05 0.97 -0.96 0.00 2.07 -0.91 -0.74 116.25 116.74 2frm h VAL 255 Ca 0.04 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.37 2frm h VAL 255 Cb 0.04 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 2frm h VAL 255 CO -0.06 0.14 0.61 0.11 0.02 0.00 0.00 177.57 178.39 2frm h LYS 256 N 0.79 1.03 -0.18 1.57 1.79 -1.02 0.20 116.57 120.75 2frm h LYS 256 Ca 0.35 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 2frm h LYS 256 Cb 0.23 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2frm h LYS 256 CO -0.20 0.68 -0.00 0.52 -1.08 0.00 0.00 179.45 179.37 2frm h MET 257 N 1.06 0.32 -0.06 3.15 2.86 -0.82 -2.05 114.93 119.39 2frm h MET 257 Ca 0.43 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2frm h MET 257 Cb 0.26 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2frm h MET 257 CO -0.20 0.53 -0.00 0.00 1.06 0.00 0.00 176.91 178.30 2frm h ALA 258 N 0.78 1.88 -0.40 6.32 0.00 -0.47 -2.00 119.26 125.37 2frm h ALA 258 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2frm h ALA 258 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2frm h ALA 258 CO 0.01 0.09 -0.23 0.93 0.00 0.00 0.00 179.25 180.06 2frm h GLU 259 N 0.09 0.86 -0.94 0.00 5.08 -0.28 -1.41 114.58 117.97 2frm h GLU 259 Ca 0.02 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2frm h GLU 259 Cb 0.07 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2frm h GLU 259 CO 0.00 1.03 0.62 0.00 -1.00 0.00 0.00 179.01 179.66 2frm h ALA 260 N 0.81 1.22 0.43 3.43 0.00 -0.66 -0.92 119.26 123.57 2frm h ALA 260 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2frm h ALA 260 Cb 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2frm h ALA 260 CO 0.07 0.53 -0.21 -0.92 0.00 0.00 0.00 179.25 178.72 2frm h TYR 261 N 1.23 -0.53 -1.00 0.00 3.20 -1.39 -0.89 116.97 117.58 2frm h TYR 261 Ca 0.36 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.29 2frm h TYR 261 Cb -0.06 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 2frm h TYR 261 CO -0.01 -0.28 0.65 -0.07 -1.64 0.00 0.00 178.16 176.81 2frm h LEU 262 N -1.11 1.03 -1.41 2.82 3.38 -1.23 -1.07 115.31 117.73 2frm h LEU 262 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2frm h LEU 262 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2frm h LEU 262 CO 0.10 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.57 2frm n LYS 263 N -4.51 1.91 -4.23 1.13 4.76 -0.36 -4.92 118.16 111.94 2frm n LYS 263 Ca 0.15 -1.39 -0.36 0.00 -2.87 0.00 0.00 58.31 53.84 2frm n LYS 263 Cb 0.19 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 2frm n LYS 263 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2frm n ASP 264 N 0.61 -3.20 -0.15 4.39 2.03 -0.40 -4.81 116.55 115.01 2frm n ASP 264 Ca 0.15 -1.02 0.03 0.00 0.52 0.00 0.00 54.79 54.47 2frm n ASP 264 Cb 0.36 -2.72 0.32 0.00 -0.72 0.00 0.00 41.12 38.36 2frm n ASP 264 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2frm h LYS 265 N -1.48 0.81 -4.50 -0.67 1.57 -1.37 -3.43 116.57 107.49 2frm h LYS 265 Ca -0.59 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 57.91 2frm h LYS 265 Cb 1.38 -0.18 0.12 0.00 0.08 0.00 0.00 32.23 33.63 2frm h LYS 265 CO 0.78 0.53 -0.53 1.63 -0.57 0.00 0.00 179.45 181.30 2frm n LYS 266 N -4.45 -4.63 -3.33 3.15 5.02 0.18 -5.00 118.16 109.10 2frm n LYS 266 Ca 0.07 0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 56.69 2frm n LYS 266 Cb 0.09 -4.82 -0.02 0.00 -0.02 0.00 0.00 35.03 30.26 2frm n LYS 266 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2frm s ALA 267 N -3.25 3.66 -0.26 7.82 0.00 -0.99 -4.74 121.76 124.00 2frm s ALA 267 Ca 0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 2frm s ALA 267 Cb -0.01 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2frm s ALA 267 CO 0.50 0.07 0.94 0.08 0.00 0.00 0.00 175.76 177.36 2frm s VAL 268 N -2.24 4.72 -0.20 0.00 1.01 -1.26 -1.49 120.40 120.94 2frm s VAL 268 Ca 0.42 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 64.10 2frm s VAL 268 Cb -0.10 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.10 2frm s VAL 268 CO 0.34 -0.20 -0.02 -0.69 0.00 0.00 0.00 175.10 174.53 2frm s VAL 269 N 3.12 1.01 -0.48 2.92 1.01 0.38 -4.93 120.40 123.43 2frm s VAL 269 Ca 0.39 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2frm s VAL 269 Cb -0.15 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2frm s VAL 269 CO 0.09 -0.08 1.49 -2.16 0.00 0.00 0.00 175.10 174.44 2frm s PRO 270 N 1.65 3.37 0.11 2.72 0.04 -1.26 -1.69 135.00 139.94 2frm s PRO 270 Ca -0.02 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 2frm s PRO 270 Cb -0.17 -4.11 0.01 0.00 0.04 0.00 0.00 34.50 30.27 2frm s PRO 270 CO -0.07 -1.83 0.29 0.00 0.04 0.00 0.00 177.00 175.43 2frm s SER 272 N -2.84 5.34 0.28 0.00 0.15 -1.12 -1.48 113.70 114.03 2frm s SER 272 Ca 0.05 0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.91 2frm s SER 272 Cb 0.03 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 2frm s SER 272 CO -0.11 -2.37 -0.13 0.00 1.20 0.00 0.00 173.24 171.83 2frm s ALA 273 N 8.87 2.53 -0.37 5.45 0.00 -1.15 -1.32 121.76 135.77 2frm s ALA 273 Ca 0.65 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2frm s ALA 273 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2frm s ALA 273 CO 0.17 0.10 1.51 0.12 0.00 0.00 0.00 175.76 177.66 2frm s PHE 274 N -2.76 2.26 0.05 0.00 2.19 -1.26 -0.81 117.98 117.64 2frm s PHE 274 Ca 0.29 0.66 0.07 0.00 0.33 0.00 0.00 56.93 58.28 2frm s PHE 274 Cb -0.00 -4.22 -0.03 0.00 -1.31 0.00 0.00 43.02 37.45 2frm s PHE 274 CO 0.13 -2.26 -0.15 0.00 1.83 0.00 0.00 175.22 174.77 2frm n SER 276 N 1.39 0.00 -2.08 0.00 3.41 -1.26 -0.24 113.62 114.84 2frm n SER 276 Ca -0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.23 2frm n SER 276 Cb 0.52 0.07 0.17 0.00 -0.26 0.00 0.00 64.21 64.72 2frm n SER 276 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2frm n ASN 277 N -2.05 4.02 -3.89 4.04 0.23 -1.26 -4.37 115.26 111.98 2frm n ASN 277 Ca 0.00 -3.66 -0.11 0.00 -0.53 0.00 0.00 54.58 50.28 2frm n ASN 277 Cb 0.00 -0.82 -0.10 0.00 -2.08 0.00 0.00 39.78 36.78 2frm n ASN 277 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2frm s HIS 278 N -3.36 0.09 -1.95 -2.53 3.76 -1.26 -4.83 115.29 105.21 2frm s HIS 278 Ca 0.56 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2frm s HIS 278 Cb 0.47 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 34.08 2frm s HIS 278 CO 0.08 -0.27 0.00 0.66 -0.85 0.00 0.00 174.74 174.35 2frm n TYR 279 N 1.44 -0.65 -0.63 1.40 4.02 -1.26 -2.46 117.16 119.02 2frm n TYR 279 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 2frm n TYR 279 Cb 0.55 -3.82 0.00 0.00 -0.02 0.00 0.00 39.34 36.06 2frm n TYR 279 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2frm n GLY 280 N -0.80 0.00 3.80 2.72 0.00 -1.26 -4.91 105.19 104.74 2frm n GLY 280 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2frm n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2frm s VAL 281 N -0.63 4.42 0.00 1.61 -7.23 -1.03 -5.03 120.40 112.51 2frm s VAL 281 Ca 0.00 1.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.67 2frm s VAL 281 Cb 0.00 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2frm s VAL 281 CO 0.00 0.16 0.00 2.29 -0.31 0.00 0.00 175.10 177.24 2frm n LYS 282 N 0.59 0.00 -2.73 4.82 2.85 -1.26 -4.36 118.16 118.08 2frm n LYS 282 Ca -0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2frm n LYS 282 Cb 0.51 -0.29 0.06 0.00 -0.65 0.00 0.00 35.03 34.65 2frm n LYS 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2frm n GLY 283 N 0.00 -0.49 3.05 2.58 0.00 -1.25 -4.14 105.19 104.94 2frm n GLY 283 Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 2frm n GLY 283 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2frm n ILE 285 N 1.63 0.00 -3.22 -0.61 -0.00 0.66 -4.85 119.36 112.97 2frm n ILE 285 Ca 0.07 -2.16 -0.39 0.00 -0.00 0.00 0.00 62.75 60.27 2frm n ILE 285 Cb 0.65 0.78 -0.06 0.00 -0.00 0.00 0.00 39.64 41.01 2frm n ILE 285 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 2frm s TYR 286 N -2.94 3.83 -0.29 4.28 1.51 -1.26 0.69 117.35 123.17 2frm s TYR 286 Ca 0.19 1.34 -0.22 0.00 -1.01 0.00 0.00 57.07 57.37 2frm s TYR 286 Cb 0.01 -2.55 0.14 0.00 -0.11 0.00 0.00 41.96 39.45 2frm s TYR 286 CO 0.13 0.58 1.05 1.41 -1.11 0.00 0.00 175.55 177.61 2frm s MET 287 N -1.12 0.42 -0.25 -0.62 -2.45 0.01 -4.89 119.30 110.40 2frm s MET 287 Ca 0.30 0.57 -0.37 0.00 -1.25 0.00 0.00 55.69 54.95 2frm s MET 287 Cb -0.20 0.16 -0.13 0.00 1.25 0.00 0.00 34.83 35.91 2frm s MET 287 CO 0.20 -0.06 1.93 0.41 1.05 0.00 0.00 175.02 178.55 2frm n GLY 288 N 2.70 0.93 3.30 2.11 0.00 -1.13 -2.95 105.19 110.15 2frm n GLY 288 Ca -0.14 0.91 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 2frm n GLY 288 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2frm s VAL 289 N 4.96 0.09 -0.89 1.61 -7.23 -0.55 -1.14 120.40 117.24 2frm s VAL 289 Ca 1.00 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 60.15 2frm s VAL 289 Cb -0.88 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2frm s VAL 289 CO 0.56 -0.40 1.93 -2.84 -0.31 0.00 0.00 175.10 174.05 2frm s PRO 290 N -3.83 2.58 0.62 4.82 0.02 -1.26 -2.23 135.00 135.72 2frm s PRO 290 Ca 0.04 -0.28 -0.03 0.00 0.02 0.00 0.00 61.00 60.76 2frm s PRO 290 Cb 0.03 -5.05 0.04 0.00 0.02 0.00 0.00 34.50 29.54 2frm s PRO 290 CO -0.11 -3.33 0.89 0.95 -0.33 0.00 0.00 177.00 175.07 2frm s THR 291 N 9.95 2.60 -0.31 0.99 -4.23 -0.68 0.12 115.64 124.08 2frm s THR 291 Ca 0.69 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2frm s THR 291 Cb -0.07 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.80 2frm s THR 291 CO -0.00 -0.05 0.00 -0.63 -0.54 0.00 0.00 174.62 173.40 2frm s ILE 292 N -3.00 2.37 -0.18 2.99 -1.09 0.33 -0.47 121.20 122.16 2frm s ILE 292 Ca 0.58 -2.00 -0.14 0.00 -2.23 0.00 0.00 60.65 56.86 2frm s ILE 292 Cb -0.11 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 2frm s ILE 292 CO 0.42 -0.37 0.29 -0.63 -1.23 0.00 0.00 174.94 173.42 2frm s ILE 293 N 1.02 5.30 0.00 2.92 1.01 -0.56 -0.34 121.20 130.54 2frm s ILE 293 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2frm s ILE 293 Cb -0.20 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2frm s ILE 293 CO -0.06 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2frm n GLY 294 N 3.62 5.94 0.01 6.18 0.00 -0.42 -0.65 105.19 119.87 2frm n GLY 294 Ca -0.12 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.30 2frm n GLY 294 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2frm n LYS 295 N 0.00 0.01 -1.06 1.61 0.00 -1.25 -1.81 118.16 115.67 2frm n LYS 295 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 58.31 58.53 2frm n LYS 295 Cb 0.00 -1.53 0.16 0.00 0.00 0.00 0.00 35.03 33.66 2frm n LYS 295 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2frm n ASN 296 N -1.56 3.27 0.00 3.14 4.05 -1.26 -5.01 115.26 117.89 2frm n ASN 296 Ca 0.03 -3.80 0.00 0.00 0.45 0.00 0.00 54.58 51.26 2frm n ASN 296 Cb 0.14 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.54 2frm n ASN 296 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2frm n GLY 297 N -1.04 0.46 3.60 8.20 0.00 -0.75 -4.57 105.19 111.09 2frm n GLY 297 Ca 0.37 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2frm n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2frm s VAL 298 N 0.00 3.32 -1.72 1.61 1.01 -0.04 -1.30 120.40 123.28 2frm s VAL 298 Ca 0.00 0.31 0.21 0.00 0.00 0.00 0.00 61.98 62.50 2frm s VAL 298 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2frm s VAL 298 CO 0.00 -0.30 1.00 -0.62 0.00 0.00 0.00 175.10 175.18 2frm n GLU 299 N 8.58 1.15 -3.60 2.72 1.02 0.54 -4.72 120.64 126.32 2frm n GLU 299 Ca 0.25 -0.77 0.03 0.00 -0.02 0.00 0.00 57.16 56.65 2frm n GLU 299 Cb 0.47 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2frm n GLU 299 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2frm s ASP 301 N -2.45 -0.03 -0.01 1.62 -1.08 -1.17 -4.95 116.67 108.59 2frm s ASP 301 Ca 0.15 -0.08 0.01 0.00 -0.52 0.00 0.00 52.55 52.11 2frm s ASP 301 Cb 0.17 0.09 0.01 0.00 -1.46 0.00 0.00 42.92 41.73 2frm s ASP 301 CO 0.59 -0.17 -0.01 -0.63 0.52 0.00 0.00 175.17 175.47 2frm s ILE 302 N -2.23 0.18 -0.09 4.11 1.01 -1.26 -0.51 121.20 122.41 2frm s ILE 302 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 2frm s ILE 302 Cb 0.06 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 2frm s ILE 302 CO -0.05 0.10 0.40 -0.76 0.00 0.00 0.00 174.94 174.63 2frm s LEU 303 N 0.44 4.33 -0.59 2.97 1.02 0.32 -4.98 118.68 122.20 2frm s LEU 303 Ca -0.04 0.78 -0.13 0.00 0.02 0.00 0.00 54.13 54.75 2frm s LEU 303 Cb -0.07 -2.57 0.15 0.00 0.02 0.00 0.00 46.19 43.72 2frm s LEU 303 CO -0.01 0.14 0.52 -1.61 0.02 0.00 0.00 176.35 175.41 2frm s GLU 304 N 0.01 2.98 0.17 1.70 2.02 -1.26 -4.24 118.70 120.07 2frm s GLU 304 Ca 0.23 -1.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.00 2frm s GLU 304 Cb -0.15 -4.21 -0.07 0.00 0.10 0.00 0.00 34.13 29.79 2frm s GLU 304 CO 0.10 -1.28 1.09 -0.48 0.02 0.00 0.00 175.26 174.70 2frm s LEU 305 N 1.17 4.49 -0.84 1.80 0.05 -1.26 -4.89 118.68 119.19 2frm s LEU 305 Ca 0.07 2.06 -0.22 0.00 0.05 0.00 0.00 54.13 56.09 2frm s LEU 305 Cb -0.25 -3.60 -0.19 0.00 -2.05 0.00 0.00 46.19 40.11 2frm s LEU 305 CO -0.01 -0.21 2.27 -0.67 -0.55 0.00 0.00 176.35 177.18 2frm n ASP 306 N 2.45 0.99 -4.86 1.48 2.03 -1.26 -4.90 116.55 112.48 2frm n ASP 306 Ca 0.03 -1.46 -0.31 0.00 0.52 0.00 0.00 54.79 53.56 2frm n ASP 306 Cb 0.46 -1.43 -0.05 0.00 -0.72 0.00 0.00 41.12 39.39 2frm n ASP 306 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2frm s LEU 307 N 11.96 3.93 0.31 -2.67 2.96 -1.26 -4.83 118.68 129.09 2frm s LEU 307 Ca 0.95 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 56.15 2frm s LEU 307 Cb -0.25 -4.09 -0.02 0.00 0.50 0.00 0.00 46.19 42.34 2frm s LEU 307 CO 0.18 -0.32 0.46 0.42 -1.32 0.00 0.00 176.35 175.77 2frm s THR 308 N -2.20 4.61 0.45 3.68 -4.23 -1.26 -4.95 115.64 111.74 2frm s THR 308 Ca 0.53 -0.89 0.14 0.00 -1.18 0.00 0.00 61.69 60.30 2frm s THR 308 Cb -0.10 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.43 2frm s THR 308 CO 0.24 -0.28 2.02 1.55 -0.54 0.00 0.00 174.62 177.61 2frm h PRO 309 N 0.93 0.32 -0.23 3.99 0.13 -1.99 0.14 132.00 135.30 2frm h PRO 309 Ca -0.48 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 2frm h PRO 309 Cb 1.24 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2frm h PRO 309 CO 0.57 0.21 -0.53 1.25 -0.23 0.00 0.00 178.00 179.27 2frm h LEU 310 N 0.33 0.73 -0.76 1.56 6.46 -2.00 -2.48 115.31 119.16 2frm h LEU 310 Ca 0.22 -0.38 -0.11 0.00 -0.12 0.00 0.00 57.88 57.49 2frm h LEU 310 Cb 0.43 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2frm h LEU 310 CO -0.05 1.12 -0.51 -0.33 -0.62 0.00 0.00 178.44 178.05 2frm h GLU 311 N 0.51 0.00 0.37 1.25 5.08 -1.55 -2.97 114.58 117.27 2frm h GLU 311 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2frm h GLU 311 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2frm h GLU 311 CO 0.11 0.51 -0.18 1.96 -1.00 0.00 0.00 179.01 180.41 2frm h GLN 312 N 0.00 -0.47 -0.60 2.33 1.08 -0.52 0.50 115.11 117.43 2frm h GLN 312 Ca -0.01 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.34 2frm h GLN 312 Cb 1.06 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 28.51 2frm h GLN 312 CO 0.07 -0.22 0.15 0.87 -0.95 0.00 0.00 178.83 178.75 2frm h LYS 313 N -0.67 0.28 -0.39 1.46 1.57 -1.44 0.27 116.57 117.66 2frm h LYS 313 Ca -0.05 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2frm h LYS 313 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2frm h LYS 313 CO 0.08 0.19 0.08 -0.07 -0.57 0.00 0.00 179.45 179.16 2frm h LEU 314 N 0.29 0.60 -1.40 2.94 3.38 -1.46 -1.95 115.31 117.71 2frm h LEU 314 Ca 0.31 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2frm h LEU 314 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2frm h LEU 314 CO -0.38 0.69 0.00 0.25 0.09 0.00 0.00 178.44 179.09 2frm h LEU 315 N 0.48 0.00 0.00 1.67 5.85 0.40 -2.77 115.31 120.94 2frm h LEU 315 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2frm h LEU 315 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2frm h LEU 315 CO 0.00 0.00 -0.00 1.23 -0.34 0.00 0.00 178.44 179.33 2frm h GLY 316 N 1.28 -0.00 -0.23 3.75 0.00 0.24 -3.11 103.07 105.00 2frm h GLY 316 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 2frm h GLY 316 CO 0.00 -0.00 0.13 0.83 0.00 0.00 0.00 176.54 177.50 2frm h GLU 317 N -0.97 0.19 0.95 4.80 5.08 -1.17 0.89 114.58 124.35 2frm h GLU 317 Ca -0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2frm h GLU 317 Cb 0.90 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2frm h GLU 317 CO 0.00 0.13 -0.46 0.66 -1.00 0.00 0.00 179.01 178.34 2frm h SER 318 N 0.20 -1.09 -0.84 1.42 4.64 -1.65 0.79 113.55 117.02 2frm h SER 318 Ca 0.43 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.89 2frm h SER 318 Cb 0.78 0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 2frm h SER 318 CO -0.58 -0.77 0.55 -0.29 -0.87 0.00 0.00 176.83 174.87 2frm h ILE 319 N -1.30 0.94 -0.40 0.95 2.10 -1.38 -1.23 117.51 117.19 2frm h ILE 319 Ca -0.13 -0.27 -0.12 0.00 1.08 0.00 0.00 64.86 65.42 2frm h ILE 319 Cb 0.98 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2frm h ILE 319 CO 0.22 0.14 -0.20 0.78 -1.08 0.00 0.00 178.15 178.01 2frm h ASN 320 N 0.78 0.88 0.00 2.19 2.35 -0.72 -2.21 115.58 118.85 2frm h ASN 320 Ca 0.39 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2frm h ASN 320 Cb 0.47 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2frm h ASN 320 CO -0.16 1.09 0.00 -0.62 -1.65 0.00 0.00 177.43 176.09 2frm n GLU 321 N -4.22 0.56 0.00 0.81 1.02 0.26 -1.75 120.64 117.33 2frm n GLU 321 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 2frm n GLU 321 Cb 0.43 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 2frm n GLU 321 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2frm h VAL 322 N 0.00 0.71 0.00 2.62 2.07 -0.90 -3.26 116.25 117.48 2frm h VAL 322 Ca 0.00 -2.46 -0.04 0.00 0.82 0.00 0.00 66.70 65.02 2frm h VAL 322 Cb 0.00 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2frm h VAL 322 CO 0.00 0.79 -0.26 0.78 0.02 0.00 0.00 177.57 178.90 2frm h ASN 323 N 0.05 0.00 0.00 0.57 2.35 -1.38 -0.37 115.58 116.80 2frm h ASN 323 Ca -0.38 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 54.80 2frm h ASN 323 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2frm h ASN 323 CO 0.09 0.93 0.09 0.35 -1.65 0.00 0.00 177.43 177.24 2frm n THR 324 N -4.62 1.63 -0.02 2.81 -2.24 -0.78 -0.88 114.28 110.18 2frm n THR 324 Ca -0.11 0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 62.17 2frm n THR 324 Cb 0.37 -1.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.05 2frm n THR 324 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2frm n ILE 325 N -1.44 0.23 0.22 2.28 5.41 -1.23 -4.55 119.36 120.28 2frm n ILE 325 Ca -0.00 -0.19 0.05 0.00 1.00 0.00 0.00 62.75 63.61 2frm n ILE 325 Cb 0.09 -0.44 0.48 0.00 -0.71 0.00 0.00 39.64 39.06 2frm n ILE 325 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2frm h SER 326 N 0.00 0.00 0.00 4.38 4.64 0.80 -3.50 113.55 119.87 2frm h SER 326 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2frm h SER 326 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2frm h SER 326 CO 0.01 0.22 0.00 1.17 -0.87 0.00 0.00 176.83 177.36