#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lot s GLU 4 N 0.00 1.02 0.00 -0.67 1.03 -1.26 -5.04 118.70 113.78 1lot s GLU 4 Ca 0.00 -0.43 0.00 0.00 0.03 0.00 0.00 54.97 54.57 1lot s GLU 4 Cb 0.00 0.43 0.00 0.00 -0.80 0.00 0.00 34.13 33.76 1lot s GLU 4 CO 0.00 -0.45 0.00 2.41 -1.33 0.00 0.00 175.26 175.89 1lot n THR 5 N -0.32 0.00 -1.97 1.83 -1.04 -1.26 -5.11 114.28 106.41 1lot n THR 5 Ca -0.10 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.89 1lot n THR 5 Cb 0.62 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 1lot n THR 5 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1lot n THR 6 N 0.00 -8.37 -2.40 12.58 -1.04 -1.26 -4.81 114.28 108.97 1lot n THR 6 Ca 0.00 1.60 -0.34 0.00 -2.04 0.00 0.00 64.05 63.27 1lot n THR 6 Cb 0.00 -5.01 -0.02 0.00 -1.82 0.00 0.00 70.33 63.49 1lot n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lot s ALA 7 N -0.35 2.79 -0.04 2.41 0.00 -1.26 -4.40 121.76 120.92 1lot s ALA 7 Ca -0.10 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1lot s ALA 7 Cb 0.01 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1lot s ALA 7 CO 0.28 -0.52 0.10 -0.51 0.00 0.00 0.00 175.76 175.11 1lot s LEU 8 N -3.66 4.05 -0.19 0.00 1.02 0.71 -1.39 118.68 119.21 1lot s LEU 8 Ca 0.69 0.25 0.01 0.00 0.02 0.00 0.00 54.13 55.10 1lot s LEU 8 Cb -0.19 -2.24 0.04 0.00 0.02 0.00 0.00 46.19 43.81 1lot s LEU 8 CO 0.23 0.31 -0.13 -0.69 0.02 0.00 0.00 176.35 176.10 1lot s VAL 9 N -1.15 1.75 -0.23 -1.59 1.01 -0.85 0.01 120.40 119.35 1lot s VAL 9 Ca 0.21 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1lot s VAL 9 Cb -0.12 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1lot s VAL 9 CO 0.11 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.34 1lot s ASP 11 N 1.19 6.41 -0.49 0.00 3.68 0.17 -2.72 116.67 124.91 1lot s ASP 11 Ca -0.03 -2.13 -0.28 0.00 2.13 0.00 0.00 52.55 52.24 1lot s ASP 11 Cb -0.17 -2.21 0.01 0.00 -1.45 0.00 0.00 42.92 39.10 1lot s ASP 11 CO -0.08 -0.76 1.38 0.20 0.13 0.00 0.00 175.17 176.04 1lot s ASN 12 N 3.05 6.27 0.31 -0.34 0.01 -1.26 -1.26 114.94 121.72 1lot s ASN 12 Ca 0.09 0.51 0.07 0.00 -0.71 0.00 0.00 52.86 52.82 1lot s ASN 12 Cb -0.22 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.87 1lot s ASN 12 CO -0.02 -1.55 0.35 -0.83 -1.51 0.00 0.00 177.10 173.55 1lot s GLY 13 N 3.98 1.58 0.50 0.66 0.00 -0.85 -4.89 107.32 108.30 1lot s GLY 13 Ca 0.55 -1.49 0.29 0.00 0.00 0.00 0.00 44.72 44.07 1lot s GLY 13 CO 0.29 -1.44 1.95 1.48 0.00 0.00 0.00 173.10 175.38 1lot h SER 14 N 1.14 0.00 0.00 1.64 4.64 -1.89 -3.35 113.55 115.74 1lot h SER 14 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1lot h SER 14 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1lot h SER 14 CO 0.57 0.12 -0.81 0.61 -0.87 0.00 0.00 176.83 176.45 1lot n GLY 15 N -0.12 0.00 3.04 -0.77 0.00 -1.26 -4.67 105.19 101.40 1lot n GLY 15 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1lot n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lot s LEU 16 N -4.31 1.85 -0.16 0.99 1.43 -1.26 0.20 118.68 117.42 1lot s LEU 16 Ca 0.00 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1lot s LEU 16 Cb 0.00 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1lot s LEU 16 CO 0.00 0.09 0.13 0.54 0.23 0.00 0.00 176.35 177.35 1lot s VAL 17 N 0.09 5.45 -0.19 -1.59 0.11 0.95 -2.01 120.40 123.21 1lot s VAL 17 Ca -0.02 0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1lot s VAL 17 Cb -0.08 -3.43 -0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1lot s VAL 17 CO 0.01 0.53 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.66 1lot s LYS 18 N -0.35 3.26 -0.02 1.54 3.01 -0.39 -2.27 119.74 124.51 1lot s LYS 18 Ca 0.12 -0.70 -0.04 0.00 -1.01 0.00 0.00 55.97 54.33 1lot s LYS 18 Cb -0.12 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 1lot s LYS 18 CO 0.01 -0.11 0.10 0.00 0.51 0.00 0.00 175.35 175.86 1lot s ALA 19 N 1.16 -0.24 0.00 5.17 0.00 -0.54 0.43 121.76 127.74 1lot s ALA 19 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1lot s ALA 19 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1lot s ALA 19 CO -0.04 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1lot n GLY 20 N 2.48 1.93 3.47 0.00 0.00 -0.88 -0.25 105.19 111.94 1lot n GLY 20 Ca -0.16 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1lot n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lot s PHE 21 N -1.24 2.61 0.20 1.61 0.40 -1.26 -2.01 117.98 118.30 1lot s PHE 21 Ca 0.00 -0.22 -0.31 0.00 -0.60 0.00 0.00 56.93 55.80 1lot s PHE 21 Cb 0.00 -1.51 -0.11 0.00 0.51 0.00 0.00 43.02 41.91 1lot s PHE 21 CO 0.00 0.25 1.63 0.00 0.70 0.00 0.00 175.22 177.80 1lot s ALA 22 N -0.90 3.83 0.00 5.36 0.00 -0.49 -1.57 121.76 127.99 1lot s ALA 22 Ca 0.14 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1lot s ALA 22 Cb -0.11 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1lot s ALA 22 CO 0.05 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1lot n GLY 23 N 3.57 2.33 3.80 0.00 0.00 -1.22 -4.75 105.19 108.92 1lot n GLY 23 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1lot n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lot s ASP 24 N -0.97 6.39 0.06 1.61 -0.00 -0.61 -4.94 116.67 118.22 1lot s ASP 24 Ca 0.00 1.93 0.28 0.00 -0.00 0.00 0.00 52.55 54.75 1lot s ASP 24 Cb 0.00 -2.56 1.03 0.00 -0.00 0.00 0.00 42.92 41.39 1lot s ASP 24 CO 0.00 -0.74 1.83 0.47 -0.00 0.00 0.00 175.17 176.72 1lot n ASP 25 N -0.89 0.29 -3.61 0.27 8.00 -1.26 -4.86 116.55 114.48 1lot n ASP 25 Ca 0.09 0.45 -0.12 0.00 0.71 0.00 0.00 54.79 55.92 1lot n ASP 25 Cb 0.52 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1lot n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lot s ALA 26 N -3.03 -1.08 0.28 2.24 0.00 -1.26 -4.93 121.76 113.98 1lot s ALA 26 Ca 0.13 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1lot s ALA 26 Cb 0.17 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 1lot s ALA 26 CO 0.57 -0.60 1.45 -1.25 0.00 0.00 0.00 175.76 175.93 1lot s PRO 27 N -3.31 4.24 0.12 0.00 0.04 -1.26 -4.78 135.00 130.03 1lot s PRO 27 Ca -0.00 2.37 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 1lot s PRO 27 Cb 0.01 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1lot s PRO 27 CO -0.09 -0.44 1.51 -0.09 0.04 0.00 0.00 177.00 177.94 1lot h ARG 28 N 4.51 0.73 -5.66 4.56 9.65 -1.62 -3.45 114.38 123.10 1lot h ARG 28 Ca -0.47 -0.29 -0.49 0.00 -1.10 0.00 0.00 59.98 57.63 1lot h ARG 28 Cb 1.22 -0.04 -0.24 0.00 -1.39 0.00 0.00 29.97 29.53 1lot h ARG 28 CO 0.75 0.89 -0.81 0.00 2.80 0.00 0.00 179.97 183.60 1lot s ALA 29 N -4.73 1.42 -0.23 2.80 0.00 0.65 -5.01 121.76 116.65 1lot s ALA 29 Ca -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1lot s ALA 29 Cb 0.10 -0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.10 1lot s ALA 29 CO 0.81 0.28 0.19 0.08 0.00 0.00 0.00 175.76 177.12 1lot s VAL 30 N -0.97 -0.24 0.14 0.00 1.01 -1.26 -1.47 120.40 117.62 1lot s VAL 30 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1lot s VAL 30 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1lot s VAL 30 CO 0.02 -0.39 -0.03 0.72 0.00 0.00 0.00 175.10 175.42 1lot s PHE 31 N 2.25 1.10 0.29 5.22 -0.71 -0.96 -4.96 117.98 120.21 1lot s PHE 31 Ca 0.07 -0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 54.71 1lot s PHE 31 Cb -0.15 -0.62 -0.10 0.00 -1.21 0.00 0.00 43.02 40.93 1lot s PHE 31 CO -0.21 -0.16 1.32 -1.25 -1.34 0.00 0.00 175.22 173.57 1lot s PRO 32 N -3.87 4.36 -1.44 1.99 0.04 -1.26 -0.04 135.00 134.79 1lot s PRO 32 Ca 0.19 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 1lot s PRO 32 Cb 0.05 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 1lot s PRO 32 CO 0.01 -0.21 2.62 0.43 0.04 0.00 0.00 177.00 179.88 1lot n SER 33 N 1.36 6.78 -4.20 6.66 7.64 0.13 -3.94 113.62 128.05 1lot n SER 33 Ca 0.02 -2.60 -0.20 0.00 1.01 0.00 0.00 58.87 57.11 1lot n SER 33 Cb 0.42 -1.49 -0.12 0.00 -1.01 0.00 0.00 64.21 62.01 1lot n SER 33 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1lot s ILE 34 N 2.74 1.25 -0.08 0.44 -4.36 -1.26 -4.27 121.20 115.65 1lot s ILE 34 Ca 0.60 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.65 1lot s ILE 34 Cb 0.16 -1.18 0.01 0.00 1.25 0.00 0.00 42.46 42.69 1lot s ILE 34 CO -0.05 -0.19 -0.17 -0.69 0.24 0.00 0.00 174.94 174.07 1lot s VAL 35 N -1.27 1.54 -0.25 8.37 1.01 -0.85 -1.69 120.40 127.26 1lot s VAL 35 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1lot s VAL 35 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1lot s VAL 35 CO 0.03 0.44 0.13 -0.83 0.00 0.00 0.00 175.10 174.87 1lot s GLY 36 N 0.53 1.88 0.11 4.51 0.00 0.27 -1.98 107.32 112.64 1lot s GLY 36 Ca -0.16 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1lot s GLY 36 CO 0.06 0.49 0.07 0.50 0.00 0.00 0.00 173.10 174.22 1lot s ARG 37 N 1.40 2.79 -0.74 2.90 1.81 -0.78 -1.49 118.95 124.85 1lot s ARG 37 Ca 0.06 -0.79 -0.26 0.00 -1.72 0.00 0.00 55.73 53.02 1lot s ARG 37 Cb -0.15 -2.65 -0.15 0.00 -0.45 0.00 0.00 34.95 31.55 1lot s ARG 37 CO 0.06 0.53 2.49 -2.30 -0.68 0.00 0.00 175.30 175.40 1lot n PRO 38 N 0.24 0.55 0.00 3.54 -0.02 -1.26 0.98 135.00 139.03 1lot n PRO 38 Ca -0.09 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1lot n PRO 38 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1lot n PRO 38 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1lot n ARG 39 N 8.51 0.00 0.02 -0.52 3.00 -0.81 -4.76 116.66 122.10 1lot n ARG 39 Ca 0.51 0.05 0.11 0.00 -0.00 0.00 0.00 57.85 58.52 1lot n ARG 39 Cb 0.33 -1.55 0.02 0.00 0.00 0.00 0.00 32.46 31.26 1lot n ARG 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1lot n ASP 51 N -0.87 0.62 -4.32 6.15 9.92 -1.26 -4.94 116.55 121.86 1lot n ASP 51 Ca 0.00 -0.27 -0.26 0.00 -0.53 0.00 0.00 54.79 53.73 1lot n ASP 51 Cb 0.05 0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 41.21 1lot n ASP 51 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1lot s SER 52 N -3.81 2.78 0.12 -2.24 1.04 -1.26 -4.67 113.70 105.66 1lot s SER 52 Ca 0.04 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1lot s SER 52 Cb 0.15 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1lot s SER 52 CO 0.80 0.11 -0.10 -0.31 0.98 0.00 0.00 173.24 174.72 1lot s TYR 53 N -1.09 1.19 -0.02 5.02 2.02 -0.55 -4.95 117.35 118.96 1lot s TYR 53 Ca 0.09 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1lot s TYR 53 Cb -0.10 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1lot s TYR 53 CO 0.04 0.05 -0.03 0.08 -1.57 0.00 0.00 175.55 174.13 1lot s VAL 54 N -2.83 0.28 0.00 0.71 1.01 -1.26 0.97 120.40 119.27 1lot s VAL 54 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1lot s VAL 54 Cb -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1lot s VAL 54 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1lot n GLY 55 N 3.47 0.42 0.29 4.51 0.00 -0.68 -4.08 105.19 109.12 1lot n GLY 55 Ca -0.19 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 1lot n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lot h ASP 56 N 3.94 0.72 -0.71 1.61 3.32 -1.92 -2.36 116.42 121.01 1lot h ASP 56 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1lot h ASP 56 Cb 0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1lot h ASP 56 CO 0.00 0.47 0.33 -0.08 -1.72 0.00 0.00 179.24 178.24 1lot h GLU 57 N 0.85 1.03 -0.74 3.56 4.81 -1.98 -1.63 114.58 120.48 1lot h GLU 57 Ca 0.33 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1lot h GLU 57 Cb 0.16 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1lot h GLU 57 CO -0.17 0.82 0.44 0.00 -0.73 0.00 0.00 179.01 179.38 1lot h ALA 58 N 1.16 1.00 -0.22 2.92 0.00 -1.63 -0.67 119.26 121.81 1lot h ALA 58 Ca 0.24 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1lot h ALA 58 Cb 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1lot h ALA 58 CO -0.03 0.17 -0.09 1.96 0.00 0.00 0.00 179.25 181.26 1lot h GLN 59 N 0.83 -0.06 0.46 0.00 1.08 -0.86 -2.77 115.11 113.79 1lot h GLN 59 Ca 0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1lot h GLN 59 Cb 0.13 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1lot h GLN 59 CO -0.16 -0.04 -0.24 0.77 -0.95 0.00 0.00 178.83 178.21 1lot h SER 60 N -0.06 -0.59 -0.10 1.46 0.02 -0.43 -2.75 113.55 111.10 1lot h SER 60 Ca 0.12 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1lot h SER 60 Cb 0.24 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1lot h SER 60 CO -0.26 -0.40 0.09 0.29 -1.14 0.00 0.00 176.83 175.40 1lot n LYS 61 N -5.38 1.16 -0.05 3.45 5.02 -0.35 -4.53 118.16 117.48 1lot n LYS 61 Ca -0.11 -0.33 -0.15 0.00 -2.02 0.00 0.00 58.31 55.70 1lot n LYS 61 Cb 0.28 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 1lot n LYS 61 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1lot h ARG 62 N 0.96 -0.50 -0.52 1.97 2.43 -1.21 -2.95 114.38 114.56 1lot h ARG 62 Ca 0.06 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1lot h ARG 62 Cb 1.01 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 1lot h ARG 62 CO 0.15 -0.34 -0.24 0.78 -1.51 0.00 0.00 179.97 178.82 1lot h GLY 63 N -0.52 0.11 -2.44 2.80 0.00 -1.88 -1.48 103.07 99.66 1lot h GLY 63 Ca 0.05 0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 1lot h GLY 63 CO -0.49 -0.22 0.14 0.29 0.00 0.00 0.00 176.54 176.26 1lot n ILE 64 N -5.42 1.53 -3.95 2.60 -5.35 -1.15 -4.85 119.36 102.77 1lot n ILE 64 Ca 0.04 -0.67 -0.09 0.00 -0.27 0.00 0.00 62.75 61.77 1lot n ILE 64 Cb 0.33 -0.62 -0.09 0.00 -1.74 0.00 0.00 39.64 37.51 1lot n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1lot s LEU 65 N -1.21 1.88 -0.31 7.28 1.43 -0.56 -1.93 118.68 125.26 1lot s LEU 65 Ca 0.22 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1lot s LEU 65 Cb 0.18 0.58 0.03 0.00 0.03 0.00 0.00 46.19 47.01 1lot s LEU 65 CO 0.05 -0.55 0.06 -0.89 0.23 0.00 0.00 176.35 175.26 1lot s THR 66 N -2.95 3.58 -0.06 5.49 2.01 0.28 -4.59 115.64 119.40 1lot s THR 66 Ca -0.02 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 1lot s THR 66 Cb 0.01 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1lot s THR 66 CO -0.06 -0.05 0.98 -0.76 -0.69 0.00 0.00 174.62 174.03 1lot s LEU 67 N 1.39 4.30 -0.01 4.42 1.02 -1.26 -1.86 118.68 126.69 1lot s LEU 67 Ca -0.01 1.56 0.08 0.00 0.02 0.00 0.00 54.13 55.78 1lot s LEU 67 Cb -0.19 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.47 1lot s LEU 67 CO 0.01 -0.35 -0.25 -0.54 0.02 0.00 0.00 176.35 175.24 1lot s LYS 68 N 1.52 1.99 -0.56 1.70 1.02 -0.84 -4.98 119.74 119.59 1lot s LYS 68 Ca 0.49 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1lot s LYS 68 Cb -0.19 -1.97 0.14 0.00 -0.52 0.00 0.00 37.83 35.29 1lot s LYS 68 CO 0.22 0.53 0.34 0.71 -0.92 0.00 0.00 175.35 176.23 1lot s TYR 69 N -0.64 3.30 0.21 3.18 1.51 -1.26 -2.01 117.35 121.64 1lot s TYR 69 Ca 0.10 -2.96 0.25 0.00 -1.01 0.00 0.00 57.07 53.44 1lot s TYR 69 Cb -0.10 -3.00 1.34 0.00 -0.11 0.00 0.00 41.96 40.10 1lot s TYR 69 CO -0.00 -0.79 1.73 -1.35 -1.11 0.00 0.00 175.55 174.02 1lot h PRO 70 N 6.77 0.00 -1.96 -1.71 0.11 -1.90 -3.01 132.00 130.29 1lot h PRO 70 Ca -0.05 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.51 1lot h PRO 70 Cb 0.92 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.62 1lot h PRO 70 CO 0.70 0.00 -0.80 -0.89 -0.21 0.00 0.00 178.00 176.79 1lot n ILE 71 N -2.47 2.18 0.00 4.15 5.41 -1.26 0.44 119.36 127.81 1lot n ILE 71 Ca -0.02 -5.06 0.00 0.00 1.00 0.00 0.00 62.75 58.67 1lot n ILE 71 Cb 0.21 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1lot n ILE 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1lot n GLU 72 N -0.19 0.00 0.07 0.38 0.00 -1.14 -4.07 120.64 115.69 1lot n GLU 72 Ca 0.30 0.04 0.04 0.00 0.00 0.00 0.00 57.16 57.54 1lot n GLU 72 Cb 0.53 -1.80 0.23 0.00 0.00 0.00 0.00 31.44 30.40 1lot n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lot n GLY 74 N -0.89 -0.63 3.45 8.31 0.00 -1.26 -4.57 105.19 109.60 1lot n GLY 74 Ca 0.00 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1lot n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lot s ILE 75 N -3.20 3.45 0.03 -0.61 1.01 -1.26 -3.84 121.20 116.77 1lot s ILE 75 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1lot s ILE 75 Cb 0.02 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 1lot s ILE 75 CO 0.08 0.53 1.50 -0.63 0.00 0.00 0.00 174.94 176.41 1lot s ILE 76 N 0.10 3.45 0.00 2.92 1.01 -1.26 -4.37 121.20 123.05 1lot s ILE 76 Ca -0.04 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1lot s ILE 76 Cb -0.14 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1lot s ILE 76 CO 0.04 -0.00 0.07 0.35 0.00 0.00 0.00 174.94 175.39 1lot n THR 77 N 4.68 0.00 -3.71 2.92 -2.24 0.17 -4.94 114.28 111.16 1lot n THR 77 Ca 0.14 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1lot n THR 77 Cb 0.42 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.50 1lot n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lot s ASN 78 N -0.84 3.63 0.46 3.42 3.04 -1.24 -5.03 114.94 118.38 1lot s ASN 78 Ca 0.00 -1.33 0.25 0.00 0.04 0.00 0.00 52.86 51.81 1lot s ASN 78 Cb 0.00 -0.72 1.04 0.00 -1.54 0.00 0.00 41.25 40.03 1lot s ASN 78 CO 0.00 -0.38 1.88 -0.50 -3.04 0.00 0.00 177.10 175.06 1lot h TRP 79 N 8.18 0.00 -0.10 0.43 4.06 -1.93 -1.27 115.95 125.32 1lot h TRP 79 Ca -0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.63 1lot h TRP 79 Cb 1.05 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1lot h TRP 79 CO 0.33 0.21 -0.60 -0.44 -3.56 0.00 0.00 178.44 174.38 1lot h ASP 80 N 0.00 0.70 -0.14 -3.49 3.45 -2.00 -2.47 116.42 112.47 1lot h ASP 80 Ca -0.00 -0.66 -0.15 0.00 0.43 0.00 0.00 57.03 56.66 1lot h ASP 80 Cb 0.65 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1lot h ASP 80 CO 0.03 1.24 -0.42 0.44 -1.57 0.00 0.00 179.24 178.96 1lot h ASP 81 N 0.20 0.73 -0.93 6.45 5.19 -1.98 -2.55 116.42 123.54 1lot h ASP 81 Ca -0.05 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1lot h ASP 81 Cb 1.25 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.51 1lot h ASP 81 CO 0.12 1.06 0.54 -0.03 -3.12 0.00 0.00 179.24 177.81 1lot h MET 82 N 0.56 1.27 -0.39 3.56 4.05 -1.22 -0.58 114.93 122.17 1lot h MET 82 Ca 0.04 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1lot h MET 82 Cb 0.96 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 1lot h MET 82 CO 0.09 0.91 -0.00 0.93 0.23 0.00 0.00 176.91 179.06 1lot h GLU 83 N 1.29 0.63 -0.25 0.39 5.08 -1.31 -0.63 114.58 119.78 1lot h GLU 83 Ca 0.33 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1lot h GLU 83 Cb -0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1lot h GLU 83 CO -0.06 0.65 0.15 0.87 -1.00 0.00 0.00 179.01 179.62 1lot h LYS 84 N 0.60 0.30 0.13 2.33 1.79 -0.74 0.97 116.57 121.94 1lot h LYS 84 Ca 0.12 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1lot h LYS 84 Cb 0.38 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1lot h LYS 84 CO 0.01 0.20 -0.06 0.82 -1.08 0.00 0.00 179.45 179.34 1lot h ILE 85 N 0.31 0.93 -0.63 1.86 2.04 -0.68 -1.09 117.51 120.25 1lot h ILE 85 Ca 0.10 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1lot h ILE 85 Cb -0.01 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1lot h ILE 85 CO -0.04 0.06 0.37 -0.50 0.00 0.00 0.00 178.15 178.04 1lot h TRP 86 N -0.29 0.84 -0.15 1.37 6.55 -1.01 0.12 115.95 123.37 1lot h TRP 86 Ca -0.02 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.84 1lot h TRP 86 Cb 0.23 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 1lot h TRP 86 CO -0.03 0.58 0.02 1.25 -1.05 0.00 0.00 178.44 179.21 1lot h HIS 87 N 0.86 0.03 -0.46 0.49 2.76 -0.75 -0.96 115.15 117.10 1lot h HIS 87 Ca 0.22 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1lot h HIS 87 Cb -0.00 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1lot h HIS 87 CO -0.01 0.00 0.20 1.25 -1.30 0.00 0.00 177.93 178.06 1lot h HIS 88 N 0.07 0.35 -0.16 5.26 -0.00 -0.54 -0.71 115.15 119.43 1lot h HIS 88 Ca 0.07 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 1lot h HIS 88 Cb 0.07 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1lot h HIS 88 CO -0.14 0.15 -0.31 0.00 -0.00 0.00 0.00 177.93 177.63 1lot h THR 89 N 0.39 1.27 0.01 6.26 1.03 -0.51 -0.37 112.91 121.00 1lot h THR 89 Ca 0.21 -1.30 -0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1lot h THR 89 Cb 0.17 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1lot h THR 89 CO -0.18 0.40 -0.00 -0.26 -0.01 0.00 0.00 175.52 175.46 1lot h PHE 90 N 0.27 -0.01 0.09 0.00 0.04 -0.63 0.20 116.94 116.90 1lot h PHE 90 Ca 0.04 -0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.46 1lot h PHE 90 Cb 0.68 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.81 1lot h PHE 90 CO 0.01 0.54 -1.95 0.66 -0.60 0.00 0.00 178.31 176.98 1lot n TYR 91 N -4.83 1.15 -0.09 -0.55 4.01 -0.32 -0.14 117.16 116.40 1lot n TYR 91 Ca -0.09 0.28 -0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1lot n TYR 91 Cb 0.28 -1.16 -0.05 0.00 -0.31 0.00 0.00 39.34 38.10 1lot n TYR 91 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1lot n ASN 92 N -3.36 1.84 0.09 7.72 5.03 -0.20 -3.59 115.26 122.79 1lot n ASN 92 Ca -0.29 0.53 -0.04 0.00 0.87 0.00 0.00 54.58 55.66 1lot n ASN 92 Cb 1.05 -0.88 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 1lot n ASN 92 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1lot h GLU 93 N -1.00 -0.23 0.00 3.52 4.39 -1.47 -3.33 114.58 116.46 1lot h GLU 93 Ca -0.13 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1lot h GLU 93 Cb 0.83 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1lot h GLU 93 CO -0.08 -0.16 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.36 1lot h LEU 94 N -0.34 0.00 -2.04 1.33 3.38 -0.73 -3.48 115.31 113.43 1lot h LEU 94 Ca -0.02 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1lot h LEU 94 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1lot h LEU 94 CO 0.04 0.18 -0.87 0.54 0.09 0.00 0.00 178.44 178.42 1lot n ARG 95 N -3.21 -3.56 -4.62 1.13 1.74 -0.55 -4.97 116.66 102.63 1lot n ARG 95 Ca 0.02 0.49 -0.28 0.00 -0.77 0.00 0.00 57.85 57.30 1lot n ARG 95 Cb 0.51 -4.70 -0.09 0.00 -1.02 0.00 0.00 32.46 27.17 1lot n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1lot s VAL 96 N -3.80 1.09 -0.37 1.55 -7.23 0.81 -4.97 120.40 107.47 1lot s VAL 96 Ca 0.06 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1lot s VAL 96 Cb -0.02 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.55 1lot s VAL 96 CO 0.86 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.81 1lot s ALA 97 N -3.02 3.13 0.51 1.32 0.00 -1.26 -4.36 121.76 118.08 1lot s ALA 97 Ca 0.20 -1.88 0.21 0.00 0.00 0.00 0.00 51.96 50.48 1lot s ALA 97 Cb 0.04 -2.40 1.30 0.00 0.00 0.00 0.00 23.12 22.06 1lot s ALA 97 CO 0.11 -1.44 2.02 -1.00 0.00 0.00 0.00 175.76 175.45 1lot h PRO 98 N 8.28 0.08 0.00 0.00 0.13 -1.90 -2.63 132.00 135.95 1lot h PRO 98 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1lot h PRO 98 Cb 1.08 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1lot h PRO 98 CO 0.65 0.05 0.15 0.93 -0.23 0.00 0.00 178.00 179.55 1lot h GLU 99 N 0.08 0.00 -0.02 0.86 3.07 -1.66 -2.24 114.58 114.67 1lot h GLU 99 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1lot h GLU 99 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1lot h GLU 99 CO -0.02 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 176.74 1lot n GLU 100 N -2.87 1.68 -4.01 2.33 0.28 -0.99 -3.84 120.64 113.22 1lot n GLU 100 Ca -0.02 -2.41 -0.28 0.00 -0.16 0.00 0.00 57.16 54.29 1lot n GLU 100 Cb 0.20 -1.43 -0.17 0.00 1.43 0.00 0.00 31.44 31.47 1lot n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1lot s HIS 101 N -2.54 1.73 0.34 -1.84 3.76 -0.84 -4.86 115.29 111.03 1lot s HIS 101 Ca 0.27 -0.89 -0.28 0.00 -0.15 0.00 0.00 55.06 54.01 1lot s HIS 101 Cb 0.23 -1.35 -0.10 0.00 1.11 0.00 0.00 32.58 32.47 1lot s HIS 101 CO 0.03 -0.55 1.32 -2.14 -0.85 0.00 0.00 174.74 172.55 1lot s PRO 102 N 1.54 4.29 -0.13 8.40 0.02 -1.26 -4.32 135.00 143.55 1lot s PRO 102 Ca 0.03 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.31 1lot s PRO 102 Cb -0.13 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1lot s PRO 102 CO -0.08 -0.25 -0.18 0.99 -0.33 0.00 0.00 177.00 177.15 1lot s THR 103 N -1.15 1.75 -0.25 0.99 2.01 -0.44 -0.21 115.64 118.35 1lot s THR 103 Ca 0.50 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 1lot s THR 103 Cb -0.40 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1lot s THR 103 CO 0.53 0.49 0.31 -0.22 -0.69 0.00 0.00 174.62 175.04 1lot s LEU 104 N 0.95 4.08 0.24 4.42 0.20 0.10 -1.51 118.68 127.17 1lot s LEU 104 Ca -0.06 0.27 0.07 0.00 0.69 0.00 0.00 54.13 55.10 1lot s LEU 104 Cb -0.15 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.24 1lot s LEU 104 CO -0.03 -0.08 0.14 -0.76 -0.29 0.00 0.00 176.35 175.33 1lot s LEU 105 N 1.60 3.66 0.18 -0.68 1.43 0.19 -0.62 118.68 124.44 1lot s LEU 105 Ca 0.13 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1lot s LEU 105 Cb -0.15 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1lot s LEU 105 CO 0.08 -0.02 -0.23 0.42 0.23 0.00 0.00 176.35 176.84 1lot s THR 106 N -2.13 2.43 0.06 5.49 -4.23 -1.10 -0.09 115.64 116.07 1lot s THR 106 Ca 0.32 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1lot s THR 106 Cb -0.08 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 1lot s THR 106 CO 0.23 -0.09 0.04 -1.83 -0.54 0.00 0.00 174.62 172.43 1lot s GLU 107 N -2.62 0.67 0.74 3.99 -1.05 -0.08 -4.51 118.70 115.84 1lot s GLU 107 Ca 0.20 -1.10 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 1lot s GLU 107 Cb -0.08 0.25 0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1lot s GLU 107 CO 0.10 -0.15 1.08 0.00 0.95 0.00 0.00 175.26 177.23 1lot s ALA 108 N -3.76 2.45 0.53 -0.84 0.00 -1.25 -1.10 121.76 117.80 1lot s ALA 108 Ca 0.05 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 1lot s ALA 108 Cb 0.06 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1lot s ALA 108 CO -0.10 -1.50 1.20 -2.14 0.00 0.00 0.00 175.76 173.22 1lot s PRO 109 N -5.00 3.33 -1.58 0.00 0.02 -1.26 -2.70 135.00 127.80 1lot s PRO 109 Ca 0.60 1.83 -0.03 0.00 0.02 0.00 0.00 61.00 63.42 1lot s PRO 109 Cb -0.15 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1lot s PRO 109 CO 0.55 -0.92 0.38 1.28 -0.33 0.00 0.00 177.00 177.96 1lot n LEU 110 N -1.09 -2.40 -4.70 -5.54 4.77 -1.26 -4.94 117.00 101.84 1lot n LEU 110 Ca 0.11 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 1lot n LEU 110 Cb 0.49 -2.87 -0.03 0.00 -2.33 0.00 0.00 43.42 38.67 1lot n LEU 110 CO 0.46 0.07 0.92 0.21 -1.33 0.00 0.00 177.39 177.73 1lot s ASN 111 N -2.50 7.07 0.30 -1.43 3.04 -1.10 -4.96 114.94 115.35 1lot s ASN 111 Ca 0.19 1.91 -0.29 0.00 0.04 0.00 0.00 52.86 54.71 1lot s ASN 111 Cb -0.08 -2.57 -0.13 0.00 -1.54 0.00 0.00 41.25 36.93 1lot s ASN 111 CO 0.24 -0.53 1.31 -2.65 -3.04 0.00 0.00 177.10 172.43 1lot n PRO 112 N 4.62 2.04 -0.20 0.43 -0.02 -1.26 -4.82 135.00 135.79 1lot n PRO 112 Ca 0.10 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1lot n PRO 112 Cb 0.46 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1lot n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1lot h LYS 113 N 3.13 0.05 -0.88 -0.52 1.57 -2.00 -1.06 116.57 116.85 1lot h LYS 113 Ca -0.45 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1lot h LYS 113 Cb 1.28 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 1lot h LYS 113 CO 0.67 0.03 0.57 0.00 -0.57 0.00 0.00 179.45 180.16 1lot h ALA 114 N 1.58 1.54 -0.28 3.86 0.00 -1.99 -0.38 119.26 123.58 1lot h ALA 114 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1lot h ALA 114 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lot h ALA 114 CO -0.57 0.33 0.08 -0.97 0.00 0.00 0.00 179.25 178.12 1lot h ASN 115 N 0.99 0.43 -0.14 0.00 -0.00 -1.58 -0.71 115.58 114.56 1lot h ASN 115 Ca 0.38 -0.22 -0.01 0.00 -0.00 0.00 0.00 56.30 56.45 1lot h ASN 115 Cb 0.20 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 1lot h ASN 115 CO -0.14 0.54 0.07 -0.09 -0.00 0.00 0.00 177.43 177.80 1lot h ARG 116 N 0.30 0.20 -0.86 6.67 2.43 -0.67 -1.86 114.38 120.59 1lot h ARG 116 Ca 0.09 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1lot h ARG 116 Cb 0.27 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1lot h ARG 116 CO -0.00 0.26 0.56 0.93 -1.51 0.00 0.00 179.97 180.21 1lot h GLU 117 N 0.09 0.90 -0.10 0.20 5.08 -0.96 -1.04 114.58 118.75 1lot h GLU 117 Ca 0.05 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1lot h GLU 117 Cb 0.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1lot h GLU 117 CO -0.01 0.60 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.04 1lot h LYS 118 N 0.93 0.20 -0.34 2.33 1.63 -0.69 -0.22 116.57 120.41 1lot h LYS 118 Ca 0.37 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.98 1lot h LYS 118 Cb 0.26 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1lot h LYS 118 CO -0.14 0.52 -0.26 0.52 -3.45 0.00 0.00 179.45 176.64 1lot h MET 119 N 0.17 0.69 -0.18 1.90 2.86 -0.40 -1.65 114.93 118.32 1lot h MET 119 Ca 0.02 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1lot h MET 119 Cb 0.69 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1lot h MET 119 CO 0.05 0.88 -0.07 1.15 1.06 0.00 0.00 176.91 179.97 1lot h THR 120 N 0.60 1.30 0.22 2.22 2.02 -0.84 -1.49 112.91 116.94 1lot h THR 120 Ca 0.08 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1lot h THR 120 Cb 0.75 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 1lot h THR 120 CO 0.06 0.33 -0.46 -0.61 0.37 0.00 0.00 175.52 175.21 1lot h GLN 121 N 0.05 -0.73 -0.83 6.66 4.15 -0.88 -1.79 115.11 121.74 1lot h GLN 121 Ca 0.04 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.62 1lot h GLN 121 Cb 0.54 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.32 1lot h GLN 121 CO 0.02 -0.49 0.45 0.82 -1.93 0.00 0.00 178.83 177.71 1lot h ILE 122 N -0.76 0.85 -0.19 2.39 2.04 -1.31 0.16 117.51 120.70 1lot h ILE 122 Ca -0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1lot h ILE 122 Cb 0.74 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1lot h ILE 122 CO -0.20 0.13 0.11 0.24 0.00 0.00 0.00 178.15 178.43 1lot h MET 123 N 0.73 0.23 0.10 2.37 2.86 -0.65 -1.67 114.93 118.90 1lot h MET 123 Ca 0.42 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.80 1lot h MET 123 Cb 0.46 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.09 1lot h MET 123 CO -0.29 0.15 -1.02 0.74 1.06 0.00 0.00 176.91 177.55 1lot h PHE 124 N 0.24 0.84 0.00 -0.22 0.04 -0.98 -2.73 116.94 114.13 1lot h PHE 124 Ca 0.07 -0.53 -0.16 0.00 2.80 0.00 0.00 57.97 60.15 1lot h PHE 124 Cb -0.01 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1lot h PHE 124 CO -0.07 1.38 -0.89 0.93 -0.60 0.00 0.00 178.31 179.05 1lot h GLU 125 N 0.06 0.00 0.00 1.51 5.08 -0.71 -2.39 114.58 118.14 1lot h GLU 125 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1lot h GLU 125 Cb 1.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 1lot h GLU 125 CO 0.20 0.63 -1.56 -2.37 -1.00 0.00 0.00 179.01 174.90 1lot n THR 126 N -3.20 0.05 0.08 1.13 5.66 -0.63 -4.62 114.28 112.75 1lot n THR 126 Ca -0.02 -0.29 0.01 0.00 -3.05 0.00 0.00 64.05 60.71 1lot n THR 126 Cb 0.84 0.17 0.01 0.00 -1.55 0.00 0.00 70.33 69.80 1lot n THR 126 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1lot n PHE 127 N -1.95 0.00 -3.95 1.09 3.72 -1.21 -5.04 117.46 110.12 1lot n PHE 127 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1lot n PHE 127 Cb 0.34 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1lot n PHE 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1lot n ASN 128 N 0.02 -3.63 -4.77 4.37 4.13 -0.90 -3.51 115.26 110.97 1lot n ASN 128 Ca 0.01 -1.06 -0.39 0.00 1.68 0.00 0.00 54.58 54.82 1lot n ASN 128 Cb 0.05 -1.35 -0.06 0.00 -1.54 0.00 0.00 39.78 36.87 1lot n ASN 128 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1lot s VAL 129 N -3.54 4.17 0.41 2.41 -7.23 -1.12 -3.85 120.40 111.64 1lot s VAL 129 Ca 0.33 1.92 0.08 0.00 -1.81 0.00 0.00 61.98 62.50 1lot s VAL 129 Cb -0.19 -4.17 0.23 0.00 0.56 0.00 0.00 36.38 32.82 1lot s VAL 129 CO 0.82 0.35 2.02 1.55 -0.31 0.00 0.00 175.10 179.54 1lot h PRO 130 N 3.76 0.43 -2.99 4.82 0.13 -1.75 -3.42 132.00 132.98 1lot h PRO 130 Ca -0.46 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1lot h PRO 130 Cb 1.20 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1lot h PRO 130 CO 0.67 0.35 0.25 0.00 -0.23 0.00 0.00 178.00 179.04 1lot s ALA 131 N -5.26 -1.02 0.04 -0.56 0.00 -1.26 -1.31 121.76 112.39 1lot s ALA 131 Ca -0.07 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1lot s ALA 131 Cb 0.17 0.77 0.10 0.00 0.00 0.00 0.00 23.12 24.16 1lot s ALA 131 CO 0.73 -1.02 1.21 0.00 0.00 0.00 0.00 175.76 176.68 1lot s MET 132 N -3.21 0.65 -0.11 0.00 0.23 -0.20 -1.32 119.30 115.33 1lot s MET 132 Ca 0.13 -0.40 -0.30 0.00 -1.03 0.00 0.00 55.69 54.09 1lot s MET 132 Cb -0.06 0.19 0.08 0.00 -1.53 0.00 0.00 34.83 33.51 1lot s MET 132 CO 0.09 -0.30 0.72 -0.47 -2.03 0.00 0.00 175.02 173.03 1lot s TYR 133 N -2.23 -0.66 -0.18 3.16 5.04 -0.57 -0.17 117.35 121.74 1lot s TYR 133 Ca 0.23 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1lot s TYR 133 Cb 0.00 0.38 0.01 0.00 0.35 0.00 0.00 41.96 42.70 1lot s TYR 133 CO 0.00 -0.53 -0.16 0.08 -1.34 0.00 0.00 175.55 173.60 1lot s VAL 134 N -0.82 2.49 0.10 3.14 1.01 -1.26 0.57 120.40 125.63 1lot s VAL 134 Ca -0.08 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1lot s VAL 134 Cb -0.01 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1lot s VAL 134 CO 0.07 0.51 -0.25 0.00 0.00 0.00 0.00 175.10 175.43 1lot s ALA 135 N 1.13 2.42 -0.14 5.51 0.00 0.88 -4.96 121.76 126.59 1lot s ALA 135 Ca 0.01 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 1lot s ALA 135 Cb -0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1lot s ALA 135 CO -0.06 0.55 1.49 0.42 0.00 0.00 0.00 175.76 178.16 1lot s ILE 136 N -1.01 3.88 0.21 0.00 1.01 -1.26 -0.90 121.20 123.12 1lot s ILE 136 Ca 0.14 1.05 -0.18 0.00 0.00 0.00 0.00 60.65 61.67 1lot s ILE 136 Cb -0.10 -3.73 0.19 0.00 0.01 0.00 0.00 42.46 38.83 1lot s ILE 136 CO 0.06 -0.15 1.59 1.56 0.00 0.00 0.00 174.94 178.00 1lot h GLN 137 N 9.27 -0.09 -0.63 2.79 4.20 -1.43 -2.15 115.11 127.07 1lot h GLN 137 Ca -0.33 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1lot h GLN 137 Cb 1.14 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 1lot h GLN 137 CO 0.97 -0.06 0.37 0.00 -0.67 0.00 0.00 178.83 179.44 1lot h ALA 138 N 1.28 1.47 -0.60 3.87 0.00 -1.92 -2.33 119.26 121.03 1lot h ALA 138 Ca 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1lot h ALA 138 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1lot h ALA 138 CO -0.73 0.46 0.04 0.28 0.00 0.00 0.00 179.25 179.30 1lot h VAL 139 N 0.87 1.26 -0.74 0.00 2.07 -1.80 -2.56 116.25 115.36 1lot h VAL 139 Ca 0.23 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1lot h VAL 139 Cb -0.02 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1lot h VAL 139 CO -0.04 0.40 0.49 -0.07 0.02 0.00 0.00 177.57 178.36 1lot h LEU 140 N 0.94 0.83 -0.83 2.57 3.38 -1.17 -1.09 115.31 119.93 1lot h LEU 140 Ca 0.18 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1lot h LEU 140 Cb 0.50 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1lot h LEU 140 CO 0.02 0.59 0.53 0.28 0.09 0.00 0.00 178.44 179.96 1lot h SER 141 N 0.97 0.87 -0.12 -0.43 0.02 -1.09 0.14 113.55 113.91 1lot h SER 141 Ca 0.27 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1lot h SER 141 Cb -0.08 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1lot h SER 141 CO -0.06 0.59 -0.02 0.25 -1.14 0.00 0.00 176.83 176.45 1lot h LEU 142 N 1.02 0.23 -0.87 5.07 5.85 -1.13 -2.98 115.31 122.50 1lot h LEU 142 Ca 0.34 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1lot h LEU 142 Cb 0.04 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1lot h LEU 142 CO -0.13 0.53 0.51 1.88 -0.34 0.00 0.00 178.44 180.89 1lot h TYR 143 N -0.08 0.91 0.00 1.25 0.99 -0.70 0.52 116.97 119.88 1lot h TYR 143 Ca 0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1lot h TYR 143 Cb 0.43 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 37.88 1lot h TYR 143 CO 0.05 0.35 0.23 0.00 -0.00 0.00 0.00 178.16 178.78 1lot h ALA 144 N 1.49 1.16 -0.16 3.88 0.00 -0.58 0.32 119.26 125.37 1lot h ALA 144 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1lot h ALA 144 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lot h ALA 144 CO -0.27 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.25 1lot n SER 145 N -2.23 3.18 -1.13 0.00 7.64 0.17 -4.91 113.62 116.34 1lot n SER 145 Ca -0.01 -2.00 -0.07 0.00 1.01 0.00 0.00 58.87 57.80 1lot n SER 145 Cb 0.25 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 1lot n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lot n GLY 146 N 1.41 0.36 3.03 0.23 0.00 0.11 -5.04 105.19 105.30 1lot n GLY 146 Ca 0.16 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1lot n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lot s ARG 147 N -4.97 0.45 0.00 1.61 3.00 -1.22 -5.05 118.95 112.78 1lot s ARG 147 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 55.73 54.95 1lot s ARG 147 Cb -0.05 0.16 0.00 0.00 0.00 0.00 0.00 34.95 35.06 1lot s ARG 147 CO 0.13 -0.08 0.36 0.25 0.00 0.00 0.00 175.30 175.96 1lot n THR 148 N 0.90 0.00 -4.37 0.02 -2.24 -1.26 -3.19 114.28 104.14 1lot n THR 148 Ca -0.19 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 1lot n THR 148 Cb 0.58 1.18 -0.15 0.00 -2.10 0.00 0.00 70.33 69.84 1lot n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1lot s THR 149 N -0.07 0.76 0.00 4.28 2.01 -1.26 -1.22 115.64 120.14 1lot s THR 149 Ca 0.00 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1lot s THR 149 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1lot s THR 149 CO 0.00 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1lot n GLY 150 N 3.32 0.16 3.34 4.40 0.00 -0.40 -4.86 105.19 111.15 1lot n GLY 150 Ca -0.18 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1lot n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1lot s ILE 151 N -1.85 2.74 -0.10 -0.61 2.07 -0.80 -0.10 121.20 122.56 1lot s ILE 151 Ca 0.00 -0.79 -0.01 0.00 -1.41 0.00 0.00 60.65 58.44 1lot s ILE 151 Cb 0.00 -2.11 -0.03 0.00 0.13 0.00 0.00 42.46 40.45 1lot s ILE 151 CO 0.00 0.55 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.84 1lot s VAL 152 N 0.13 3.85 -0.36 4.00 1.01 0.16 -1.39 120.40 127.81 1lot s VAL 152 Ca -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1lot s VAL 152 Cb -0.15 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1lot s VAL 152 CO 0.05 0.57 0.14 -0.22 0.00 0.00 0.00 175.10 175.65 1lot s LEU 153 N -0.50 4.62 -0.19 3.92 1.98 -0.09 -0.38 118.68 128.04 1lot s LEU 153 Ca 0.08 -1.45 -0.04 0.00 -2.89 0.00 0.00 54.13 49.83 1lot s LEU 153 Cb -0.12 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.86 1lot s LEU 153 CO 0.02 -0.41 -0.03 -0.62 -1.89 0.00 0.00 176.35 173.42 1lot s ASP 154 N 1.63 4.65 -0.17 3.68 3.68 -0.01 -1.34 116.67 128.78 1lot s ASP 154 Ca 0.01 -0.23 -0.04 0.00 2.13 0.00 0.00 52.55 54.41 1lot s ASP 154 Cb -0.21 -1.78 0.06 0.00 -1.45 0.00 0.00 42.92 39.54 1lot s ASP 154 CO 0.00 0.08 0.08 -0.55 0.13 0.00 0.00 175.17 174.91 1lot s SER 155 N 0.90 2.46 0.00 -0.34 0.15 -0.49 -0.27 113.70 116.11 1lot s SER 155 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1lot s SER 155 Cb -0.14 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1lot s SER 155 CO 0.01 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1lot n GLY 156 N 5.23 2.61 0.12 9.45 0.00 -0.89 -2.06 105.19 119.65 1lot n GLY 156 Ca -0.07 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1lot n GLY 156 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lot h ASP 157 N 0.00 0.53 -0.00 1.61 -0.00 -1.94 0.19 116.42 116.81 1lot h ASP 157 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 57.03 56.09 1lot h ASP 157 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.16 1lot h ASP 157 CO 0.00 1.47 -0.24 0.61 -0.00 0.00 0.00 179.24 181.09 1lot n GLY 158 N 1.69 0.12 3.42 -0.78 0.00 -1.26 -0.16 105.19 108.22 1lot n GLY 158 Ca -0.16 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1lot n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lot s VAL 159 N -1.38 0.02 -0.04 1.61 0.11 -1.26 -4.59 120.40 114.87 1lot s VAL 159 Ca 0.04 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1lot s VAL 159 Cb 0.05 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1lot s VAL 159 CO 0.23 -0.10 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.83 1lot s THR 160 N -1.99 1.49 0.08 5.04 2.01 -0.64 -2.10 115.64 119.54 1lot s THR 160 Ca -0.08 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1lot s THR 160 Cb -0.01 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1lot s THR 160 CO 0.02 0.43 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.30 1lot s HIS 161 N -0.08 0.89 -0.12 4.92 3.76 0.63 0.04 115.29 125.32 1lot s HIS 161 Ca -0.01 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1lot s HIS 161 Cb -0.11 -0.51 0.02 0.00 1.11 0.00 0.00 32.58 33.09 1lot s HIS 161 CO 0.02 -0.08 -0.16 -0.80 -0.85 0.00 0.00 174.74 172.87 1lot s ASN 162 N -2.51 2.58 -0.17 1.40 -0.87 -0.26 -0.83 114.94 114.28 1lot s ASN 162 Ca 0.05 -0.46 -0.01 0.00 -1.57 0.00 0.00 52.86 50.87 1lot s ASN 162 Cb -0.01 -1.15 0.04 0.00 -0.02 0.00 0.00 41.25 40.11 1lot s ASN 162 CO -0.02 0.00 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.79 1lot s VAL 163 N 1.11 1.02 0.01 1.60 1.01 0.48 -1.90 120.40 123.73 1lot s VAL 163 Ca -0.03 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 1lot s VAL 163 Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1lot s VAL 163 CO -0.04 0.07 0.82 -2.84 0.00 0.00 0.00 175.10 173.11 1lot s PRO 164 N 1.66 4.52 -0.04 2.72 0.02 -1.26 -0.66 135.00 141.96 1lot s PRO 164 Ca 0.00 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.18 1lot s PRO 164 Cb -0.16 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.96 1lot s PRO 164 CO -0.07 0.12 -0.08 0.42 -0.33 0.00 0.00 177.00 177.05 1lot s ILE 165 N 0.49 0.77 -0.19 2.83 1.01 0.85 -1.60 121.20 125.36 1lot s ILE 165 Ca 0.43 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1lot s ILE 165 Cb -0.20 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1lot s ILE 165 CO 0.23 0.25 -0.13 -0.47 0.00 0.00 0.00 174.94 174.83 1lot s TYR 166 N 0.42 2.49 -1.70 3.97 5.04 0.20 -1.28 117.35 126.49 1lot s TYR 166 Ca -0.07 -1.56 -0.18 0.00 -2.44 0.00 0.00 57.07 52.82 1lot s TYR 166 Cb -0.11 -1.70 0.15 0.00 0.35 0.00 0.00 41.96 40.65 1lot s TYR 166 CO 0.01 -0.75 0.78 0.39 -1.34 0.00 0.00 175.55 174.64 1lot n GLU 167 N 4.68 -3.16 0.00 4.97 -0.58 -0.85 0.22 120.64 125.91 1lot n GLU 167 Ca -0.16 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1lot n GLU 167 Cb 0.48 -5.08 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 1lot n GLU 167 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lot n GLY 168 N -1.42 1.67 3.59 0.62 0.00 -0.36 -5.02 105.19 104.28 1lot n GLY 168 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1lot n GLY 168 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lot s TYR 169 N -2.34 3.23 -0.32 1.61 5.04 0.13 -5.04 117.35 119.67 1lot s TYR 169 Ca 0.00 0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.81 1lot s TYR 169 Cb 0.00 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.55 1lot s TYR 169 CO 0.00 -0.37 0.74 0.00 -1.34 0.00 0.00 175.55 174.58 1lot s ALA 170 N 2.28 3.50 -0.63 3.97 0.00 -1.26 0.60 121.76 130.22 1lot s ALA 170 Ca 0.19 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 1lot s ALA 170 Cb -0.16 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1lot s ALA 170 CO 0.11 -1.24 1.70 -0.51 0.00 0.00 0.00 175.76 175.81 1lot s LEU 171 N 2.89 3.27 0.22 0.00 1.02 -0.63 -4.90 118.68 120.55 1lot s LEU 171 Ca 0.30 0.16 -0.11 0.00 0.02 0.00 0.00 54.13 54.50 1lot s LEU 171 Cb -0.14 -2.58 0.30 0.00 0.02 0.00 0.00 46.19 43.79 1lot s LEU 171 CO 0.13 -2.20 1.63 1.55 0.02 0.00 0.00 176.35 177.48 1lot h PRO 172 N 13.54 0.04 0.00 1.29 0.13 -1.94 -0.80 132.00 144.26 1lot h PRO 172 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1lot h PRO 172 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1lot h PRO 172 CO 1.23 0.03 0.00 -2.39 -0.23 0.00 0.00 178.00 176.63 1lot n HIS 173 N -5.40 0.00 0.61 1.56 1.44 -1.26 -1.65 115.22 110.52 1lot n HIS 173 Ca 0.09 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.87 1lot n HIS 173 Cb 0.37 -0.29 0.01 0.00 0.12 0.00 0.00 29.99 30.20 1lot n HIS 173 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1lot n ALA 174 N -1.29 2.89 -1.91 1.59 0.00 -0.32 -4.98 120.51 116.50 1lot n ALA 174 Ca 0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1lot n ALA 174 Cb 0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1lot n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lot s ILE 175 N -1.57 3.09 -0.15 0.00 1.01 -0.66 -4.51 121.20 118.42 1lot s ILE 175 Ca 0.13 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1lot s ILE 175 Cb 0.11 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1lot s ILE 175 CO 0.30 0.18 -0.19 -0.32 0.00 0.00 0.00 174.94 174.91 1lot s MET 176 N -0.74 3.09 -0.17 2.79 1.75 -0.80 -4.98 119.30 120.24 1lot s MET 176 Ca 0.53 -0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1lot s MET 176 Cb -0.37 -2.52 -0.01 0.00 2.84 0.00 0.00 34.83 34.78 1lot s MET 176 CO 0.43 -0.02 -0.12 0.50 -0.65 0.00 0.00 175.02 175.16 1lot s ARG 177 N 0.86 3.30 -0.21 4.11 3.52 -1.26 -1.10 118.95 128.16 1lot s ARG 177 Ca -0.05 -0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1lot s ARG 177 Cb -0.15 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1lot s ARG 177 CO -0.02 -0.01 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.16 1lot s LEU 178 N 0.92 2.67 -1.50 -0.88 2.96 0.11 -5.01 118.68 117.94 1lot s LEU 178 Ca -0.02 -0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 1lot s LEU 178 Cb -0.15 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1lot s LEU 178 CO -0.01 -0.05 2.52 0.47 -1.32 0.00 0.00 176.35 177.96 1lot n ASP 179 N 4.65 5.89 -3.65 3.68 10.43 -1.26 -1.61 116.55 134.67 1lot n ASP 179 Ca -0.19 -2.71 -0.02 0.00 2.57 0.00 0.00 54.79 54.44 1lot n ASP 179 Cb 0.49 -1.59 -0.05 0.00 1.84 0.00 0.00 41.12 41.81 1lot n ASP 179 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1lot s LEU 180 N 1.28 -1.11 0.00 0.64 0.20 -1.26 -5.02 118.68 113.41 1lot s LEU 180 Ca 0.57 1.57 0.00 0.00 0.69 0.00 0.00 54.13 56.95 1lot s LEU 180 Cb 0.16 2.32 0.00 0.00 -0.43 0.00 0.00 46.19 48.24 1lot s LEU 180 CO -0.07 -0.22 0.00 0.00 -0.29 0.00 0.00 176.35 175.77 1lot n ALA 181 N 5.24 0.00 -0.33 5.97 0.00 -1.26 -3.96 120.51 126.17 1lot n ALA 181 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1lot n ALA 181 Cb 0.51 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.09 1lot n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lot n GLY 182 N 0.00 -1.53 0.33 0.00 0.00 0.66 -0.40 105.19 104.25 1lot n GLY 182 Ca 0.00 0.98 0.08 0.00 0.00 0.00 0.00 46.02 47.08 1lot n GLY 182 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lot h ARG 183 N 0.00 0.74 -0.16 1.61 2.43 -0.79 -0.49 114.38 117.73 1lot h ARG 183 Ca 0.44 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.41 1lot h ARG 183 Cb 0.69 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1lot h ARG 183 CO -0.94 0.49 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.01 1lot h ASP 184 N 0.77 0.56 -0.37 -3.80 5.19 -0.94 -1.95 116.42 115.88 1lot h ASP 184 Ca 0.49 -0.30 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1lot h ASP 184 Cb 0.65 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1lot h ASP 184 CO -0.33 1.01 -0.14 -0.07 -3.12 0.00 0.00 179.24 176.59 1lot h LEU 185 N 0.38 0.77 -0.30 1.55 3.38 -1.01 -0.54 115.31 119.54 1lot h LEU 185 Ca 0.00 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1lot h LEU 185 Cb 1.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1lot h LEU 185 CO 0.10 0.98 0.09 0.74 0.09 0.00 0.00 178.44 180.44 1lot h THR 186 N 0.55 0.90 -0.31 0.22 2.02 -1.06 0.89 112.91 116.12 1lot h THR 186 Ca 0.09 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1lot h THR 186 Cb 0.67 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1lot h THR 186 CO 0.05 0.04 0.09 0.44 0.37 0.00 0.00 175.52 176.51 1lot h ASP 187 N 0.21 0.40 -0.03 4.18 3.45 -1.15 -2.39 116.42 121.10 1lot h ASP 187 Ca 0.13 -0.04 -0.19 0.00 0.43 0.00 0.00 57.03 57.36 1lot h ASP 187 Cb 0.12 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1lot h ASP 187 CO -0.15 0.40 -0.74 0.22 -1.57 0.00 0.00 179.24 177.39 1lot h TYR 188 N 0.44 0.80 0.00 4.55 3.20 -0.31 -2.86 116.97 122.79 1lot h TYR 188 Ca 0.11 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1lot h TYR 188 Cb 0.15 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1lot h TYR 188 CO 0.00 1.24 0.00 1.25 -1.64 0.00 0.00 178.16 179.01 1lot h LEU 189 N 0.13 0.00 0.06 2.82 5.85 -0.61 -0.79 115.31 122.77 1lot h LEU 189 Ca -0.09 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 1lot h LEU 189 Cb 1.42 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.47 1lot h LEU 189 CO 0.15 0.00 -0.75 0.24 -0.34 0.00 0.00 178.44 177.74 1lot h MET 190 N 0.00 0.40 -0.08 1.25 2.86 -1.32 -2.66 114.93 115.38 1lot h MET 190 Ca 0.00 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1lot h MET 190 Cb 0.14 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1lot h MET 190 CO 0.00 1.18 0.04 -0.22 1.06 0.00 0.00 176.91 178.97 1lot h LYS 191 N -0.15 0.11 0.00 1.72 3.64 -0.96 -0.47 116.57 120.48 1lot h LYS 191 Ca -0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1lot h LYS 191 Cb 1.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1lot h LYS 191 CO 0.14 0.19 0.00 -0.84 -2.27 0.00 0.00 179.45 176.68 1lot h ILE 192 N 0.01 0.00 0.23 2.00 3.07 -1.44 0.05 117.51 121.43 1lot h ILE 192 Ca 0.03 -0.73 -0.34 0.00 1.55 0.00 0.00 64.86 65.37 1lot h ILE 192 Cb 0.12 1.72 0.03 0.00 -0.27 0.00 0.00 36.82 38.42 1lot h ILE 192 CO -0.00 0.00 -1.56 0.25 -1.05 0.00 0.00 178.15 175.78 1lot h LEU 193 N 0.00 0.77 -0.66 0.16 5.85 -1.34 -2.73 115.31 117.36 1lot h LEU 193 Ca 0.00 -0.91 -0.11 0.00 0.84 0.00 0.00 57.88 57.70 1lot h LEU 193 Cb 0.73 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1lot h LEU 193 CO 0.00 1.73 -0.17 0.74 -0.34 0.00 0.00 178.44 180.40 1lot h THR 194 N 0.14 1.27 -0.13 1.05 2.02 -0.88 -2.59 112.91 113.78 1lot h THR 194 Ca -0.28 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 65.55 1lot h THR 194 Cb 2.15 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1lot h THR 194 CO 0.25 0.44 -0.17 -0.33 0.37 0.00 0.00 175.52 176.08 1lot h GLU 195 N 0.76 0.21 0.00 6.66 5.08 -1.03 -1.59 114.58 124.67 1lot h GLU 195 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1lot h GLU 195 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1lot h GLU 195 CO 0.05 0.39 0.00 -2.13 -1.00 0.00 0.00 179.01 176.32 1lot n ARG 196 N -4.25 0.69 -0.89 2.33 0.63 -0.98 -4.79 116.66 109.41 1lot n ARG 196 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1lot n ARG 196 Cb 0.29 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1lot n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1lot n GLY 197 N 0.22 0.50 3.32 5.14 0.00 -0.62 -5.08 105.19 108.68 1lot n GLY 197 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1lot n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lot s TYR 198 N -1.94 0.73 -0.27 1.61 2.02 -1.07 -5.03 117.35 113.41 1lot s TYR 198 Ca 0.00 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 1lot s TYR 198 Cb 0.00 -0.24 0.07 0.00 -0.40 0.00 0.00 41.96 41.39 1lot s TYR 198 CO 0.00 -0.73 -0.06 0.45 -1.57 0.00 0.00 175.55 173.64 1lot s SER 199 N -3.06 4.30 -0.31 2.29 0.15 -1.26 -4.14 113.70 111.66 1lot s SER 199 Ca 0.27 -1.47 -0.01 0.00 0.70 0.00 0.00 55.95 55.45 1lot s SER 199 Cb 0.04 -1.42 0.10 0.00 -1.71 0.00 0.00 66.02 63.04 1lot s SER 199 CO 0.07 -0.25 0.11 -0.36 1.20 0.00 0.00 173.24 174.01 1lot s PHE 200 N 1.18 1.48 0.00 3.44 0.40 -1.26 -4.94 117.98 118.28 1lot s PHE 200 Ca -0.04 -1.62 0.00 0.00 -0.60 0.00 0.00 56.93 54.67 1lot s PHE 200 Cb -0.19 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1lot s PHE 200 CO -0.07 -0.87 0.00 1.33 0.70 0.00 0.00 175.22 176.32 1lot n VAL 201 N 4.85 0.00 -1.30 -0.44 0.24 -1.26 -4.79 118.33 115.62 1lot n VAL 201 Ca -0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.99 1lot n VAL 201 Cb 0.42 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 32.95 1lot n VAL 201 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1lot s THR 202 N -1.00 2.09 0.30 3.34 -4.23 -1.26 -4.80 115.64 110.07 1lot s THR 202 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1lot s THR 202 Cb 0.00 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.33 1lot s THR 202 CO 0.00 -0.04 1.78 0.71 -0.54 0.00 0.00 174.62 176.53 1lot h THR 203 N -1.74 1.24 -0.32 3.99 1.35 -2.00 0.46 112.91 115.89 1lot h THR 203 Ca -0.53 -1.06 -0.15 0.00 -0.55 0.00 0.00 66.41 64.12 1lot h THR 203 Cb 1.33 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1lot h THR 203 CO 0.59 0.35 -0.40 0.00 -0.25 0.00 0.00 175.52 175.81 1lot h ALA 204 N 1.38 0.69 -0.05 6.62 0.00 -2.00 -2.09 119.26 123.80 1lot h ALA 204 Ca 0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1lot h ALA 204 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1lot h ALA 204 CO 0.03 0.67 -0.28 0.93 0.00 0.00 0.00 179.25 180.60 1lot h GLU 205 N 0.63 0.08 0.12 0.00 5.08 -1.80 -1.96 114.58 116.73 1lot h GLU 205 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1lot h GLU 205 Cb 0.96 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1lot h GLU 205 CO 0.09 0.35 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.30 1lot h ARG 206 N 0.07 -0.16 0.00 2.33 9.65 -0.27 -1.23 114.38 124.77 1lot h ARG 206 Ca 0.01 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.85 1lot h ARG 206 Cb 0.53 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1lot h ARG 206 CO 0.04 -0.11 -0.24 0.93 2.80 0.00 0.00 179.97 183.39 1lot h GLU 207 N -0.17 0.00 0.10 0.20 4.39 -1.10 -0.75 114.58 117.26 1lot h GLU 207 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1lot h GLU 207 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1lot h GLU 207 CO 0.03 0.24 -0.05 0.82 -1.16 0.00 0.00 179.01 178.89 1lot h ILE 208 N 0.00 1.10 -0.68 3.13 2.04 -0.96 -1.85 117.51 120.29 1lot h ILE 208 Ca -0.00 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.06 1lot h ILE 208 Cb 0.59 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1lot h ILE 208 CO 0.03 0.20 0.45 0.58 0.00 0.00 0.00 178.15 179.41 1lot h VAL 209 N -0.53 1.06 -0.93 1.67 2.07 -0.96 0.39 116.25 119.02 1lot h VAL 209 Ca -0.01 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1lot h VAL 209 Cb 0.44 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1lot h VAL 209 CO 0.02 0.14 0.61 -0.09 0.02 0.00 0.00 177.57 178.28 1lot h ARG 210 N 0.76 1.21 -0.40 1.57 2.43 -0.92 -0.98 114.38 118.05 1lot h ARG 210 Ca 0.28 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1lot h ARG 210 Cb 0.15 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1lot h ARG 210 CO -0.08 0.80 -0.26 0.22 -1.51 0.00 0.00 179.97 179.14 1lot h ASP 211 N 1.24 0.92 -0.57 -3.80 1.82 -0.13 -2.58 116.42 113.33 1lot h ASP 211 Ca 0.34 -0.43 0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1lot h ASP 211 Cb -0.12 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.60 1lot h ASP 211 CO -0.08 1.15 0.36 0.40 -1.61 0.00 0.00 179.24 179.46 1lot h ILE 212 N 0.70 1.09 -0.71 2.25 2.04 -0.65 -2.00 117.51 120.22 1lot h ILE 212 Ca 0.08 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1lot h ILE 212 Cb 0.84 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1lot h ILE 212 CO 0.07 0.13 0.46 0.50 0.00 0.00 0.00 178.15 179.31 1lot h LYS 213 N 0.71 0.90 0.00 2.37 3.64 -1.09 0.20 116.57 123.29 1lot h LYS 213 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1lot h LYS 213 Cb -0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1lot h LYS 213 CO -0.08 0.59 -0.21 0.93 -2.27 0.00 0.00 179.45 178.41 1lot h GLU 214 N 0.92 0.00 0.02 1.90 5.08 -1.18 -2.83 114.58 118.49 1lot h GLU 214 Ca 0.27 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.26 1lot h GLU 214 Cb -0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1lot h GLU 214 CO -0.08 0.21 -2.36 1.63 -1.00 0.00 0.00 179.01 177.41 1lot n LYS 215 N -3.21 0.67 -0.03 2.33 5.02 -0.78 -4.73 118.16 117.44 1lot n LYS 215 Ca 0.02 0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 1lot n LYS 215 Cb 0.55 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1lot n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1lot n LEU 216 N -3.17 1.89 -4.91 -0.35 7.99 0.67 -5.04 117.00 114.08 1lot n LEU 216 Ca -0.40 -1.62 -0.27 0.00 -0.01 0.00 0.00 56.01 53.70 1lot n LEU 216 Cb 1.04 -0.04 -0.02 0.00 -0.11 0.00 0.00 43.42 44.28 1lot n LEU 216 CO 0.33 0.46 0.26 0.00 -1.51 0.00 0.00 177.39 176.92 1lot s TYR 218 N -2.27 -0.38 -0.18 0.00 -0.85 0.11 -4.38 117.35 109.41 1lot s TYR 218 Ca 0.44 0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.97 1lot s TYR 218 Cb -0.10 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 1lot s TYR 218 CO 0.34 -1.00 0.10 0.08 -1.52 0.00 0.00 175.55 173.55 1lot s VAL 219 N -3.82 5.17 -0.02 -3.49 1.01 -0.18 -3.78 120.40 115.28 1lot s VAL 219 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1lot s VAL 219 Cb -0.03 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1lot s VAL 219 CO -0.05 0.47 0.71 0.00 0.00 0.00 0.00 175.10 176.23 1lot s ALA 220 N 0.17 3.37 0.22 5.51 0.00 -1.26 -4.52 121.76 125.25 1lot s ALA 220 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 1lot s ALA 220 Cb -0.12 -2.93 0.21 0.00 0.00 0.00 0.00 23.12 20.28 1lot s ALA 220 CO -0.00 0.01 1.88 1.25 0.00 0.00 0.00 175.76 178.89 1lot h LEU 221 N 6.17 0.90 -7.30 0.00 5.85 -1.96 -3.35 115.31 115.62 1lot h LEU 221 Ca -0.43 -0.02 -0.59 0.00 0.84 0.00 0.00 57.88 57.69 1lot h LEU 221 Cb 1.20 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 41.62 1lot h LEU 221 CO 0.73 0.64 -0.76 -0.62 -0.34 0.00 0.00 178.44 178.09 1lot s ASP 222 N -5.90 3.97 0.04 1.25 3.68 -1.26 -4.91 116.67 113.55 1lot s ASP 222 Ca -0.13 -1.55 -0.13 0.00 2.13 0.00 0.00 52.55 52.88 1lot s ASP 222 Cb 0.16 -0.97 -0.05 0.00 -1.45 0.00 0.00 42.92 40.61 1lot s ASP 222 CO 0.79 -0.37 1.20 0.15 0.13 0.00 0.00 175.17 177.07 1lot h PHE 223 N 8.03 -0.59 -0.29 -5.34 3.57 -2.00 -1.43 116.94 118.88 1lot h PHE 223 Ca -0.13 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1lot h PHE 223 Cb 1.04 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 1lot h PHE 223 CO 0.38 -0.21 -0.37 0.93 -2.23 0.00 0.00 178.31 176.81 1lot h GLU 224 N -0.24 -0.34 -0.48 1.11 5.08 -1.96 0.48 114.58 118.23 1lot h GLU 224 Ca 0.01 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1lot h GLU 224 Cb 0.26 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.50 1lot h GLU 224 CO -0.14 -0.23 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.65 1lot h ASN 225 N -0.35 -0.38 -0.48 1.42 4.21 -1.99 0.11 115.58 118.13 1lot h ASN 225 Ca 0.13 0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.74 1lot h ASN 225 Cb 0.57 0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.02 1lot h ASN 225 CO -0.48 -0.13 0.19 -0.08 -1.29 0.00 0.00 177.43 175.64 1lot h GLU 226 N 0.03 0.76 -0.46 0.81 4.57 -0.34 -1.22 114.58 118.72 1lot h GLU 226 Ca 0.24 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1lot h GLU 226 Cb 0.36 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1lot h GLU 226 CO -0.47 0.64 -0.02 1.98 -1.18 0.00 0.00 179.01 179.96 1lot h MET 227 N 0.75 0.78 -0.02 1.92 4.05 0.23 -2.13 114.93 120.51 1lot h MET 227 Ca 0.18 -0.22 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 1lot h MET 227 Cb 0.18 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1lot h MET 227 CO -0.01 0.80 -0.65 0.00 0.23 0.00 0.00 176.91 177.28 1lot h ALA 228 N 1.25 0.11 -1.00 0.39 0.00 -0.43 -2.45 119.26 117.12 1lot h ALA 228 Ca 0.14 -0.58 0.16 0.00 0.00 0.00 0.00 54.91 54.63 1lot h ALA 228 Cb 0.48 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1lot h ALA 228 CO 0.02 0.41 0.62 1.15 0.00 0.00 0.00 179.25 181.45 1lot h THR 229 N 0.02 0.81 -0.04 0.00 2.02 -1.09 0.25 112.91 114.87 1lot h THR 229 Ca -0.07 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1lot h THR 229 Cb 1.34 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1lot h THR 229 CO 0.13 0.16 -0.09 0.00 0.37 0.00 0.00 175.52 176.08 1lot h ALA 230 N 1.60 0.07 0.00 6.16 0.00 -1.39 -1.78 119.26 123.92 1lot h ALA 230 Ca 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lot h ALA 230 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1lot h ALA 230 CO -0.32 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1lot h ALA 231 N 0.46 1.00 0.02 0.00 0.00 -0.86 -3.08 119.26 116.81 1lot h ALA 231 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1lot h ALA 231 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1lot h ALA 231 CO 0.02 0.00 -1.35 0.77 0.00 0.00 0.00 179.25 178.69 1lot h SER 232 N 0.00 0.08 0.00 0.00 0.02 -0.44 -3.51 113.55 109.70 1lot h SER 232 Ca 0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1lot h SER 232 Cb 0.16 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1lot h SER 232 CO 0.00 1.54 0.00 -1.54 -1.14 0.00 0.00 176.83 175.69 1lot n SER 233 N -4.28 0.33 0.00 3.07 3.41 -0.68 -5.09 113.62 110.37 1lot n SER 233 Ca -0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1lot n SER 233 Cb 0.74 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1lot n SER 233 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lot n SER 234 N 0.00 0.00 0.00 4.04 7.64 -1.26 -4.54 113.62 119.50 1lot n SER 234 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1lot n SER 234 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1lot n SER 234 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1lot n SER 235 N 0.00 0.00 -1.59 6.43 7.64 -1.26 -4.47 113.62 120.37 1lot n SER 235 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1lot n SER 235 Cb 0.00 -0.03 0.34 0.00 -1.01 0.00 0.00 64.21 63.51 1lot n SER 235 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lot n LEU 236 N 0.00 5.21 -4.31 -3.43 4.77 -1.26 -4.92 117.00 113.06 1lot n LEU 236 Ca 0.00 -3.04 -0.32 0.00 -0.03 0.00 0.00 56.01 52.62 1lot n LEU 236 Cb 0.00 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 1lot n LEU 236 CO 0.00 0.70 -0.54 -1.61 -1.33 0.00 0.00 177.39 174.61 1lot s GLU 237 N -2.85 2.60 0.27 3.23 2.02 -1.26 -4.42 118.70 118.28 1lot s GLU 237 Ca 0.51 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.70 1lot s GLU 237 Cb 0.40 -2.24 -0.06 0.00 0.10 0.00 0.00 34.13 32.34 1lot s GLU 237 CO 0.13 0.41 -0.03 0.15 0.02 0.00 0.00 175.26 175.94 1lot s LYS 238 N -0.22 1.49 -0.06 1.61 -0.14 -0.56 -4.95 119.74 116.90 1lot s LYS 238 Ca -0.01 -1.76 0.05 0.00 -1.36 0.00 0.00 55.97 52.88 1lot s LYS 238 Cb -0.13 -0.97 -0.02 0.00 -1.68 0.00 0.00 37.83 35.03 1lot s LYS 238 CO 0.03 -0.02 -0.20 -1.54 -0.76 0.00 0.00 175.35 172.86 1lot s SER 239 N -3.40 3.52 -0.07 2.83 1.04 -1.26 -0.17 113.70 116.19 1lot s SER 239 Ca 0.29 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1lot s SER 239 Cb 0.05 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.27 1lot s SER 239 CO 0.11 0.27 -0.11 -0.47 0.98 0.00 0.00 173.24 174.02 1lot s TYR 240 N -0.31 1.39 -0.26 5.02 6.14 0.25 -4.97 117.35 124.61 1lot s TYR 240 Ca 0.02 -0.53 -0.19 0.00 0.64 0.00 0.00 57.07 57.01 1lot s TYR 240 Cb -0.13 -1.05 -0.02 0.00 0.42 0.00 0.00 41.96 41.18 1lot s TYR 240 CO 0.02 -0.30 0.58 -2.00 0.64 0.00 0.00 175.55 174.50 1lot s GLU 241 N 0.80 4.09 0.92 4.97 2.12 -1.26 -1.25 118.70 129.10 1lot s GLU 241 Ca -0.12 0.44 -0.13 0.00 0.36 0.00 0.00 54.97 55.52 1lot s GLU 241 Cb -0.15 -3.65 0.15 0.00 0.26 0.00 0.00 34.13 30.73 1lot s GLU 241 CO 0.02 -0.39 1.17 -0.51 -0.54 0.00 0.00 175.26 175.00 1lot s LEU 242 N 2.43 2.08 0.50 2.70 1.43 -0.47 -4.89 118.68 122.45 1lot s LEU 242 Ca 0.24 0.82 0.21 0.00 -1.03 0.00 0.00 54.13 54.37 1lot s LEU 242 Cb -0.16 -3.08 1.30 0.00 0.03 0.00 0.00 46.19 44.28 1lot s LEU 242 CO 0.09 -2.60 2.07 -0.65 0.23 0.00 0.00 176.35 175.49 1lot h PRO 243 N -1.53 0.00 -0.74 1.29 0.11 -1.98 -1.29 132.00 127.86 1lot h PRO 243 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1lot h PRO 243 Cb 1.32 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 1lot h PRO 243 CO 0.57 0.12 0.49 -0.44 -0.21 0.00 0.00 178.00 178.53 1lot h ASP 244 N 0.00 0.61 0.00 -2.05 3.45 -2.03 -3.45 116.42 112.95 1lot h ASP 244 Ca -0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1lot h ASP 244 Cb 0.25 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1lot h ASP 244 CO 0.02 0.37 0.00 0.61 -1.57 0.00 0.00 179.24 178.67 1lot n GLY 245 N -1.46 0.38 3.70 2.75 0.00 -0.48 -5.05 105.19 105.02 1lot n GLY 245 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1lot n GLY 245 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lot s GLN 246 N -0.80 4.39 -0.14 1.61 -0.44 -1.26 -4.73 119.66 118.30 1lot s GLN 246 Ca 0.00 1.70 -0.06 0.00 -2.50 0.00 0.00 55.36 54.50 1lot s GLN 246 Cb 0.00 -3.48 -0.04 0.00 -1.64 0.00 0.00 33.01 27.85 1lot s GLN 246 CO 0.00 -0.36 0.07 0.14 0.50 0.00 0.00 175.29 175.63 1lot s VAL 247 N 1.76 4.85 0.40 1.34 -7.23 -1.26 -1.37 120.40 118.89 1lot s VAL 247 Ca 0.57 -0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.79 1lot s VAL 247 Cb -0.26 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.49 1lot s VAL 247 CO 0.25 0.55 0.11 0.27 -0.31 0.00 0.00 175.10 175.97 1lot s ILE 248 N -0.38 2.28 -0.10 -0.62 -4.36 -0.38 -4.93 121.20 112.72 1lot s ILE 248 Ca 0.09 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1lot s ILE 248 Cb -0.12 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1lot s ILE 248 CO 0.02 -0.03 -0.23 -0.89 0.24 0.00 0.00 174.94 174.05 1lot s THR 249 N -2.62 2.01 -0.24 8.37 2.01 -1.26 -0.58 115.64 123.33 1lot s THR 249 Ca 0.39 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 1lot s THR 249 Cb 0.05 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1lot s THR 249 CO 0.21 0.55 0.15 -0.63 -0.69 0.00 0.00 174.62 174.21 1lot s ILE 250 N 0.37 5.28 0.00 1.82 1.01 0.76 -4.92 121.20 125.53 1lot s ILE 250 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1lot s ILE 250 Cb -0.18 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1lot s ILE 250 CO 0.08 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1lot n GLY 251 N 4.32 0.32 0.00 6.18 0.00 -1.26 -1.50 105.19 113.24 1lot n GLY 251 Ca -0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1lot n GLY 251 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lot n ASN 252 N 0.00 0.00 0.10 1.61 2.04 -1.26 -2.40 115.26 115.35 1lot n ASN 252 Ca 0.00 -0.15 0.12 0.00 -0.44 0.00 0.00 54.58 54.11 1lot n ASN 252 Cb 0.00 -0.20 0.45 0.00 -2.53 0.00 0.00 39.78 37.50 1lot n ASN 252 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1lot n GLU 253 N -1.20 0.18 -0.04 -3.83 0.00 -1.26 -1.32 120.64 113.16 1lot n GLU 253 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.56 1lot n GLU 253 Cb 0.12 -1.78 0.30 0.00 0.00 0.00 0.00 31.44 30.08 1lot n GLU 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1lot h ARG 254 N 0.00 0.62 0.00 3.44 3.08 -1.76 -2.63 114.38 117.12 1lot h ARG 254 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1lot h ARG 254 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1lot h ARG 254 CO 0.00 0.55 -0.96 1.97 -1.07 0.00 0.00 179.97 180.47 1lot n PHE 255 N -4.33 0.00 0.08 3.04 1.16 -1.09 -0.71 117.46 115.60 1lot n PHE 255 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.58 1lot n PHE 255 Cb 0.18 -0.11 0.20 0.00 -1.61 0.00 0.00 39.48 38.14 1lot n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lot h ARG 256 N 0.00 0.29 0.81 3.97 3.08 -1.18 -1.98 114.38 119.36 1lot h ARG 256 Ca 0.00 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1lot h ARG 256 Cb 0.34 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1lot h ARG 256 CO 0.00 0.66 -0.39 0.00 -1.07 0.00 0.00 179.97 179.17 1lot h PRO 258 N -1.28 0.00 -0.12 0.00 0.11 -1.77 -2.95 132.00 125.99 1lot h PRO 258 Ca -0.11 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.03 1lot h PRO 258 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1lot h PRO 258 CO 0.18 0.07 0.14 1.49 -0.21 0.00 0.00 178.00 179.68 1lot h GLU 259 N 0.00 0.00 0.00 1.05 4.57 -1.34 -1.21 114.58 117.65 1lot h GLU 259 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lot h GLU 259 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1lot h GLU 259 CO 0.01 0.00 0.00 1.79 -1.18 0.00 0.00 179.01 179.63 1lot h THR 260 N 0.00 0.00 -0.61 0.32 1.35 -1.60 -1.15 112.91 111.21 1lot h THR 260 Ca 0.06 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1lot h THR 260 Cb 0.34 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1lot h THR 260 CO -0.00 0.00 0.27 -0.07 -0.25 0.00 0.00 175.52 175.47 1lot h LEU 261 N 0.00 0.80 0.00 3.87 3.38 -1.45 -2.10 115.31 119.80 1lot h LEU 261 Ca 0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1lot h LEU 261 Cb 0.38 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1lot h LEU 261 CO 0.00 0.70 -1.07 -0.26 0.09 0.00 0.00 178.44 177.90 1lot h PHE 262 N 0.87 0.00 -2.53 1.13 0.04 -1.48 -1.22 116.94 113.75 1lot h PHE 262 Ca 0.21 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.38 1lot h PHE 262 Cb 0.13 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 37.88 1lot h PHE 262 CO 0.01 0.45 -0.79 1.04 -0.60 0.00 0.00 178.31 178.42 1lot n GLN 263 N -2.95 1.23 0.00 1.51 6.02 -0.53 -4.16 117.38 118.50 1lot n GLN 263 Ca -0.05 -3.89 0.00 0.00 -0.01 0.00 0.00 57.00 53.05 1lot n GLN 263 Cb 0.76 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1lot n GLN 263 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1lot n PRO 264 N 1.98 0.00 0.13 -1.09 -0.02 -0.84 -1.05 135.00 134.11 1lot n PRO 264 Ca 0.25 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1lot n PRO 264 Cb 0.43 -1.70 0.38 0.00 -0.02 0.00 0.00 33.50 32.59 1lot n PRO 264 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1lot h SER 265 N 0.00 0.00 0.00 2.55 4.64 -1.79 -0.81 113.55 118.14 1lot h SER 265 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lot h SER 265 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1lot h SER 265 CO 0.00 0.00 0.02 -0.26 -0.87 0.00 0.00 176.83 175.72 1lot h PHE 266 N 0.00 0.00 0.00 4.77 0.05 -1.40 0.22 116.94 120.58 1lot h PHE 266 Ca 0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1lot h PHE 266 Cb 0.76 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.66 1lot h PHE 266 CO 0.00 0.00 -0.37 0.44 -0.18 0.00 0.00 178.31 178.20 1lot n ILE 267 N -2.32 1.45 -1.67 -0.55 -5.35 -1.16 -4.98 119.36 104.78 1lot n ILE 267 Ca -0.02 -2.07 -0.14 0.00 -0.27 0.00 0.00 62.75 60.25 1lot n ILE 267 Cb 0.06 0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 37.95 1lot n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lot n GLY 268 N -0.86 0.98 3.68 3.28 0.00 0.78 -4.99 105.19 108.05 1lot n GLY 268 Ca 0.13 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1lot n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lot s MET 269 N -3.66 4.14 -1.12 1.61 0.00 -0.32 -4.95 119.30 115.00 1lot s MET 269 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 55.69 55.54 1lot s MET 269 Cb 0.00 -3.52 0.26 0.00 0.00 0.00 0.00 34.83 31.57 1lot s MET 269 CO 0.00 0.06 1.15 -1.21 0.00 0.00 0.00 175.02 175.02 1lot s GLU 270 N 1.05 4.18 0.15 4.11 0.41 -1.26 -2.64 118.70 124.69 1lot s GLU 270 Ca 0.13 -3.12 -0.14 0.00 -0.41 0.00 0.00 54.97 51.43 1lot s GLU 270 Cb -0.14 -4.63 0.02 0.00 -1.78 0.00 0.00 34.13 27.60 1lot s GLU 270 CO 0.05 -1.32 0.38 -1.54 -0.49 0.00 0.00 175.26 172.35 1lot s SER 271 N 1.54 -0.13 0.69 -0.19 1.04 -1.26 -5.11 113.70 110.29 1lot s SER 271 Ca 0.32 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 1lot s SER 271 Cb -0.09 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1lot s SER 271 CO -0.07 -0.91 1.21 0.00 0.98 0.00 0.00 173.24 174.46 1lot s ALA 272 N -3.87 2.25 0.66 5.32 0.00 -1.26 -4.44 121.76 120.41 1lot s ALA 272 Ca 0.09 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1lot s ALA 272 Cb 0.02 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1lot s ALA 272 CO -0.06 -1.68 0.97 0.20 0.00 0.00 0.00 175.76 175.19 1lot s GLY 273 N -1.90 1.66 0.54 0.00 0.00 -1.26 -4.78 107.32 101.58 1lot s GLY 273 Ca 0.76 -0.84 0.28 0.00 0.00 0.00 0.00 44.72 44.91 1lot s GLY 273 CO 0.42 -0.48 1.95 0.16 0.00 0.00 0.00 173.10 175.14 1lot h ILE 274 N -0.44 0.60 -0.08 0.90 3.07 -1.49 0.21 117.51 120.28 1lot h ILE 274 Ca -0.45 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 65.81 1lot h ILE 274 Cb 1.29 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.49 1lot h ILE 274 CO 0.60 0.00 -0.62 1.12 -1.05 0.00 0.00 178.15 178.20 1lot h HIS 275 N 0.00 0.37 0.07 0.16 2.07 -1.91 -2.04 115.15 113.87 1lot h HIS 275 Ca 0.30 -0.15 -0.25 0.00 -2.85 0.00 0.00 60.37 57.43 1lot h HIS 275 Cb 1.27 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 1lot h HIS 275 CO 0.00 0.83 -1.11 0.93 -3.07 0.00 0.00 177.93 175.51 1lot h GLU 276 N 0.21 0.27 -0.08 5.12 5.08 -1.03 -1.43 114.58 122.72 1lot h GLU 276 Ca -0.01 -0.39 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 1lot h GLU 276 Cb 1.14 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1lot h GLU 276 CO 0.10 1.14 -0.59 1.79 -1.00 0.00 0.00 179.01 180.45 1lot h THR 277 N 0.11 1.38 -0.40 1.13 1.35 -1.04 0.14 112.91 115.58 1lot h THR 277 Ca -0.10 -1.94 -0.14 0.00 -0.55 0.00 0.00 66.41 63.68 1lot h THR 277 Cb 1.80 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 70.18 1lot h THR 277 CO 0.18 0.58 -0.30 0.74 -0.25 0.00 0.00 175.52 176.46 1lot h THR 278 N 0.20 1.27 0.01 6.82 2.02 -1.36 -0.94 112.91 120.93 1lot h THR 278 Ca -0.00 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 1lot h THR 278 Cb 1.09 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1lot h THR 278 CO 0.09 0.49 -0.00 0.22 0.37 0.00 0.00 175.52 176.69 1lot h TYR 279 N 0.75 -0.01 -0.63 3.16 3.20 -0.97 -2.93 116.97 119.53 1lot h TYR 279 Ca 0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1lot h TYR 279 Cb 0.87 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1lot h TYR 279 CO 0.05 0.31 0.22 -0.91 -1.64 0.00 0.00 178.16 176.20 1lot h ASN 280 N -0.33 0.87 -0.34 -2.11 2.35 -0.66 -2.03 115.58 113.33 1lot h ASN 280 Ca -0.00 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1lot h ASN 280 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1lot h ASN 280 CO 0.00 0.80 0.19 -1.28 -1.65 0.00 0.00 177.43 175.49 1lot h SER 281 N 0.92 0.31 -0.63 5.81 0.87 -1.17 -2.22 113.55 117.44 1lot h SER 281 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1lot h SER 281 Cb 0.23 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1lot h SER 281 CO -0.01 0.22 0.35 0.40 -0.53 0.00 0.00 176.83 177.26 1lot h ILE 282 N 0.39 1.20 0.00 2.23 2.04 -1.31 -2.47 117.51 119.59 1lot h ILE 282 Ca 0.13 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1lot h ILE 282 Cb 0.01 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1lot h ILE 282 CO -0.07 0.22 0.00 0.24 0.00 0.00 0.00 178.15 178.54 1lot h MET 283 N 0.85 0.00 -0.01 2.37 2.86 -0.82 0.16 114.93 120.35 1lot h MET 283 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1lot h MET 283 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1lot h MET 283 CO -0.04 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.56 1lot n LYS 284 N -2.64 1.29 -4.06 1.72 4.76 -0.89 -4.86 118.16 113.48 1lot n LYS 284 Ca -0.01 -0.42 -0.24 0.00 -2.87 0.00 0.00 58.31 54.77 1lot n LYS 284 Cb 0.14 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.80 1lot n LYS 284 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lot n ASP 286 N -0.75 2.65 -0.30 0.00 9.92 -1.26 -4.82 116.55 121.99 1lot n ASP 286 Ca -0.08 1.16 0.13 0.00 -0.53 0.00 0.00 54.79 55.47 1lot n ASP 286 Cb 0.56 -1.43 0.29 0.00 -0.64 0.00 0.00 41.12 39.90 1lot n ASP 286 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1lot h ILE 287 N 2.85 0.38 0.00 0.53 2.04 -1.95 -1.33 117.51 120.04 1lot h ILE 287 Ca -0.45 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1lot h ILE 287 Cb 1.28 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1lot h ILE 287 CO 0.71 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 178.01 1lot n ASP 288 N -5.15 0.00 -0.00 1.72 5.75 -1.26 -2.95 116.55 114.66 1lot n ASP 288 Ca 0.21 0.45 0.05 0.00 -0.01 0.00 0.00 54.79 55.49 1lot n ASP 288 Cb 0.67 -0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 1lot n ASP 288 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1lot n ILE 289 N -1.47 0.00 -0.33 2.12 -5.35 -0.51 -4.62 119.36 109.19 1lot n ILE 289 Ca 0.03 -0.25 0.14 0.00 -0.27 0.00 0.00 62.75 62.40 1lot n ILE 289 Cb 0.14 0.70 0.32 0.00 -1.74 0.00 0.00 39.64 39.06 1lot n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1lot h ARG 290 N 0.00 0.56 -0.83 6.28 3.08 -1.41 0.27 114.38 122.34 1lot h ARG 290 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.13 1lot h ARG 290 Cb 0.33 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1lot h ARG 290 CO 0.00 0.37 0.54 1.57 -1.07 0.00 0.00 179.97 181.38 1lot h LYS 291 N 0.58 0.71 0.00 0.04 2.10 -1.82 0.70 116.57 118.88 1lot h LYS 291 Ca 0.58 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1lot h LYS 291 Cb 1.01 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1lot h LYS 291 CO -0.45 0.47 0.00 -0.44 -2.00 0.00 0.00 179.45 177.03 1lot h ASP 292 N 0.73 0.00 0.01 7.07 3.45 -0.77 -1.83 116.42 125.08 1lot h ASP 292 Ca 0.39 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.76 1lot h ASP 292 Cb 0.52 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1lot h ASP 292 CO -0.16 0.00 -0.47 -0.07 -1.57 0.00 0.00 179.24 176.96 1lot h LEU 293 N 0.00 0.03 -1.42 1.55 4.07 -0.62 -3.17 115.31 115.75 1lot h LEU 293 Ca 0.00 -0.84 0.03 0.00 0.08 0.00 0.00 57.88 57.15 1lot h LEU 293 Cb 0.71 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1lot h LEU 293 CO 0.00 1.19 0.42 1.88 -1.08 0.00 0.00 178.44 180.85 1lot h TYR 294 N -0.95 0.73 -0.01 1.13 0.05 -0.99 -2.59 116.97 114.33 1lot h TYR 294 Ca -0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1lot h TYR 294 Cb 1.15 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1lot h TYR 294 CO 0.21 0.43 -0.04 0.00 -1.05 0.00 0.00 178.16 177.72 1lot n ALA 295 N -2.45 2.66 -2.99 3.88 0.00 -0.69 -1.31 120.51 119.60 1lot n ALA 295 Ca 0.07 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1lot n ALA 295 Cb 0.12 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 1lot n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lot n ASN 296 N -0.05 0.80 -4.40 0.00 3.02 -0.99 -4.51 115.26 109.14 1lot n ASN 296 Ca 0.18 -2.94 -0.44 0.00 -0.03 0.00 0.00 54.58 51.35 1lot n ASN 296 Cb 0.34 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1lot n ASN 296 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1lot s ASN 297 N -2.56 6.25 0.02 6.41 3.04 -0.89 -1.90 114.94 125.31 1lot s ASN 297 Ca 0.35 -1.45 -0.09 0.00 0.04 0.00 0.00 52.86 51.70 1lot s ASN 297 Cb 0.38 -2.33 -0.05 0.00 -1.54 0.00 0.00 41.25 37.71 1lot s ASN 297 CO -0.04 -1.16 0.33 0.68 -3.04 0.00 0.00 177.10 173.86 1lot s VAL 298 N 2.88 5.20 -0.11 -5.21 -7.23 -0.48 -0.13 120.40 115.31 1lot s VAL 298 Ca 0.16 0.41 0.01 0.00 -1.81 0.00 0.00 61.98 60.75 1lot s VAL 298 Cb -0.20 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 1lot s VAL 298 CO 0.05 0.41 -0.13 -0.04 -0.31 0.00 0.00 175.10 175.08 1lot s MET 299 N -1.58 3.22 0.08 4.82 -1.94 0.16 -0.92 119.30 123.14 1lot s MET 299 Ca 0.27 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 1lot s MET 299 Cb -0.14 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 1lot s MET 299 CO 0.15 0.29 0.05 -1.54 -0.01 0.00 0.00 175.02 173.96 1lot s SER 300 N 0.15 0.35 0.00 3.03 1.04 -0.45 -4.60 113.70 113.22 1lot s SER 300 Ca -0.07 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1lot s SER 300 Cb -0.15 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1lot s SER 300 CO 0.05 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1lot n GLY 301 N 0.02 2.50 0.24 7.32 0.00 -0.43 -1.40 105.19 113.43 1lot n GLY 301 Ca -0.12 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.11 1lot n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1lot h GLY 302 N 0.00 0.25 0.83 -0.02 0.00 -1.73 -1.96 103.07 100.43 1lot h GLY 302 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1lot h GLY 302 CO 0.00 0.14 0.00 2.41 0.00 0.00 0.00 176.54 179.09 1lot n THR 303 N -4.29 0.00 0.95 4.70 -1.04 -0.87 -1.63 114.28 112.10 1lot n THR 303 Ca -0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 1lot n THR 303 Cb 0.25 -0.48 0.05 0.00 -1.82 0.00 0.00 70.33 68.34 1lot n THR 303 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1lot n THR 304 N -0.91 0.00 1.16 12.58 -1.04 -0.74 -4.48 114.28 120.85 1lot n THR 304 Ca 0.17 -0.40 0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1lot n THR 304 Cb 0.08 1.37 0.63 0.00 -1.82 0.00 0.00 70.33 70.59 1lot n THR 304 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1lot n MET 305 N 0.68 0.32 -1.98 -2.82 2.81 -0.64 -4.90 117.12 110.59 1lot n MET 305 Ca 0.11 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.63 1lot n MET 305 Cb 0.51 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 1lot n MET 305 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1lot s TYR 306 N -2.62 3.04 0.39 2.03 2.02 -1.26 -4.95 117.35 116.00 1lot s TYR 306 Ca 0.23 0.83 -0.27 0.00 -0.37 0.00 0.00 57.07 57.49 1lot s TYR 306 Cb 0.17 -3.87 -0.09 0.00 -0.40 0.00 0.00 41.96 37.77 1lot s TYR 306 CO 0.39 -3.03 1.33 -2.14 -1.57 0.00 0.00 175.55 170.54 1lot s PRO 307 N 0.37 4.06 0.00 -1.71 0.02 -1.26 -2.27 135.00 134.21 1lot s PRO 307 Ca 0.65 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1lot s PRO 307 Cb -0.43 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1lot s PRO 307 CO 0.37 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 1lot n GLY 308 N 0.67 1.90 0.19 0.52 0.00 -1.26 -1.01 105.19 106.19 1lot n GLY 308 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1lot n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lot h ILE 309 N 0.00 1.24 0.05 -0.61 2.10 -1.69 -1.55 117.51 117.05 1lot h ILE 309 Ca 0.00 -1.23 -0.00 0.00 1.08 0.00 0.00 64.86 64.70 1lot h ILE 309 Cb 0.00 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1lot h ILE 309 CO 0.00 0.35 -0.02 0.00 -1.08 0.00 0.00 178.15 177.40 1lot h ALA 310 N 1.64 -0.07 -0.40 0.18 0.00 -1.91 -1.51 119.26 117.20 1lot h ALA 310 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1lot h ALA 310 Cb 0.64 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1lot h ALA 310 CO 0.05 -0.34 0.20 -0.44 0.00 0.00 0.00 179.25 178.72 1lot h ASP 311 N -0.47 0.49 -0.01 0.00 3.45 -1.96 0.51 116.42 118.43 1lot h ASP 311 Ca -0.01 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.41 1lot h ASP 311 Cb 0.42 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1lot h ASP 311 CO 0.01 0.41 -0.01 -0.09 -1.57 0.00 0.00 179.24 177.99 1lot h ARG 312 N 0.56 0.03 -0.40 3.56 9.65 -1.19 -1.95 114.38 124.63 1lot h ARG 312 Ca 0.14 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1lot h ARG 312 Cb 0.05 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1lot h ARG 312 CO -0.02 0.48 0.24 1.98 2.80 0.00 0.00 179.97 185.45 1lot h MET 313 N -0.41 0.47 -0.67 0.20 4.05 -0.98 0.00 114.93 117.60 1lot h MET 313 Ca 0.00 -0.03 0.14 0.00 -0.28 0.00 0.00 59.70 59.53 1lot h MET 313 Cb 0.47 -0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.06 1lot h MET 313 CO 0.00 0.31 0.14 0.37 0.23 0.00 0.00 176.91 177.96 1lot h GLN 314 N 0.49 0.24 0.46 0.39 5.75 -0.89 0.62 115.11 122.18 1lot h GLN 314 Ca 0.16 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1lot h GLN 314 Cb -0.00 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1lot h GLN 314 CO -0.07 0.16 -0.22 -0.22 -2.65 0.00 0.00 178.83 175.83 1lot h LYS 315 N 0.25 -0.60 -0.49 1.69 3.64 -0.47 -1.88 116.57 118.72 1lot h LYS 315 Ca 0.37 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1lot h LYS 315 Cb 0.59 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1lot h LYS 315 CO -0.47 -0.35 0.26 0.93 -2.27 0.00 0.00 179.45 177.55 1lot h GLU 316 N -0.72 0.50 -0.13 1.90 4.39 -0.38 -2.23 114.58 117.91 1lot h GLU 316 Ca -0.06 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1lot h GLU 316 Cb 0.53 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1lot h GLU 316 CO 0.10 0.33 -0.34 0.82 -1.16 0.00 0.00 179.01 178.76 1lot h ILE 317 N 0.51 1.28 0.00 3.13 1.08 -0.93 -2.01 117.51 120.57 1lot h ILE 317 Ca 0.21 -1.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.28 1lot h ILE 317 Cb 0.09 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1lot h ILE 317 CO -0.13 0.41 -0.20 0.74 -0.69 0.00 0.00 178.15 178.28 1lot h THR 318 N 0.23 1.10 -0.00 -0.27 2.02 -0.78 0.91 112.91 116.11 1lot h THR 318 Ca 0.03 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1lot h THR 318 Cb 0.72 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1lot h THR 318 CO 0.05 0.20 -0.19 0.00 0.37 0.00 0.00 175.52 175.95 1lot n ALA 319 N -2.48 2.80 -0.09 6.16 0.00 -0.78 -3.87 120.51 122.25 1lot n ALA 319 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1lot n ALA 319 Cb 0.26 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 1lot n ALA 319 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1lot n LEU 320 N -1.45 1.12 -4.92 0.00 4.32 -0.63 -5.03 117.00 110.41 1lot n LEU 320 Ca 0.07 -0.04 -0.27 0.00 -0.02 0.00 0.00 56.01 55.76 1lot n LEU 320 Cb 0.33 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 42.13 1lot n LEU 320 CO 0.30 0.56 0.49 0.00 -1.22 0.00 0.00 177.39 177.52 1lot s ALA 321 N -2.39 3.36 0.25 -1.18 0.00 0.22 -5.02 121.76 117.00 1lot s ALA 321 Ca -0.15 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1lot s ALA 321 Cb 0.06 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.49 1lot s ALA 321 CO 0.58 -0.66 1.57 -2.30 0.00 0.00 0.00 175.76 174.95 1lot n PRO 322 N -2.47 2.49 0.01 0.00 -0.02 -1.26 -4.81 135.00 128.94 1lot n PRO 322 Ca 0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1lot n PRO 322 Cb 0.57 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1lot n PRO 322 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1lot n SER 323 N 2.61 0.02 -1.03 2.55 3.41 -1.26 -0.83 113.62 119.08 1lot n SER 323 Ca 0.11 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1lot n SER 323 Cb 0.34 -0.30 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 1lot n SER 323 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lot n THR 324 N -1.32 0.69 -3.15 6.66 -2.24 -1.26 -4.97 114.28 108.68 1lot n THR 324 Ca -0.00 -0.84 -0.39 0.00 -2.27 0.00 0.00 64.05 60.55 1lot n THR 324 Cb 0.22 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 1lot n THR 324 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1lot s MET 325 N -1.21 4.40 -0.22 -0.78 1.00 -0.01 -5.02 119.30 117.47 1lot s MET 325 Ca 0.36 0.72 -0.29 0.00 0.00 0.00 0.00 55.69 56.47 1lot s MET 325 Cb 0.20 -3.44 -0.01 0.00 0.00 0.00 0.00 34.83 31.58 1lot s MET 325 CO 0.27 0.10 1.33 0.15 0.00 0.00 0.00 175.02 176.87 1lot s LYS 326 N 0.72 4.06 -0.18 2.03 1.02 -1.26 -4.99 119.74 121.13 1lot s LYS 326 Ca 0.33 1.51 -0.04 0.00 0.02 0.00 0.00 55.97 57.79 1lot s LYS 326 Cb -0.17 -3.85 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 1lot s LYS 326 CO 0.15 -0.94 -0.02 0.42 -0.92 0.00 0.00 175.35 174.04 1lot s ILE 327 N 4.05 3.90 -0.02 2.17 1.01 -1.26 -3.31 121.20 127.73 1lot s ILE 327 Ca 0.58 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1lot s ILE 327 Cb -0.20 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1lot s ILE 327 CO 0.20 0.46 0.03 -0.54 0.00 0.00 0.00 174.94 175.09 1lot s LYS 328 N 0.74 -0.03 -0.17 2.79 1.02 -0.43 -4.95 119.74 118.71 1lot s LYS 328 Ca -0.01 0.19 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 1lot s LYS 328 Cb -0.14 -0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 36.91 1lot s LYS 328 CO 0.02 -0.16 0.01 0.42 -0.92 0.00 0.00 175.35 174.72 1lot s ILE 329 N 1.01 4.29 -0.40 2.17 -1.09 -1.26 -2.09 121.20 123.83 1lot s ILE 329 Ca -0.08 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.01 1lot s ILE 329 Cb -0.12 -2.91 0.05 0.00 -1.58 0.00 0.00 42.46 37.89 1lot s ILE 329 CO -0.03 0.47 0.25 -0.63 -1.23 0.00 0.00 174.94 173.78 1lot s ILE 330 N 0.43 4.63 -0.51 2.92 -1.09 0.82 -4.95 121.20 123.45 1lot s ILE 330 Ca -0.00 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1lot s ILE 330 Cb -0.13 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.24 1lot s ILE 330 CO 0.02 -0.36 0.40 0.00 -1.23 0.00 0.00 174.94 173.76 1lot n ALA 331 N 5.02 3.05 -1.46 9.38 0.00 -1.26 -0.66 120.51 134.58 1lot n ALA 331 Ca -0.11 -3.60 -0.35 0.00 0.00 0.00 0.00 53.44 49.38 1lot n ALA 331 Cb 0.45 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.13 1lot n ALA 331 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1lot s PRO 332 N -0.50 2.32 0.51 0.00 0.02 -1.26 -4.92 135.00 131.16 1lot s PRO 332 Ca 0.30 1.78 0.28 0.00 0.02 0.00 0.00 61.00 63.39 1lot s PRO 332 Cb 0.02 -1.85 1.35 0.00 0.02 0.00 0.00 34.50 34.04 1lot s PRO 332 CO -0.19 -1.70 2.01 -1.35 -0.33 0.00 0.00 177.00 175.44 1lot h PRO 333 N -0.04 0.00 -0.65 5.54 0.11 -1.99 -2.43 132.00 132.53 1lot h PRO 333 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lot h PRO 333 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1lot h PRO 333 CO 0.51 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1lot n GLU 334 N -3.49 3.19 0.16 1.05 4.71 -1.26 -4.59 120.64 120.41 1lot n GLU 334 Ca -0.01 -2.54 0.10 0.00 -0.01 0.00 0.00 57.16 54.70 1lot n GLU 334 Cb 0.29 -1.74 0.54 0.00 -1.01 0.00 0.00 31.44 29.52 1lot n GLU 334 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1lot n ARG 335 N 1.15 0.13 0.31 3.49 1.85 -0.92 -1.13 116.66 121.55 1lot n ARG 335 Ca 0.23 0.62 0.20 0.00 -1.00 0.00 0.00 57.85 57.91 1lot n ARG 335 Cb 0.74 -1.99 0.96 0.00 -1.05 0.00 0.00 32.46 31.12 1lot n ARG 335 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1lot h LYS 336 N 0.00 0.00 0.00 2.89 3.64 -1.81 -1.08 116.57 120.21 1lot h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1lot h LYS 336 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1lot h LYS 336 CO 0.00 0.00 -0.12 0.66 -2.27 0.00 0.00 179.45 177.72 1lot n TYR 337 N -3.08 0.00 -0.30 1.91 4.01 -0.28 -4.36 117.16 115.06 1lot n TYR 337 Ca -0.01 -0.57 0.10 0.00 -0.16 0.00 0.00 57.90 57.26 1lot n TYR 337 Cb 0.19 -0.09 0.26 0.00 -0.31 0.00 0.00 39.34 39.38 1lot n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1lot h SER 338 N 0.00 0.38 0.85 7.72 0.02 -1.44 0.13 113.55 121.21 1lot h SER 338 Ca 0.00 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1lot h SER 338 Cb 1.01 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1lot h SER 338 CO 0.00 0.09 -0.50 0.58 -1.14 0.00 0.00 176.83 175.86 1lot h VAL 339 N 0.48 0.01 -0.54 2.27 2.07 -1.84 0.15 116.25 118.83 1lot h VAL 339 Ca 0.51 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.13 1lot h VAL 339 Cb 0.86 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1lot h VAL 339 CO -0.46 0.00 0.08 -0.25 0.02 0.00 0.00 177.57 176.96 1lot h TRP 340 N -1.25 0.12 -0.53 1.57 7.01 -1.79 -0.46 115.95 120.61 1lot h TRP 340 Ca -0.11 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1lot h TRP 340 Cb 0.99 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.06 1lot h TRP 340 CO -0.08 -0.05 0.35 0.82 -2.79 0.00 0.00 178.44 176.68 1lot h ILE 341 N 0.21 1.14 0.00 2.65 2.04 -0.52 0.47 117.51 123.49 1lot h ILE 341 Ca 0.28 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1lot h ILE 341 Cb 0.41 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1lot h ILE 341 CO -0.39 0.13 -0.16 1.23 0.00 0.00 0.00 178.15 178.96 1lot h GLY 342 N 0.72 0.00 1.16 5.37 0.00 0.08 -1.36 103.07 109.03 1lot h GLY 342 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.34 1lot h GLY 342 CO -0.04 0.00 -0.55 -1.33 0.00 0.00 0.00 176.54 174.62 1lot h GLY 343 N 0.63 0.97 0.93 4.60 0.00 0.22 -2.07 103.07 108.35 1lot h GLY 343 Ca -0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.19 1lot h GLY 343 CO 0.02 1.02 0.12 0.23 0.00 0.00 0.00 176.54 177.92 1lot h SER 344 N 0.68 0.30 -0.33 0.19 0.87 0.03 -1.14 113.55 114.15 1lot h SER 344 Ca 0.01 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1lot h SER 344 Cb 1.16 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1lot h SER 344 CO 0.12 0.32 0.10 0.40 -0.53 0.00 0.00 176.83 177.25 1lot h ILE 345 N 0.25 1.21 -0.30 2.23 2.04 -1.31 -2.49 117.51 119.14 1lot h ILE 345 Ca 0.08 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1lot h ILE 345 Cb 0.10 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1lot h ILE 345 CO -0.01 0.23 0.10 0.25 0.00 0.00 0.00 178.15 178.72 1lot h LEU 346 N 0.38 0.44 -1.79 1.44 7.12 -1.30 -2.50 115.31 119.10 1lot h LEU 346 Ca 0.11 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 1lot h LEU 346 Cb 0.25 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1lot h LEU 346 CO -0.00 0.52 -0.07 0.00 -0.13 0.00 0.00 178.44 178.75 1lot h ALA 347 N 0.94 1.08 -0.02 1.25 0.00 -1.20 -2.26 119.26 119.04 1lot h ALA 347 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1lot h ALA 347 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1lot h ALA 347 CO -0.00 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 1lot n SER 348 N -3.30 1.11 -4.78 0.00 3.41 -0.94 -4.83 113.62 104.30 1lot n SER 348 Ca -0.01 -1.40 -0.39 0.00 -0.26 0.00 0.00 58.87 56.82 1lot n SER 348 Cb 0.27 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1lot n SER 348 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1lot s LEU 349 N -1.95 4.56 0.30 1.04 1.43 -0.85 -4.95 118.68 118.26 1lot s LEU 349 Ca 0.40 1.63 0.07 0.00 -1.03 0.00 0.00 54.13 55.19 1lot s LEU 349 Cb 0.21 -3.36 0.49 0.00 0.03 0.00 0.00 46.19 43.56 1lot s LEU 349 CO 0.33 0.18 1.72 0.77 0.23 0.00 0.00 176.35 179.58 1lot h SER 350 N 4.17 0.23 1.10 2.29 4.64 -1.89 -2.27 113.55 121.81 1lot h SER 350 Ca -0.47 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1lot h SER 350 Cb 1.20 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1lot h SER 350 CO 0.66 0.61 -0.02 0.00 -0.87 0.00 0.00 176.83 177.21 1lot h THR 351 N 0.19 0.05 0.00 2.95 1.03 -1.94 -3.05 112.91 112.14 1lot h THR 351 Ca 0.02 -0.60 -0.17 0.00 -0.01 0.00 0.00 66.41 65.65 1lot h THR 351 Cb 0.79 1.57 -0.03 0.00 -1.07 0.00 0.00 68.15 69.41 1lot h THR 351 CO 0.06 0.02 -0.95 0.15 -0.01 0.00 0.00 175.52 174.79 1lot h PHE 352 N 0.00 0.00 -1.03 0.00 3.57 -1.67 -3.36 116.94 114.46 1lot h PHE 352 Ca -0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 1lot h PHE 352 Cb 0.57 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1lot h PHE 352 CO 0.00 0.74 0.76 1.96 -2.23 0.00 0.00 178.31 179.54 1lot h GLN 353 N 0.00 0.00 0.00 1.11 1.08 -1.44 0.80 115.11 116.66 1lot h GLN 353 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1lot h GLN 353 Cb 1.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 1lot h GLN 353 CO 0.09 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.97 1lot n GLN 354 N -4.14 0.38 0.10 1.46 10.64 -1.26 -3.45 117.38 121.11 1lot n GLN 354 Ca 0.22 0.01 0.09 0.00 -1.83 0.00 0.00 57.00 55.49 1lot n GLN 354 Cb 1.11 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 1lot n GLN 354 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1lot h MET 355 N 0.00 0.00 -6.95 2.61 2.86 0.38 -3.48 114.93 110.35 1lot h MET 355 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1lot h MET 355 Cb 0.29 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.13 1lot h MET 355 CO 0.00 0.06 0.06 0.91 1.06 0.00 0.00 176.91 179.00 1lot n TRP 356 N -2.76 0.54 -3.60 -0.22 7.02 -1.22 -4.94 117.44 112.25 1lot n TRP 356 Ca -0.01 0.39 -0.38 0.00 -1.02 0.00 0.00 57.50 56.48 1lot n TRP 356 Cb 0.60 -2.06 -0.11 0.00 -2.42 0.00 0.00 31.31 27.32 1lot n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1lot s ILE 357 N -1.87 5.21 0.54 -0.99 -1.09 0.75 -4.90 121.20 118.85 1lot s ILE 357 Ca 0.72 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.24 1lot s ILE 357 Cb -0.34 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1lot s ILE 357 CO 0.51 0.25 0.80 0.42 -1.23 0.00 0.00 174.94 175.70 1lot s THR 358 N 1.74 3.57 0.34 2.92 -4.23 -1.26 -1.03 115.64 117.69 1lot s THR 358 Ca 0.07 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1lot s THR 358 Cb -0.16 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.40 1lot s THR 358 CO 0.10 -0.32 1.81 0.50 -0.54 0.00 0.00 174.62 176.16 1lot h LYS 359 N 0.05 0.21 0.62 3.99 3.11 -1.45 -1.78 116.57 121.32 1lot h LYS 359 Ca -0.45 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.29 1lot h LYS 359 Cb 1.26 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1lot h LYS 359 CO 0.58 0.49 -0.30 1.96 -2.81 0.00 0.00 179.45 179.37 1lot h GLN 360 N 0.19 -0.80 -0.62 1.90 4.20 -1.94 0.21 115.11 118.25 1lot h GLN 360 Ca 0.03 0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.97 1lot h GLN 360 Cb 0.61 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1lot h GLN 360 CO 0.04 -0.50 0.49 0.93 -0.67 0.00 0.00 178.83 179.12 1lot h GLU 361 N -1.17 0.00 -0.00 1.46 5.08 -1.94 0.14 114.58 118.16 1lot h GLU 361 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1lot h GLU 361 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1lot h GLU 361 CO 0.14 0.00 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.14 1lot h TYR 362 N 0.00 0.10 -0.94 4.33 3.20 -1.07 -2.51 116.97 120.07 1lot h TYR 362 Ca 0.30 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1lot h TYR 362 Cb 1.27 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.47 1lot h TYR 362 CO 0.00 0.84 0.62 -0.44 -1.64 0.00 0.00 178.16 177.54 1lot h ASP 363 N -0.67 1.02 -0.05 -2.11 3.45 0.11 1.69 116.42 119.87 1lot h ASP 363 Ca -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1lot h ASP 363 Cb 0.86 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1lot h ASP 363 CO 0.02 0.70 0.00 -0.62 -1.57 0.00 0.00 179.24 177.77 1lot n GLU 364 N -4.44 1.24 0.00 3.56 1.02 0.34 -4.14 120.64 118.22 1lot n GLU 364 Ca 0.13 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1lot n GLU 364 Cb 0.10 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1lot n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lot n ALA 365 N -0.44 0.00 -0.88 0.62 0.00 -0.57 -5.04 120.51 114.20 1lot n ALA 365 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1lot n ALA 365 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1lot n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lot n GLY 366 N 0.00 -0.85 0.00 0.00 0.00 0.57 -4.64 105.19 100.26 1lot n GLY 366 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1lot n GLY 366 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lot n PRO 367 N -1.55 1.05 0.00 1.61 -0.02 -1.26 -3.68 135.00 131.14 1lot n PRO 367 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1lot n PRO 367 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1lot n PRO 367 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1lot n SER 368 N 0.00 0.00 0.11 2.55 3.41 -1.26 -4.63 113.62 113.79 1lot n SER 368 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1lot n SER 368 Cb 0.00 -0.67 0.44 0.00 -0.26 0.00 0.00 64.21 63.72 1lot n SER 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lot n ILE 369 N -1.52 0.98 1.49 -1.33 0.13 -1.24 -2.05 119.36 115.82 1lot n ILE 369 Ca 0.00 0.35 0.07 0.00 -1.10 0.00 0.00 62.75 62.07 1lot n ILE 369 Cb 0.00 -1.27 0.42 0.00 -0.84 0.00 0.00 39.64 37.95 1lot n ILE 369 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1lot n VAL 370 N -2.06 0.00 -3.19 9.51 0.24 -1.26 -4.59 118.33 116.97 1lot n VAL 370 Ca 0.01 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.86 1lot n VAL 370 Cb 0.16 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.07 1lot n VAL 370 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1lot s HIS 371 N -2.00 3.23 0.00 6.34 3.76 -0.87 -4.23 115.29 121.51 1lot s HIS 371 Ca 0.21 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 1lot s HIS 371 Cb 0.10 -3.94 0.00 0.00 1.11 0.00 0.00 32.58 29.84 1lot s HIS 371 CO 0.16 -1.18 0.00 2.89 -0.85 0.00 0.00 174.74 175.76 1lot n ARG 372 N 5.59 0.00 0.00 1.40 -4.01 -1.26 -5.15 116.66 113.23 1lot n ARG 372 Ca -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 1lot n ARG 372 Cb 0.43 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.85 1lot n ARG 372 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76