#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1i s TYR 16 N 0.00 -0.33 0.11 0.00 -0.85 -1.26 -4.75 117.35 110.27 1j1i s TYR 16 Ca 0.00 0.21 0.09 0.00 -0.52 0.00 0.00 57.07 56.84 1j1i s TYR 16 Cb 0.00 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1j1i s TYR 16 CO 0.00 -0.51 -0.18 0.08 -1.52 0.00 0.00 175.55 173.42 1j1i s VAL 17 N -3.03 2.84 -0.07 -3.49 1.01 0.03 -4.89 120.40 112.81 1j1i s VAL 17 Ca 0.05 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 1j1i s VAL 17 Cb -0.01 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1j1i s VAL 17 CO -0.08 0.13 0.44 -0.70 0.00 0.00 0.00 175.10 174.88 1j1i s GLU 18 N -2.06 4.18 0.16 2.72 2.12 -1.26 -0.76 118.70 123.80 1j1i s GLU 18 Ca 0.18 0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.93 1j1i s GLU 18 Cb -0.11 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1j1i s GLU 18 CO 0.10 0.38 0.01 1.03 -0.54 0.00 0.00 175.26 176.23 1j1i s ARG 19 N -0.08 1.04 0.03 4.30 3.00 0.00 -5.00 118.95 122.25 1j1i s ARG 19 Ca 0.24 -1.49 0.02 0.00 0.00 0.00 0.00 55.73 54.50 1j1i s ARG 19 Cb -0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 34.95 34.61 1j1i s ARG 19 CO 0.11 -0.14 -0.08 -0.06 0.00 0.00 0.00 175.30 175.13 1j1i s PHE 20 N -3.73 0.70 -0.01 -0.53 0.40 -1.26 -1.16 117.98 112.39 1j1i s PHE 20 Ca 0.23 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 56.05 1j1i s PHE 20 Cb 0.06 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.19 1j1i s PHE 20 CO 0.03 -0.04 0.28 0.54 0.70 0.00 0.00 175.22 176.72 1j1i s VAL 21 N -0.98 0.06 -0.52 -0.44 0.11 -0.28 -4.95 120.40 113.40 1j1i s VAL 21 Ca -0.05 -0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 58.23 1j1i s VAL 21 Cb -0.08 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1j1i s VAL 21 CO 0.00 -0.28 0.96 0.21 -3.33 0.00 0.00 175.10 172.66 1j1i s ASN 22 N -1.34 6.40 -0.92 3.54 3.84 -1.26 -0.01 114.94 125.19 1j1i s ASN 22 Ca -0.14 -0.15 -0.14 0.00 0.21 0.00 0.00 52.86 52.64 1j1i s ASN 22 Cb -0.06 -2.45 0.20 0.00 -0.55 0.00 0.00 41.25 38.39 1j1i s ASN 22 CO 0.04 -1.20 0.94 0.00 -2.79 0.00 0.00 177.10 174.10 1j1i s ALA 23 N 3.99 4.01 -1.44 1.71 0.00 -0.08 -4.57 121.76 125.39 1j1i s ALA 23 Ca 0.34 -3.28 -0.02 0.00 0.00 0.00 0.00 51.96 49.00 1j1i s ALA 23 Cb -0.11 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.33 1j1i s ALA 23 CO 0.22 -2.46 0.20 0.41 0.00 0.00 0.00 175.76 174.13 1j1i n GLY 24 N 4.14 -0.50 0.00 0.00 0.00 -1.26 -1.80 105.19 105.76 1j1i n GLY 24 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1j1i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1i n GLY 25 N -1.09 1.91 3.28 -0.02 0.00 -1.26 -5.06 105.19 102.95 1j1i n GLY 25 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1j1i n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j1i s VAL 26 N -2.24 3.85 0.26 1.61 1.01 -0.75 -5.06 120.40 119.07 1j1i s VAL 26 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 1j1i s VAL 26 Cb 0.00 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 33.08 1j1i s VAL 26 CO 0.00 -0.19 1.65 -1.61 0.00 0.00 0.00 175.10 174.95 1j1i s GLU 27 N 1.41 4.11 -0.02 2.72 0.41 -1.26 -0.90 118.70 125.17 1j1i s GLU 27 Ca -0.01 2.61 0.04 0.00 -0.41 0.00 0.00 54.97 57.19 1j1i s GLU 27 Cb -0.20 -3.04 -0.00 0.00 -1.78 0.00 0.00 34.13 29.11 1j1i s GLU 27 CO 0.03 -0.69 -0.14 0.99 -0.49 0.00 0.00 175.26 174.96 1j1i s THR 28 N 0.47 1.13 -0.15 3.63 2.01 0.98 -1.07 115.64 122.65 1j1i s THR 28 Ca 0.68 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 1j1i s THR 28 Cb -0.49 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1j1i s THR 28 CO 0.42 0.33 0.11 -0.60 -0.69 0.00 0.00 174.62 174.19 1j1i s ARG 29 N -0.08 3.67 0.10 4.92 3.00 -1.26 -1.12 118.95 128.16 1j1i s ARG 29 Ca 0.00 -0.22 -0.04 0.00 -1.00 0.00 0.00 55.73 54.48 1j1i s ARG 29 Cb -0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 34.95 31.63 1j1i s ARG 29 CO 0.01 0.57 0.09 1.52 0.00 0.00 0.00 175.30 177.48 1j1i s TYR 30 N -0.44 0.51 -0.08 5.12 1.13 -0.31 -1.58 117.35 121.70 1j1i s TYR 30 Ca 0.11 -0.96 0.01 0.00 -1.41 0.00 0.00 57.07 54.82 1j1i s TYR 30 Cb -0.12 -0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 40.43 1j1i s TYR 30 CO 0.02 -0.50 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.96 1j1i s LEU 31 N -2.95 3.07 0.02 -3.49 1.02 0.33 -0.82 118.68 115.86 1j1i s LEU 31 Ca 0.12 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1j1i s LEU 31 Cb 0.06 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 1j1i s LEU 31 CO -0.06 0.32 -0.10 -0.70 0.02 0.00 0.00 176.35 175.83 1j1i s GLU 32 N -0.53 0.73 -0.18 1.70 2.12 0.06 -0.75 118.70 121.86 1j1i s GLU 32 Ca 0.08 -0.51 -0.28 0.00 0.36 0.00 0.00 54.97 54.61 1j1i s GLU 32 Cb -0.12 -0.68 0.10 0.00 0.26 0.00 0.00 34.13 33.69 1j1i s GLU 32 CO 0.02 0.17 0.84 0.00 -0.54 0.00 0.00 175.26 175.76 1j1i s ALA 33 N -0.59 -1.86 0.00 6.30 0.00 -0.81 -0.79 121.76 124.01 1j1i s ALA 33 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1j1i s ALA 33 Cb -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1j1i s ALA 33 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1j1i n GLY 34 N 1.54 -0.29 3.12 0.00 0.00 -1.26 0.27 105.19 108.56 1j1i n GLY 34 Ca -0.14 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 1j1i n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1i s LYS 35 N -1.63 0.70 0.00 1.61 1.02 -1.15 -4.47 119.74 115.83 1j1i s LYS 35 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1j1i s LYS 35 Cb 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 1j1i s LYS 35 CO 0.00 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1j1i n GLY 36 N 0.34 -0.15 3.73 -3.33 0.00 -1.26 -3.01 105.19 101.51 1j1i n GLY 36 Ca -0.15 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1j1i n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j1i n GLN 37 N 0.00 2.45 -2.68 1.61 1.13 -1.26 -3.92 117.38 114.70 1j1i n GLN 37 Ca 0.00 0.87 -0.42 0.00 -1.94 0.00 0.00 57.00 55.51 1j1i n GLN 37 Cb 0.00 -2.57 -0.04 0.00 0.11 0.00 0.00 30.24 27.74 1j1i n GLN 37 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1j1i s PRO 38 N -1.11 4.62 -0.11 -1.09 0.04 -1.26 -1.06 135.00 135.03 1j1i s PRO 38 Ca 0.61 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1j1i s PRO 38 Cb -0.54 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.62 1j1i s PRO 38 CO 0.55 0.06 -0.10 0.08 0.04 0.00 0.00 177.00 177.63 1j1i s VAL 39 N 0.46 1.15 -0.21 -0.36 1.01 -0.16 -1.88 120.40 120.41 1j1i s VAL 39 Ca 0.50 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1j1i s VAL 39 Cb -0.23 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1j1i s VAL 39 CO 0.29 0.38 0.11 -0.63 0.00 0.00 0.00 175.10 175.25 1j1i s ILE 40 N 1.40 5.01 -0.18 2.22 1.01 0.19 -0.50 121.20 130.34 1j1i s ILE 40 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1j1i s ILE 40 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1j1i s ILE 40 CO -0.05 0.40 0.08 -0.76 0.00 0.00 0.00 174.94 174.60 1j1i s LEU 41 N 0.77 3.91 -0.22 2.97 1.43 0.41 -0.32 118.68 127.64 1j1i s LEU 41 Ca 0.06 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1j1i s LEU 41 Cb -0.13 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1j1i s LEU 41 CO 0.02 0.19 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 1j1i s ILE 42 N 0.31 2.26 1.03 -0.59 -1.09 0.25 -1.85 121.20 121.52 1j1i s ILE 42 Ca 0.05 -1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 1j1i s ILE 42 Cb -0.12 -2.10 0.21 0.00 -1.58 0.00 0.00 42.46 38.87 1j1i s ILE 42 CO -0.00 0.31 1.07 -1.38 -1.23 0.00 0.00 174.94 173.71 1j1i s HIS 43 N 1.24 1.75 0.73 3.97 -3.43 -1.26 -1.84 115.29 116.45 1j1i s HIS 43 Ca 0.00 1.27 -0.07 0.00 -0.80 0.00 0.00 55.06 55.46 1j1i s HIS 43 Cb -0.16 -3.18 0.16 0.00 -1.43 0.00 0.00 32.58 27.97 1j1i s HIS 43 CO -0.09 -3.19 0.99 0.41 -2.00 0.00 0.00 174.74 170.86 1j1i n GLY 44 N -0.06 -0.36 0.00 -1.38 0.00 -1.23 -2.60 105.19 99.56 1j1i n GLY 44 Ca 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1j1i n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1i n GLY 45 N -2.00 -0.76 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.44 1j1i n GLY 45 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1j1i n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1i n GLY 46 N 5.00 2.23 3.71 -0.02 0.00 -1.26 -4.64 105.19 110.22 1j1i n GLY 46 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1j1i n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1i s ALA 47 N -1.61 3.84 0.00 4.61 0.00 -1.26 -1.94 121.76 125.39 1j1i s ALA 47 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1j1i s ALA 47 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1j1i s ALA 47 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1j1i n GLY 48 N 3.91 0.69 3.72 0.00 0.00 -1.26 -4.63 105.19 107.62 1j1i n GLY 48 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1j1i n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1i s ALA 49 N -2.79 3.28 0.35 4.61 0.00 -0.82 -4.60 121.76 121.79 1j1i s ALA 49 Ca 0.00 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 1j1i s ALA 49 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1j1i s ALA 49 CO 0.00 -0.24 0.79 -1.83 0.00 0.00 0.00 175.76 174.48 1j1i s GLU 50 N 0.52 2.10 0.20 0.00 4.04 -1.26 -3.90 118.70 120.40 1j1i s GLU 50 Ca 0.52 -1.31 -0.11 0.00 0.04 0.00 0.00 54.97 54.11 1j1i s GLU 50 Cb -0.26 0.61 0.23 0.00 0.02 0.00 0.00 34.13 34.73 1j1i s GLU 50 CO 0.30 -0.98 1.77 0.77 -1.84 0.00 0.00 175.26 175.28 1j1i h SER 51 N 2.00 0.33 0.11 0.83 0.02 -1.90 -2.43 113.55 112.51 1j1i h SER 51 Ca -0.29 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1j1i h SER 51 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1j1i h SER 51 CO 0.37 0.21 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.13 1j1i h GLU 52 N 0.48 -0.14 -0.22 3.45 4.81 -1.95 -0.81 114.58 120.20 1j1i h GLU 52 Ca 0.28 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1j1i h GLU 52 Cb 0.27 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1j1i h GLU 52 CO -0.24 0.10 -0.06 0.78 -0.73 0.00 0.00 179.01 178.87 1j1i h GLY 53 N -0.37 0.37 1.50 1.92 0.00 -1.94 -0.51 103.07 104.04 1j1i h GLY 53 Ca -0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 47.33 46.81 1j1i h GLY 53 CO 0.02 0.20 -1.33 3.43 0.00 0.00 0.00 176.54 178.86 1j1i h ASN 54 N 0.33 0.57 -0.03 0.19 -0.26 -1.37 -3.40 115.58 111.60 1j1i h ASN 54 Ca 0.07 -0.61 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1j1i h ASN 54 Cb 0.32 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1j1i h ASN 54 CO 0.01 1.48 0.00 0.79 -1.06 0.00 0.00 177.43 178.65 1j1i n TRP 55 N -3.59 0.04 -0.38 1.19 7.02 -0.32 -4.57 117.44 116.84 1j1i n TRP 55 Ca -0.11 -0.28 -0.07 0.00 -1.02 0.00 0.00 57.50 56.01 1j1i n TRP 55 Cb 1.05 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.87 1j1i n TRP 55 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1j1i n ARG 56 N -0.14 -0.34 0.00 -0.99 0.63 -0.21 -0.84 116.66 114.78 1j1i n ARG 56 Ca 0.02 1.42 0.14 0.00 -0.92 0.00 0.00 57.85 58.50 1j1i n ARG 56 Cb 0.18 -2.09 0.64 0.00 0.45 0.00 0.00 32.46 31.64 1j1i n ARG 56 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1j1i n ASN 57 N -5.24 0.22 -0.07 6.15 3.02 -1.26 -3.88 115.26 114.20 1j1i n ASN 57 Ca 0.05 -0.23 -0.18 0.00 -0.03 0.00 0.00 54.58 54.18 1j1i n ASN 57 Cb 0.29 -0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1j1i n ASN 57 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j1i n VAL 58 N -1.20 1.61 -0.18 2.41 0.31 -0.02 -4.51 118.33 116.75 1j1i n VAL 58 Ca 0.13 -0.64 -0.02 0.00 -0.01 0.00 0.00 64.34 63.79 1j1i n VAL 58 Cb 0.28 -1.45 0.04 0.00 -0.91 0.00 0.00 33.84 31.80 1j1i n VAL 58 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1j1i h ILE 59 N 0.03 0.43 -0.66 2.52 2.04 -1.25 -2.02 117.51 118.58 1j1i h ILE 59 Ca -0.50 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1j1i h ILE 59 Cb 1.99 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 1j1i h ILE 59 CO 0.00 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.81 1j1i h PRO 60 N -0.02 0.52 0.06 2.37 0.11 -1.80 0.21 132.00 133.46 1j1i h PRO 60 Ca 0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1j1i h PRO 60 Cb 0.42 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1j1i h PRO 60 CO -0.57 0.35 -0.03 0.82 -0.21 0.00 0.00 178.00 178.36 1j1i h ILE 61 N 0.54 1.08 -0.48 4.15 2.04 -1.63 -3.08 117.51 120.13 1j1i h ILE 61 Ca 0.33 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1j1i h ILE 61 Cb 0.35 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1j1i h ILE 61 CO -0.27 0.12 -0.03 -0.07 0.00 0.00 0.00 178.15 177.90 1j1i h LEU 62 N -0.29 0.78 -0.57 1.44 3.38 -1.08 -2.76 115.31 116.22 1j1i h LEU 62 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1j1i h LEU 62 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1j1i h LEU 62 CO 0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1j1i n ALA 63 N -2.48 1.15 0.38 1.53 0.00 0.72 -1.19 120.51 120.62 1j1i n ALA 63 Ca 0.02 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1j1i n ALA 63 Cb 0.32 -1.17 0.47 0.00 0.00 0.00 0.00 19.45 19.07 1j1i n ALA 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j1i h ARG 64 N 0.00 0.00 0.00 0.00 9.65 -1.43 -3.35 114.38 119.25 1j1i h ARG 64 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j1i h ARG 64 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1j1i h ARG 64 CO 0.00 0.00 -0.15 0.72 2.80 0.00 0.00 179.97 183.34 1j1i n HIS 65 N -2.66 0.00 -4.13 2.20 8.25 -0.33 -4.99 115.22 113.56 1j1i n HIS 65 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1j1i n HIS 65 Cb 0.35 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 1j1i n HIS 65 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1j1i s TYR 66 N -0.63 0.87 -0.52 4.41 1.51 -0.56 -4.57 117.35 117.85 1j1i s TYR 66 Ca 0.00 -1.17 -0.23 0.00 -1.01 0.00 0.00 57.07 54.66 1j1i s TYR 66 Cb 0.00 -0.37 0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1j1i s TYR 66 CO 0.00 -0.67 0.88 0.50 -1.11 0.00 0.00 175.55 175.15 1j1i s ARG 67 N -4.09 3.33 -0.14 -0.62 3.52 -0.22 -2.91 118.95 117.82 1j1i s ARG 67 Ca 0.30 -0.28 -0.19 0.00 -0.13 0.00 0.00 55.73 55.44 1j1i s ARG 67 Cb 0.06 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1j1i s ARG 67 CO 0.08 -1.38 0.51 0.08 -0.81 0.00 0.00 175.30 173.78 1j1i s VAL 68 N 3.68 5.15 -0.26 7.11 1.01 0.14 -0.99 120.40 136.24 1j1i s VAL 68 Ca 0.29 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 1j1i s VAL 68 Cb -0.13 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.48 1j1i s VAL 68 CO 0.19 0.28 0.02 -0.63 0.00 0.00 0.00 175.10 174.96 1j1i s ILE 69 N 0.93 1.24 -0.44 2.22 -1.09 0.34 -1.92 121.20 122.49 1j1i s ILE 69 Ca 0.27 -1.26 -0.16 0.00 -2.23 0.00 0.00 60.65 57.26 1j1i s ILE 69 Cb -0.15 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.05 1j1i s ILE 69 CO 0.11 -0.33 0.41 0.00 -1.23 0.00 0.00 174.94 173.90 1j1i s ALA 70 N 1.49 3.47 -0.15 9.38 0.00 0.07 -0.44 121.76 135.57 1j1i s ALA 70 Ca 0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 1j1i s ALA 70 Cb -0.18 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1j1i s ALA 70 CO -0.12 -1.64 0.17 1.41 0.00 0.00 0.00 175.76 175.58 1j1i s MET 71 N 1.96 3.86 -0.07 0.00 1.75 -0.77 -0.51 119.30 125.52 1j1i s MET 71 Ca 0.09 -0.12 -0.27 0.00 -1.25 0.00 0.00 55.69 54.14 1j1i s MET 71 Cb -0.19 -3.31 -0.03 0.00 2.84 0.00 0.00 34.83 34.14 1j1i s MET 71 CO 0.11 0.52 0.88 -0.51 -0.65 0.00 0.00 175.02 175.37 1j1i s ASP 72 N -0.30 7.16 0.81 1.11 1.11 -0.61 -4.34 116.67 121.61 1j1i s ASP 72 Ca 0.13 1.41 -0.11 0.00 0.18 0.00 0.00 52.55 54.16 1j1i s ASP 72 Cb -0.12 -2.50 0.08 0.00 1.07 0.00 0.00 42.92 41.45 1j1i s ASP 72 CO 0.02 -0.28 1.10 -0.04 1.18 0.00 0.00 175.17 177.15 1j1i s MET 73 N 1.33 1.90 -0.02 8.23 -1.94 -1.26 -4.66 119.30 122.88 1j1i s MET 73 Ca 0.45 1.16 -0.37 0.00 -1.71 0.00 0.00 55.69 55.22 1j1i s MET 73 Cb -0.19 -1.86 -0.15 0.00 2.01 0.00 0.00 34.83 34.64 1j1i s MET 73 CO 0.21 -1.89 1.57 -0.11 -0.01 0.00 0.00 175.02 174.78 1j1i n LEU 74 N -3.69 2.38 0.00 -0.03 7.94 -1.26 -0.89 117.00 121.44 1j1i n LEU 74 Ca 0.09 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1j1i n LEU 74 Cb 0.53 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1j1i n LEU 74 CO 0.53 -0.60 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1j1i n GLY 75 N 3.39 1.48 3.63 -3.96 0.00 -0.94 -5.02 105.19 103.78 1j1i n GLY 75 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1j1i n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j1i s PHE 76 N -3.06 2.57 0.00 1.61 0.40 -0.07 -4.50 117.98 114.94 1j1i s PHE 76 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1j1i s PHE 76 Cb 0.00 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1j1i s PHE 76 CO 0.00 0.51 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1j1i n GLY 77 N -0.93 2.96 0.90 4.36 0.00 -1.25 -1.52 105.19 109.70 1j1i n GLY 77 Ca -0.05 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1j1i n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j1i n LYS 78 N 14.00 2.10 -2.01 1.61 5.02 -1.26 -4.94 118.16 132.69 1j1i n LYS 78 Ca 0.00 -1.96 -0.33 0.00 -2.02 0.00 0.00 58.31 54.00 1j1i n LYS 78 Cb 0.00 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1j1i n LYS 78 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1j1i s THR 79 N -1.35 3.76 0.55 -0.18 2.01 -0.58 -4.48 115.64 115.37 1j1i s THR 79 Ca 0.29 0.83 -0.20 0.00 0.31 0.00 0.00 61.69 62.91 1j1i s THR 79 Cb 0.18 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 1j1i s THR 79 CO 0.25 -0.50 1.11 0.00 -0.69 0.00 0.00 174.62 174.79 1j1i n ALA 80 N -2.10 0.68 -3.39 7.40 0.00 -0.23 -4.47 120.51 118.40 1j1i n ALA 80 Ca 0.09 0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 1j1i n ALA 80 Cb 0.53 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 1j1i n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j1i n LYS 81 N -0.85 1.50 -1.22 0.00 5.02 -1.26 -2.21 118.16 119.15 1j1i n LYS 81 Ca 0.12 -3.94 -0.31 0.00 -2.02 0.00 0.00 58.31 52.16 1j1i n LYS 81 Cb 0.45 -1.81 0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1j1i n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1j1i s PRO 82 N -1.58 1.82 -1.14 1.97 0.04 -1.26 -4.91 135.00 129.93 1j1i s PRO 82 Ca 0.35 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 1j1i s PRO 82 Cb 0.12 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.89 1j1i s PRO 82 CO -0.09 -1.91 1.52 0.34 0.04 0.00 0.00 177.00 176.90 1j1i s ASP 83 N -3.38 6.72 0.31 6.66 2.15 -1.26 -4.90 116.67 122.98 1j1i s ASP 83 Ca 0.62 -2.11 0.05 0.00 0.43 0.00 0.00 52.55 51.54 1j1i s ASP 83 Cb -0.18 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 1j1i s ASP 83 CO 0.56 -1.23 0.23 0.27 -0.17 0.00 0.00 175.17 174.84 1j1i s ILE 84 N 3.98 0.05 -0.23 4.11 -4.36 -1.26 -5.12 121.20 118.37 1j1i s ILE 84 Ca 0.47 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.62 1j1i s ILE 84 Cb 0.01 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 1j1i s ILE 84 CO -0.02 0.00 0.79 -0.70 0.24 0.00 0.00 174.94 175.25 1j1i s GLU 85 N -3.62 4.19 -1.02 0.37 2.12 -1.26 -4.98 118.70 114.50 1j1i s GLU 85 Ca 0.39 0.87 -0.19 0.00 0.36 0.00 0.00 54.97 56.41 1j1i s GLU 85 Cb 0.03 -3.63 0.11 0.00 0.26 0.00 0.00 34.13 30.91 1j1i s GLU 85 CO 0.23 -0.46 1.29 0.71 -0.54 0.00 0.00 175.26 176.50 1j1i s TYR 86 N 2.63 3.01 0.31 5.30 2.02 -1.26 -4.89 117.35 124.48 1j1i s TYR 86 Ca 0.34 -1.38 0.07 0.00 -0.37 0.00 0.00 57.07 55.72 1j1i s TYR 86 Cb -0.15 -4.42 -0.02 0.00 -0.40 0.00 0.00 41.96 36.96 1j1i s TYR 86 CO 0.08 -1.61 0.40 0.95 -1.57 0.00 0.00 175.55 173.80 1j1i s THR 87 N 3.19 4.19 0.34 -0.71 -4.23 -1.26 -4.69 115.64 112.46 1j1i s THR 87 Ca 0.39 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1j1i s THR 87 Cb -0.03 -3.44 0.15 0.00 1.34 0.00 0.00 72.50 70.53 1j1i s THR 87 CO -0.07 -0.20 1.87 -0.61 -0.54 0.00 0.00 174.62 175.07 1j1i h GLN 88 N 1.05 0.51 -1.01 3.99 5.75 -1.97 -1.66 115.11 121.76 1j1i h GLN 88 Ca -0.47 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1j1i h GLN 88 Cb 1.25 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.67 1j1i h GLN 88 CO 0.56 0.55 0.66 -0.44 -2.65 0.00 0.00 178.83 177.51 1j1i h ASP 89 N 0.48 1.12 -0.36 -0.69 5.19 -1.98 -1.22 116.42 118.97 1j1i h ASP 89 Ca 0.10 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 1j1i h ASP 89 Cb 0.35 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1j1i h ASP 89 CO 0.01 0.78 -0.17 -0.09 -3.12 0.00 0.00 179.24 176.65 1j1i h ARG 90 N 1.31 0.84 -0.35 3.56 9.65 -1.66 -1.40 114.38 126.33 1j1i h ARG 90 Ca 0.39 -0.32 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 1j1i h ARG 90 Cb -0.06 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1j1i h ARG 90 CO -0.11 0.95 -0.31 0.00 2.80 0.00 0.00 179.97 183.30 1j1i h ARG 91 N 0.74 0.75 -0.17 0.20 3.08 -1.00 -0.91 114.38 117.07 1j1i h ARG 91 Ca 0.11 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1j1i h ARG 91 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1j1i h ARG 91 CO 0.05 0.96 0.07 0.82 -1.07 0.00 0.00 179.97 180.80 1j1i h ILE 92 N 0.64 1.17 -0.91 2.04 2.04 -1.03 -1.47 117.51 119.97 1j1i h ILE 92 Ca 0.07 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1j1i h ILE 92 Cb 0.84 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1j1i h ILE 92 CO 0.07 0.16 0.60 -0.09 0.00 0.00 0.00 178.15 178.89 1j1i h ARG 93 N 0.12 1.19 -0.20 2.37 2.43 -1.16 -1.06 114.38 118.07 1j1i h ARG 93 Ca 0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1j1i h ARG 93 Cb 0.19 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1j1i h ARG 93 CO -0.00 0.79 0.13 1.25 -1.51 0.00 0.00 179.97 180.63 1j1i h HIS 94 N 1.23 0.26 -0.94 2.20 2.76 -0.87 0.62 115.15 120.41 1j1i h HIS 94 Ca 0.34 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1j1i h HIS 94 Cb -0.13 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1j1i h HIS 94 CO -0.01 0.16 0.56 1.25 -1.30 0.00 0.00 177.93 178.59 1j1i h LEU 95 N 0.28 1.13 -0.26 0.26 5.85 -0.87 0.12 115.31 121.81 1j1i h LEU 95 Ca 0.08 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1j1i h LEU 95 Cb -0.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1j1i h LEU 95 CO -0.02 0.87 0.16 -0.74 -0.34 0.00 0.00 178.44 178.37 1j1i h HIS 96 N 1.29 0.30 -0.57 1.25 2.76 -0.63 -1.12 115.15 118.42 1j1i h HIS 96 Ca 0.34 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.44 1j1i h HIS 96 Cb -0.05 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1j1i h HIS 96 CO 0.01 0.18 0.05 -0.44 -1.30 0.00 0.00 177.93 176.42 1j1i h ASP 97 N 0.32 0.91 -0.20 3.26 3.32 -0.22 -1.99 116.42 121.83 1j1i h ASP 97 Ca 0.10 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1j1i h ASP 97 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1j1i h ASP 97 CO -0.04 0.94 0.09 0.15 -1.72 0.00 0.00 179.24 178.66 1j1i h PHE 98 N 0.89 0.30 -0.24 4.55 3.04 -0.49 0.12 116.94 125.11 1j1i h PHE 98 Ca 0.17 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.14 1j1i h PHE 98 Cb 0.45 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 1j1i h PHE 98 CO 0.03 0.32 0.02 0.82 -2.02 0.00 0.00 178.31 177.47 1j1i h ILE 99 N 0.19 0.85 -0.71 1.41 2.04 -1.03 -0.41 117.51 119.85 1j1i h ILE 99 Ca 0.07 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1j1i h ILE 99 Cb 0.14 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1j1i h ILE 99 CO -0.01 0.02 0.37 0.11 0.00 0.00 0.00 178.15 178.64 1j1i h LYS 100 N 0.10 1.00 0.00 2.37 1.79 -1.16 -2.60 116.57 118.07 1j1i h LYS 100 Ca 0.11 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1j1i h LYS 100 Cb 0.13 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1j1i h LYS 100 CO -0.18 0.76 -0.24 0.00 -1.08 0.00 0.00 179.45 178.72 1j1i h ALA 101 N 1.18 1.31 -2.37 3.86 0.00 -0.28 -3.44 119.26 119.52 1j1i h ALA 101 Ca 0.25 -0.22 -0.50 0.00 0.00 0.00 0.00 54.91 54.44 1j1i h ALA 101 Cb 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 17.93 1j1i h ALA 101 CO -0.04 0.30 0.35 -1.64 0.00 0.00 0.00 179.25 178.22 1j1i s MET 102 N -4.14 2.46 -1.19 0.00 -1.94 -0.21 -4.97 119.30 109.32 1j1i s MET 102 Ca -0.02 0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 54.66 1j1i s MET 102 Cb 0.13 -1.95 0.21 0.00 2.01 0.00 0.00 34.83 35.24 1j1i s MET 102 CO 0.65 -1.40 1.43 0.27 -0.01 0.00 0.00 175.02 175.96 1j1i n ASN 103 N -3.31 5.41 -4.54 3.03 6.94 -1.26 -4.98 115.26 116.54 1j1i n ASN 103 Ca 0.07 -3.06 -0.34 0.00 -0.02 0.00 0.00 54.58 51.23 1j1i n ASN 103 Cb 0.55 -1.47 -0.11 0.00 -2.36 0.00 0.00 39.78 36.38 1j1i n ASN 103 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1j1i s PHE 104 N 0.16 3.08 0.01 -2.53 2.99 -1.26 -5.00 117.98 115.42 1j1i s PHE 104 Ca 0.38 -0.17 0.17 0.00 0.00 0.00 0.00 56.93 57.31 1j1i s PHE 104 Cb -0.02 -1.95 0.34 0.00 0.00 0.00 0.00 43.02 41.39 1j1i s PHE 104 CO -0.01 0.06 1.57 -0.44 -0.00 0.00 0.00 175.22 176.41 1j1i h ASP 105 N 6.49 0.00 0.00 1.36 3.32 -2.00 -3.48 116.42 122.11 1j1i h ASP 105 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1j1i h ASP 105 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1j1i h ASP 105 CO 0.63 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 179.23 1j1i n GLY 106 N 0.78 4.84 3.80 2.75 0.00 -1.26 -5.16 105.19 110.93 1j1i n GLY 106 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1j1i n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j1i s LYS 107 N 3.84 2.02 0.10 1.61 1.02 -1.26 -5.00 119.74 122.07 1j1i s LYS 107 Ca 0.00 0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.69 1j1i s LYS 107 Cb 0.00 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1j1i s LYS 107 CO 0.00 -1.67 -0.11 0.14 -0.92 0.00 0.00 175.35 172.79 1j1i s VAL 108 N -3.14 1.06 0.10 3.17 -7.23 -0.44 -4.69 120.40 109.23 1j1i s VAL 108 Ca 0.61 -1.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 1j1i s VAL 108 Cb -0.15 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 1j1i s VAL 108 CO 0.54 -0.51 0.41 -0.44 -0.31 0.00 0.00 175.10 174.80 1j1i s SER 109 N -2.42 6.62 -0.09 4.85 0.01 -0.79 -1.11 113.70 120.77 1j1i s SER 109 Ca 0.06 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.12 1j1i s SER 109 Cb -0.04 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1j1i s SER 109 CO 0.01 0.13 -0.18 -0.63 0.41 0.00 0.00 173.24 172.98 1j1i s ILE 110 N -1.48 1.58 -0.17 1.44 1.01 0.05 -0.64 121.20 122.99 1j1i s ILE 110 Ca 0.36 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1j1i s ILE 110 Cb -0.13 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1j1i s ILE 110 CO 0.20 0.45 -0.15 -0.69 0.00 0.00 0.00 174.94 174.75 1j1i s VAL 111 N 0.60 1.73 0.01 2.92 1.01 0.56 -0.18 120.40 127.07 1j1i s VAL 111 Ca -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1j1i s VAL 111 Cb -0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1j1i s VAL 111 CO 0.05 0.44 -0.04 -0.83 0.00 0.00 0.00 175.10 174.72 1j1i s GLY 112 N 1.41 0.24 -0.11 4.51 0.00 -0.63 0.88 107.32 113.63 1j1i s GLY 112 Ca 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1j1i s GLY 112 CO -0.11 -0.41 0.03 0.21 0.00 0.00 0.00 173.10 172.82 1j1i s ASN 113 N -0.79 5.48 0.00 1.64 3.84 -0.77 -1.42 114.94 122.94 1j1i s ASN 113 Ca -0.06 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.20 1j1i s ASN 113 Cb -0.05 -1.66 0.00 0.00 -0.55 0.00 0.00 41.25 38.99 1j1i s ASN 113 CO -0.00 0.35 0.00 -1.54 -2.79 0.00 0.00 177.10 173.12 1j1i n SER 114 N 2.33 0.00 -0.27 -4.21 3.41 -0.84 0.25 113.62 114.29 1j1i n SER 114 Ca -0.19 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1j1i n SER 114 Cb 0.54 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.85 1j1i n SER 114 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1j1i h MET 115 N 0.00 0.70 -0.25 4.33 1.85 -1.87 0.21 114.93 119.90 1j1i h MET 115 Ca 0.00 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 58.98 1j1i h MET 115 Cb 0.00 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 1j1i h MET 115 CO 0.00 0.46 -0.13 0.78 -0.40 0.00 0.00 176.91 177.63 1j1i h GLY 116 N 0.72 0.45 0.95 1.39 0.00 0.06 -1.44 103.07 105.21 1j1i h GLY 116 Ca 0.44 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 1j1i h GLY 116 CO -0.20 0.28 -0.24 -1.33 0.00 0.00 0.00 176.54 175.05 1j1i h GLY 117 N 0.88 0.74 1.30 4.60 0.00 -0.25 -1.20 103.07 109.14 1j1i h GLY 117 Ca 0.07 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1j1i h GLY 117 CO 0.03 0.66 0.37 0.00 0.00 0.00 0.00 176.54 177.60 1j1i h ALA 118 N 0.72 1.39 -0.27 3.60 0.00 -0.82 0.37 119.26 124.24 1j1i h ALA 118 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1j1i h ALA 118 Cb 0.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j1i h ALA 118 CO 0.06 0.51 -0.53 1.15 0.00 0.00 0.00 179.25 180.43 1j1i h THR 119 N 0.94 1.29 -0.48 0.00 2.02 -1.11 -0.73 112.91 114.84 1j1i h THR 119 Ca 0.24 -1.73 -0.10 0.00 0.77 0.00 0.00 66.41 65.59 1j1i h THR 119 Cb 0.02 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1j1i h THR 119 CO -0.04 0.56 -0.09 1.23 0.37 0.00 0.00 175.52 177.55 1j1i h GLY 120 N 0.80 0.92 0.97 2.16 0.00 -0.75 -2.09 103.07 105.09 1j1i h GLY 120 Ca 0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1j1i h GLY 120 CO 0.12 0.64 0.20 -2.00 0.00 0.00 0.00 176.54 175.50 1j1i h LEU 121 N 0.77 0.71 -0.46 3.11 6.46 -0.76 -0.43 115.31 124.71 1j1i h LEU 121 Ca 0.13 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1j1i h LEU 121 Cb 0.59 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1j1i h LEU 121 CO 0.04 0.69 0.28 1.23 -0.62 0.00 0.00 178.44 180.06 1j1i h GLY 122 N 0.69 0.65 1.57 3.75 0.00 -0.83 -1.87 103.07 107.05 1j1i h GLY 122 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1j1i h GLY 122 CO -0.01 0.19 -0.09 -2.08 0.00 0.00 0.00 176.54 174.54 1j1i h VAL 123 N 0.57 1.22 0.00 4.60 2.07 -1.14 -0.75 116.25 122.82 1j1i h VAL 123 Ca 0.18 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1j1i h VAL 123 Cb -0.01 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1j1i h VAL 123 CO -0.07 0.32 0.00 0.28 0.02 0.00 0.00 177.57 178.12 1j1i h SER 124 N 0.48 0.00 0.00 0.57 0.02 -0.28 0.21 113.55 114.55 1j1i h SER 124 Ca 0.09 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.61 1j1i h SER 124 Cb 0.46 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 1j1i h SER 124 CO 0.03 0.00 -2.47 0.52 -1.14 0.00 0.00 176.83 173.76 1j1i n VAL 125 N -2.78 1.52 0.09 2.27 0.31 -0.87 -3.94 118.33 114.94 1j1i n VAL 125 Ca 0.00 -0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 63.84 1j1i n VAL 125 Cb 0.22 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1j1i n VAL 125 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j1i h LEU 126 N -0.65 0.04 -5.09 7.52 4.07 -1.15 -3.38 115.31 116.66 1j1i h LEU 126 Ca -0.65 -0.03 -0.39 0.00 0.08 0.00 0.00 57.88 56.88 1j1i h LEU 126 Cb 1.71 -0.01 -0.40 0.00 1.08 0.00 0.00 40.66 43.03 1j1i h LEU 126 CO -0.30 0.89 -1.16 1.41 -1.08 0.00 0.00 178.44 178.20 1j1i n HIS 127 N -3.54 1.23 0.31 1.13 8.25 0.74 -4.94 115.22 118.40 1j1i n HIS 127 Ca -0.01 -2.95 0.20 0.00 -0.26 0.00 0.00 57.72 54.69 1j1i n HIS 127 Cb 0.82 -0.36 1.02 0.00 1.12 0.00 0.00 29.99 32.59 1j1i n HIS 127 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j1i h SER 128 N 2.97 0.00 0.38 0.41 4.64 -1.66 -2.01 113.55 118.28 1j1i h SER 128 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1j1i h SER 128 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1j1i h SER 128 CO 0.53 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.65 1j1i n GLU 129 N -2.93 0.11 0.02 4.77 0.00 -1.26 -1.27 120.64 120.08 1j1i n GLU 129 Ca -0.02 0.45 0.11 0.00 0.00 0.00 0.00 57.16 57.70 1j1i n GLU 129 Cb 0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 31.44 29.75 1j1i n GLU 129 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1j1i n LEU 130 N -1.97 0.57 -4.58 -1.84 4.77 -0.76 -4.79 117.00 108.41 1j1i n LEU 130 Ca 0.01 -0.09 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1j1i n LEU 130 Cb 0.13 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1j1i n LEU 130 CO 0.13 0.06 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.21 1j1i s VAL 131 N -3.23 3.97 -0.25 4.08 1.01 -0.40 -1.33 120.40 124.25 1j1i s VAL 131 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1j1i s VAL 131 Cb 0.14 -2.68 -0.17 0.00 0.00 0.00 0.00 36.38 33.67 1j1i s VAL 131 CO 0.83 0.56 -0.20 -3.20 0.00 0.00 0.00 175.10 173.09 1j1i n ASN 132 N 2.72 1.99 -3.67 3.32 5.15 -0.27 -4.82 115.26 119.68 1j1i n ASN 132 Ca -0.18 -0.12 -0.13 0.00 -0.60 0.00 0.00 54.58 53.56 1j1i n ASN 132 Cb 0.53 -0.44 -0.06 0.00 -0.53 0.00 0.00 39.78 39.28 1j1i n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j1i s ALA 133 N -2.52 -0.99 -0.02 5.20 0.00 -1.25 -4.24 121.76 117.93 1j1i s ALA 133 Ca -0.34 0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1j1i s ALA 133 Cb 0.09 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1j1i s ALA 133 CO 0.61 -0.46 -0.09 -1.17 0.00 0.00 0.00 175.76 174.65 1j1i s LEU 134 N -2.02 1.79 -0.19 0.00 2.96 -0.52 -0.77 118.68 119.94 1j1i s LEU 134 Ca -0.05 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1j1i s LEU 134 Cb -0.01 -0.54 0.03 0.00 0.50 0.00 0.00 46.19 46.17 1j1i s LEU 134 CO -0.03 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 1j1i s VAL 135 N 0.19 1.87 -0.27 1.68 1.01 0.75 -0.54 120.40 125.09 1j1i s VAL 135 Ca -0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1j1i s VAL 135 Cb -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1j1i s VAL 135 CO 0.00 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.79 1j1i s LEU 136 N 1.33 3.62 -0.28 3.92 1.43 0.55 -1.60 118.68 127.65 1j1i s LEU 136 Ca 0.02 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1j1i s LEU 136 Cb -0.15 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.21 1j1i s LEU 136 CO -0.10 -0.09 -0.07 -0.32 0.23 0.00 0.00 176.35 176.00 1j1i s MET 137 N 1.59 2.11 -1.22 1.70 1.75 -0.50 0.69 119.30 125.41 1j1i s MET 137 Ca 0.05 -1.45 -0.01 0.00 -1.25 0.00 0.00 55.69 53.03 1j1i s MET 137 Cb -0.16 -2.99 0.01 0.00 2.84 0.00 0.00 34.83 34.53 1j1i s MET 137 CO 0.04 -0.65 0.08 0.41 -0.65 0.00 0.00 175.02 174.24 1j1i n GLY 138 N 4.41 -0.50 3.77 2.11 0.00 -0.63 -1.99 105.19 112.36 1j1i n GLY 138 Ca -0.10 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1j1i n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j1i s SER 139 N -2.13 6.48 0.80 1.61 0.15 -1.26 -2.90 113.70 116.45 1j1i s SER 139 Ca 0.05 2.92 -0.12 0.00 0.70 0.00 0.00 55.95 59.51 1j1i s SER 139 Cb -0.03 -2.66 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 1j1i s SER 139 CO 0.07 -0.77 1.13 0.00 1.20 0.00 0.00 173.24 174.87 1j1i s ALA 140 N -0.99 2.49 0.00 5.45 0.00 -0.89 -4.65 121.76 123.16 1j1i s ALA 140 Ca 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1j1i s ALA 140 Cb -0.44 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1j1i s ALA 140 CO 0.58 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1j1i n GLY 141 N -2.81 2.14 3.51 0.00 0.00 -1.19 -3.85 105.19 102.98 1j1i n GLY 141 Ca 0.07 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1j1i n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1i s LEU 142 N 0.00 3.01 0.16 0.99 1.43 -1.26 0.48 118.68 123.48 1j1i s LEU 142 Ca 0.00 -0.13 0.27 0.00 -1.03 0.00 0.00 54.13 53.23 1j1i s LEU 142 Cb 0.00 -1.66 0.91 0.00 0.03 0.00 0.00 46.19 45.47 1j1i s LEU 142 CO 0.00 0.29 1.81 0.52 0.23 0.00 0.00 176.35 179.20 1j1i n VAL 143 N 2.71 0.47 0.00 -1.59 0.31 -1.26 -4.98 118.33 113.99 1j1i n VAL 143 Ca -0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1j1i n VAL 143 Cb 0.53 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1j1i n VAL 143 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1j1i n VAL 144 N -2.08 0.00 0.00 2.52 3.14 -1.26 -5.15 118.33 115.50 1j1i n VAL 144 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1j1i n VAL 144 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1j1i n VAL 144 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j1i n GLU 145 N 0.00 0.00 0.00 1.45 1.02 -1.26 -4.93 120.64 116.92 1j1i n GLU 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1j1i n GLU 145 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1j1i n GLU 145 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1j1i n TYR 156 N 0.00 0.00 -0.09 -0.32 -0.00 -1.26 -5.21 117.16 110.29 1j1i n TYR 156 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 1j1i n TYR 156 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 39.34 39.61 1j1i n TYR 156 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1j1i n ASP 157 N 0.00 3.71 -3.41 2.98 5.68 -1.26 -4.98 116.55 119.26 1j1i n ASP 157 Ca 0.00 -1.99 -0.21 0.00 -0.50 0.00 0.00 54.79 52.09 1j1i n ASP 157 Cb 0.00 -0.38 0.08 0.00 -1.14 0.00 0.00 41.12 39.68 1j1i n ASP 157 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1j1i n PHE 158 N 1.54 -2.58 -4.41 2.11 3.01 -1.26 -5.03 117.46 110.83 1j1i n PHE 158 Ca 0.22 0.95 -0.26 0.00 1.01 0.00 0.00 57.45 59.37 1j1i n PHE 158 Cb 0.61 -4.88 -0.11 0.00 -0.01 0.00 0.00 39.48 35.09 1j1i n PHE 158 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1j1i s THR 159 N -3.31 2.56 0.21 4.37 -4.23 -1.26 -5.02 115.64 108.95 1j1i s THR 159 Ca 0.41 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1j1i s THR 159 Cb -0.18 -2.27 0.15 0.00 1.34 0.00 0.00 72.50 71.54 1j1i s THR 159 CO 0.69 -0.20 1.88 -0.09 -0.54 0.00 0.00 174.62 176.37 1j1i h ARG 160 N 2.88 0.97 -0.33 3.99 2.43 -1.98 -1.58 114.38 120.75 1j1i h ARG 160 Ca -0.45 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 1j1i h ARG 160 Cb 1.22 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1j1i h ARG 160 CO 0.52 0.64 -0.05 0.93 -1.51 0.00 0.00 179.97 180.51 1j1i h GLU 161 N 1.00 0.53 -0.30 0.20 4.39 -1.99 -1.81 114.58 116.60 1j1i h GLU 161 Ca 0.27 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1j1i h GLU 161 Cb -0.11 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1j1i h GLU 161 CO -0.06 0.60 -0.06 0.78 -1.16 0.00 0.00 179.01 179.11 1j1i h GLY 162 N 0.88 0.52 1.40 -3.84 0.00 -1.73 -1.31 103.07 98.99 1j1i h GLY 162 Ca 0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1j1i h GLY 162 CO 0.02 0.30 -0.45 1.98 0.00 0.00 0.00 176.54 178.39 1j1i h MET 163 N 0.46 0.65 -0.28 4.80 1.85 -0.60 -1.59 114.93 120.22 1j1i h MET 163 Ca 0.09 -0.36 -0.03 0.00 -0.61 0.00 0.00 59.70 58.80 1j1i h MET 163 Cb 0.39 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 1j1i h MET 163 CO 0.02 0.97 0.07 0.28 -0.40 0.00 0.00 176.91 177.85 1j1i h VAL 164 N 0.52 1.22 -0.81 -5.77 2.07 -0.78 -1.64 116.25 111.05 1j1i h VAL 164 Ca 0.03 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1j1i h VAL 164 Cb 0.99 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1j1i h VAL 164 CO 0.09 0.23 0.42 0.45 0.02 0.00 0.00 177.57 178.78 1j1i h HIS 165 N 0.29 1.14 -0.08 1.57 3.86 -1.16 -1.78 115.15 118.99 1j1i h HIS 165 Ca 0.09 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1j1i h HIS 165 Cb 0.29 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1j1i h HIS 165 CO 0.01 0.81 0.03 1.25 0.86 0.00 0.00 177.93 180.89 1j1i h LEU 166 N 1.15 0.11 -0.49 2.43 7.12 -1.05 -0.61 115.31 123.97 1j1i h LEU 166 Ca 0.28 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1j1i h LEU 166 Cb 0.07 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 1j1i h LEU 166 CO -0.04 0.25 0.29 0.58 -0.13 0.00 0.00 178.44 179.39 1j1i h VAL 167 N -0.03 1.16 -0.86 1.05 2.07 -1.13 -1.29 116.25 117.21 1j1i h VAL 167 Ca 0.03 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1j1i h VAL 167 Cb 0.18 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1j1i h VAL 167 CO -0.00 0.16 0.44 0.11 0.02 0.00 0.00 177.57 178.30 1j1i h LYS 168 N 0.66 1.22 -0.58 1.57 1.57 -1.26 -2.45 116.57 117.30 1j1i h LYS 168 Ca 0.18 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1j1i h LYS 168 Cb 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1j1i h LYS 168 CO -0.03 0.92 0.10 0.00 -0.57 0.00 0.00 179.45 179.86 1j1i h ALA 169 N 1.24 1.07 -0.01 3.86 0.00 -0.60 -3.07 119.26 121.75 1j1i h ALA 169 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j1i h ALA 169 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j1i h ALA 169 CO -0.04 0.60 -0.11 1.28 0.00 0.00 0.00 179.25 180.98 1j1i n LEU 170 N -4.23 0.95 -4.63 0.00 4.77 -0.53 -4.86 117.00 108.46 1j1i n LEU 170 Ca 0.04 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.53 1j1i n LEU 170 Cb 0.27 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1j1i n LEU 170 CO 0.42 0.17 -0.30 0.42 -1.33 0.00 0.00 177.39 176.76 1j1i s THR 171 N -2.27 2.68 0.65 -5.08 -4.23 -0.94 -0.47 115.64 105.97 1j1i s THR 171 Ca 0.32 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 1j1i s THR 171 Cb 0.20 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1j1i s THR 171 CO 0.43 -0.21 1.15 0.54 -0.54 0.00 0.00 174.62 176.00 1j1i s ASN 172 N -3.72 4.99 0.40 3.99 2.20 -1.26 -4.73 114.94 116.81 1j1i s ASN 172 Ca 0.35 2.18 0.19 0.00 -0.94 0.00 0.00 52.86 54.64 1j1i s ASN 172 Cb -0.01 -2.57 1.05 0.00 -2.00 0.00 0.00 41.25 37.72 1j1i s ASN 172 CO 0.19 -1.72 1.53 0.44 -2.94 0.00 0.00 177.10 174.61 1j1i h ASP 173 N 0.29 0.00 0.02 3.54 3.32 -1.91 -0.31 116.42 121.38 1j1i h ASP 173 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1j1i h ASP 173 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1j1i h ASP 173 CO 0.54 0.00 -0.23 0.61 -1.72 0.00 0.00 179.24 178.43 1j1i n GLY 174 N -1.26 0.20 3.70 2.75 0.00 -1.26 -4.94 105.19 104.37 1j1i n GLY 174 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1j1i n GLY 174 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j1i s PHE 175 N -2.27 2.79 -0.30 1.61 5.36 -0.13 -4.98 117.98 120.06 1j1i s PHE 175 Ca 0.25 0.63 -0.17 0.00 -0.96 0.00 0.00 56.93 56.68 1j1i s PHE 175 Cb 0.19 -3.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.03 1j1i s PHE 175 CO 0.45 -3.11 0.46 0.21 -1.46 0.00 0.00 175.22 171.77 1j1i s LYS 176 N 2.07 3.89 0.36 10.12 2.20 -1.26 -5.00 119.74 132.12 1j1i s LYS 176 Ca 0.69 0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 56.06 1j1i s LYS 176 Cb -0.37 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.14 1j1i s LYS 176 CO 0.30 -0.43 1.36 0.42 -0.36 0.00 0.00 175.35 176.64 1j1i s ILE 177 N 2.25 2.48 -0.31 5.43 -1.09 -1.26 -5.00 121.20 123.69 1j1i s ILE 177 Ca 0.18 0.47 0.04 0.00 -2.23 0.00 0.00 60.65 59.10 1j1i s ILE 177 Cb -0.16 -3.29 0.08 0.00 -1.58 0.00 0.00 42.46 37.51 1j1i s ILE 177 CO 0.11 0.10 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.29 1j1i s ASP 178 N -0.44 4.63 0.28 3.58 2.15 -1.26 -5.01 116.67 120.60 1j1i s ASP 178 Ca 0.52 -1.85 -0.04 0.00 0.43 0.00 0.00 52.55 51.61 1j1i s ASP 178 Cb -0.42 -1.59 0.56 0.00 -0.30 0.00 0.00 42.92 41.17 1j1i s ASP 178 CO 0.55 -0.30 1.48 0.47 -0.17 0.00 0.00 175.17 177.20 1j1i n ASP 179 N 4.33 -0.24 -0.21 -0.34 10.43 -1.26 0.25 116.55 129.51 1j1i n ASP 179 Ca -0.03 1.62 -0.00 0.00 2.57 0.00 0.00 54.79 58.94 1j1i n ASP 179 Cb 0.42 -0.53 0.11 0.00 1.84 0.00 0.00 41.12 42.95 1j1i n ASP 179 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j1i h ALA 180 N 1.89 0.80 -0.54 2.24 0.00 -1.99 0.35 119.26 122.01 1j1i h ALA 180 Ca 0.50 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.39 1j1i h ALA 180 Cb 0.90 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1j1i h ALA 180 CO -0.94 -0.15 -0.04 1.98 0.00 0.00 0.00 179.25 180.10 1j1i h MET 181 N 0.45 0.95 -0.19 0.00 1.85 -0.63 -1.46 114.93 115.90 1j1i h MET 181 Ca 0.30 -0.31 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1j1i h MET 181 Cb 0.34 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1j1i h MET 181 CO -0.28 0.97 0.02 0.82 -0.40 0.00 0.00 176.91 178.04 1j1i h ILE 182 N 0.87 1.23 -0.66 1.77 1.08 -0.02 -2.17 117.51 119.62 1j1i h ILE 182 Ca 0.15 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1j1i h ILE 182 Cb 0.57 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1j1i h ILE 182 CO 0.03 0.24 0.38 0.78 -0.69 0.00 0.00 178.15 178.89 1j1i h ASN 183 N 0.11 0.80 -0.08 1.72 2.35 -0.23 0.53 115.58 120.77 1j1i h ASN 183 Ca 0.06 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1j1i h ASN 183 Cb 0.34 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1j1i h ASN 183 CO 0.01 0.64 0.05 -1.28 -1.65 0.00 0.00 177.43 175.20 1j1i h SER 184 N 0.89 0.10 -0.68 5.81 0.87 -1.21 0.54 113.55 119.87 1j1i h SER 184 Ca 0.23 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1j1i h SER 184 Cb 0.00 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1j1i h SER 184 CO -0.04 0.10 0.14 -0.09 -0.53 0.00 0.00 176.83 176.40 1j1i h ARG 185 N 0.09 1.11 -0.68 2.24 2.43 -1.18 -2.43 114.38 115.97 1j1i h ARG 185 Ca 0.03 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 1j1i h ARG 185 Cb 0.01 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1j1i h ARG 185 CO -0.01 1.00 0.19 -0.92 -1.51 0.00 0.00 179.97 178.73 1j1i h TYR 186 N 1.04 1.09 -0.58 2.20 3.20 -0.66 -0.99 116.97 122.27 1j1i h TYR 186 Ca 0.21 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1j1i h TYR 186 Cb 0.41 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1j1i h TYR 186 CO 0.03 0.88 0.34 1.15 -1.64 0.00 0.00 178.16 178.92 1j1i h THR 187 N 1.01 1.18 -0.47 1.81 2.02 -0.59 -0.86 112.91 117.01 1j1i h THR 187 Ca 0.22 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1j1i h THR 187 Cb 0.31 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1j1i h THR 187 CO -0.00 0.19 -0.15 1.88 0.37 0.00 0.00 175.52 177.80 1j1i h TYR 188 N 0.79 1.02 0.00 3.16 -1.99 -1.13 -2.82 116.97 115.99 1j1i h TYR 188 Ca 0.21 -0.21 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1j1i h TYR 188 Cb 0.00 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1j1i h TYR 188 CO -0.02 0.98 -0.23 0.00 -0.00 0.00 0.00 178.16 178.90 1j1i h ALA 189 N 1.02 1.05 0.04 3.88 0.00 -0.81 -3.18 119.26 121.27 1j1i h ALA 189 Ca 0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1j1i h ALA 189 Cb 0.69 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1j1i h ALA 189 CO 0.05 0.29 -1.43 1.15 0.00 0.00 0.00 179.25 179.31 1j1i h THR 190 N 0.00 1.22 -0.84 0.00 2.02 -1.05 -3.38 112.91 110.88 1j1i h THR 190 Ca -0.00 -2.96 -0.75 0.00 0.77 0.00 0.00 66.41 63.47 1j1i h THR 190 Cb 0.71 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1j1i h THR 190 CO 0.03 0.76 1.15 -0.67 0.37 0.00 0.00 175.52 177.16 1j1i n ASP 191 N -3.29 1.62 -0.32 4.18 2.03 -1.07 -4.73 116.55 114.97 1j1i n ASP 191 Ca -0.12 0.78 0.17 0.00 0.52 0.00 0.00 54.79 56.14 1j1i n ASP 191 Cb 1.01 -1.06 0.42 0.00 -0.72 0.00 0.00 41.12 40.77 1j1i n ASP 191 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1j1i h GLU 192 N 8.91 0.56 -0.42 -0.67 4.11 -1.90 0.21 114.58 125.38 1j1i h GLU 192 Ca -0.29 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.03 1j1i h GLU 192 Cb 1.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1j1i h GLU 192 CO 1.02 0.37 -0.02 0.00 0.07 0.00 0.00 179.01 180.45 1j1i h ALA 193 N 1.64 0.57 -0.66 1.06 0.00 -1.96 -0.23 119.26 119.68 1j1i h ALA 193 Ca 0.57 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1j1i h ALA 193 Cb 1.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1j1i h ALA 193 CO -0.32 0.38 0.10 1.15 0.00 0.00 0.00 179.25 180.56 1j1i h THR 194 N 0.59 1.26 -0.57 0.00 2.02 -1.42 -2.25 112.91 112.55 1j1i h THR 194 Ca 0.12 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.15 1j1i h THR 194 Cb 0.52 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1j1i h THR 194 CO 0.03 0.39 -0.03 -0.09 0.37 0.00 0.00 175.52 176.18 1j1i h ARG 195 N 1.01 1.02 -0.48 6.66 2.43 -0.47 -1.01 114.38 123.55 1j1i h ARG 195 Ca 0.20 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1j1i h ARG 195 Cb 0.45 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1j1i h ARG 195 CO 0.01 1.02 0.19 -0.22 -1.51 0.00 0.00 179.97 179.47 1j1i h LYS 196 N 0.93 0.71 -0.37 0.20 3.64 -0.83 -0.52 116.57 120.34 1j1i h LYS 196 Ca 0.16 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1j1i h LYS 196 Cb 0.58 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1j1i h LYS 196 CO 0.03 0.64 -0.17 0.00 -2.27 0.00 0.00 179.45 177.68 1j1i h ALA 197 N 1.04 1.00 -0.52 5.00 0.00 -1.29 -2.19 119.26 122.30 1j1i h ALA 197 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1j1i h ALA 197 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1j1i h ALA 197 CO -0.01 0.59 0.17 -0.92 0.00 0.00 0.00 179.25 179.08 1j1i h TYR 198 N 0.62 0.83 -0.57 0.00 3.20 -0.80 0.11 116.97 120.37 1j1i h TYR 198 Ca 0.10 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1j1i h TYR 198 Cb 0.64 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1j1i h TYR 198 CO 0.03 0.71 0.33 0.28 -1.64 0.00 0.00 178.16 177.87 1j1i h VAL 199 N 0.71 1.18 -0.65 1.81 2.07 -0.91 -0.59 116.25 119.87 1j1i h VAL 199 Ca 0.17 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1j1i h VAL 199 Cb 0.27 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1j1i h VAL 199 CO -0.01 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.83 1j1i h ALA 200 N 1.16 0.87 -0.14 1.67 0.00 -1.10 -0.97 119.26 120.75 1j1i h ALA 200 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j1i h ALA 200 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j1i h ALA 200 CO -0.04 0.67 0.09 1.15 0.00 0.00 0.00 179.25 181.12 1j1i h THR 201 N 1.02 1.06 -0.04 0.00 2.02 -0.37 -2.65 112.91 113.95 1j1i h THR 201 Ca 0.19 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1j1i h THR 201 Cb 0.50 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1j1i h THR 201 CO 0.02 0.05 -0.37 0.24 0.37 0.00 0.00 175.52 175.84 1j1i h MET 202 N 0.16 0.09 -0.13 6.66 2.86 -0.99 -2.93 114.93 120.66 1j1i h MET 202 Ca 0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1j1i h MET 202 Cb 0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1j1i h MET 202 CO -0.01 0.45 0.06 0.37 1.06 0.00 0.00 176.91 178.84 1j1i h GLN 203 N 0.08 0.18 -0.38 1.72 4.15 -0.92 0.78 115.11 120.72 1j1i h GLN 203 Ca 0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1j1i h GLN 203 Cb 0.69 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1j1i h GLN 203 CO 0.05 0.24 0.23 2.35 -1.93 0.00 0.00 178.83 179.77 1j1i h TRP 204 N 0.08 0.50 -0.40 3.99 7.01 -1.41 -0.29 115.95 125.42 1j1i h TRP 204 Ca 0.04 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.06 1j1i h TRP 204 Cb 0.12 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 1j1i h TRP 204 CO -0.03 0.35 0.24 0.82 -2.79 0.00 0.00 178.44 177.03 1j1i h ILE 205 N 0.50 1.05 -0.77 2.65 2.04 -1.36 -2.35 117.51 119.27 1j1i h ILE 205 Ca 0.14 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1j1i h ILE 205 Cb -0.00 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1j1i h ILE 205 CO -0.03 0.09 0.46 -0.09 0.00 0.00 0.00 178.15 178.59 1j1i h ARG 206 N 0.48 0.83 0.00 2.37 1.12 -0.44 -0.37 114.38 118.37 1j1i h ARG 206 Ca 0.16 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1j1i h ARG 206 Cb 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.77 1j1i h ARG 206 CO -0.07 0.55 0.00 0.39 -3.11 0.00 0.00 179.97 177.73 1j1i n GLU 207 N -4.69 0.08 -0.00 0.20 1.02 -0.15 -2.27 120.64 114.82 1j1i n GLU 207 Ca 0.10 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.61 1j1i n GLU 207 Cb 0.17 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 1j1i n GLU 207 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1j1i n GLN 208 N -1.77 0.46 -0.44 3.49 1.13 -0.52 -4.96 117.38 114.77 1j1i n GLN 208 Ca 0.04 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1j1i n GLN 208 Cb 0.22 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1j1i n GLN 208 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j1i n GLY 209 N 1.43 0.74 0.00 1.08 0.00 -0.83 -4.96 105.19 102.65 1j1i n GLY 209 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1j1i n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1i n GLY 210 N -2.44 2.34 3.36 -0.02 0.00 -0.26 -4.99 105.19 103.17 1j1i n GLY 210 Ca 0.00 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 1j1i n GLY 210 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j1i s LEU 211 N 0.00 5.65 0.25 0.99 0.20 -1.26 -4.84 118.68 119.67 1j1i s LEU 211 Ca 0.00 -1.44 -0.14 0.00 0.69 0.00 0.00 54.13 53.24 1j1i s LEU 211 Cb 0.00 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1j1i s LEU 211 CO 0.00 -0.67 0.52 0.72 -0.29 0.00 0.00 176.35 176.63 1j1i s PHE 212 N 1.60 0.26 0.14 5.38 -0.12 -1.26 -3.18 117.98 120.80 1j1i s PHE 212 Ca 0.04 -0.64 0.06 0.00 -0.05 0.00 0.00 56.93 56.33 1j1i s PHE 212 Cb -0.25 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1j1i s PHE 212 CO 0.05 -1.03 -0.13 0.71 -0.05 0.00 0.00 175.22 174.77 1j1i s TYR 213 N -4.00 1.41 0.48 3.49 4.12 0.18 -4.95 117.35 118.08 1j1i s TYR 213 Ca 0.20 -0.60 -0.21 0.00 0.02 0.00 0.00 57.07 56.48 1j1i s TYR 213 Cb -0.01 -0.72 -0.08 0.00 -1.52 0.00 0.00 41.96 39.63 1j1i s TYR 213 CO 0.08 0.16 1.09 0.34 0.02 0.00 0.00 175.55 177.24 1j1i s ASP 214 N -2.72 6.21 0.55 2.29 2.15 -1.26 -4.68 116.67 119.21 1j1i s ASP 214 Ca 0.12 2.09 0.26 0.00 0.43 0.00 0.00 52.55 55.46 1j1i s ASP 214 Cb -0.03 -2.58 1.46 0.00 -0.30 0.00 0.00 42.92 41.47 1j1i s ASP 214 CO 0.03 -0.88 2.01 -0.65 -0.17 0.00 0.00 175.17 175.51 1j1i h PRO 215 N 1.72 0.00 -0.32 4.34 0.11 -2.00 0.16 132.00 136.01 1j1i h PRO 215 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1j1i h PRO 215 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1j1i h PRO 215 CO 0.59 0.00 0.05 0.93 -0.21 0.00 0.00 178.00 179.36 1j1i h GLU 216 N 0.00 0.48 -0.21 1.05 4.39 -1.99 -1.29 114.58 117.01 1j1i h GLU 216 Ca 0.20 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1j1i h GLU 216 Cb 0.89 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1j1i h GLU 216 CO -0.00 0.47 -0.22 0.35 -1.16 0.00 0.00 179.01 178.45 1j1i h PHE 217 N 0.47 0.62 -0.27 4.33 3.57 -1.32 -3.10 116.94 121.23 1j1i h PHE 217 Ca 0.11 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1j1i h PHE 217 Cb 0.23 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1j1i h PHE 217 CO 0.01 0.87 0.11 0.82 -2.23 0.00 0.00 178.31 177.88 1j1i h ILE 218 N 0.19 1.11 0.00 1.41 2.04 -1.23 -1.06 117.51 119.98 1j1i h ILE 218 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1j1i h ILE 218 Cb 0.77 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1j1i h ILE 218 CO 0.05 0.13 0.00 -1.14 0.00 0.00 0.00 178.15 177.19 1j1i n ARG 219 N -4.43 0.08 0.00 2.37 0.63 -0.53 -1.96 116.66 112.83 1j1i n ARG 219 Ca 0.01 0.39 0.14 0.00 -0.92 0.00 0.00 57.85 57.47 1j1i n ARG 219 Cb 0.13 -1.68 0.58 0.00 0.45 0.00 0.00 32.46 31.93 1j1i n ARG 219 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1j1i n LYS 220 N -1.84 0.35 -2.20 -0.14 4.01 -0.40 -4.77 118.16 113.16 1j1i n LYS 220 Ca 0.02 -0.10 -0.43 0.00 -0.51 0.00 0.00 58.31 57.30 1j1i n LYS 220 Cb 0.15 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.15 1j1i n LYS 220 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1j1i s VAL 221 N -2.72 3.82 -0.32 -0.18 1.01 -0.83 -4.82 120.40 116.36 1j1i s VAL 221 Ca 0.22 0.92 0.12 0.00 0.00 0.00 0.00 61.98 63.23 1j1i s VAL 221 Cb 0.19 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 1j1i s VAL 221 CO 0.52 -0.37 0.39 0.00 0.00 0.00 0.00 175.10 175.65 1j1i n GLN 222 N 7.61 2.03 -2.02 2.72 6.02 -1.26 -4.32 117.38 128.15 1j1i n GLN 222 Ca 0.18 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1j1i n GLN 222 Cb 0.46 -1.14 0.01 0.00 1.02 0.00 0.00 30.24 30.59 1j1i n GLN 222 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1j1i s VAL 223 N -2.39 3.95 0.28 5.09 1.01 -1.26 -4.75 120.40 122.34 1j1i s VAL 223 Ca 0.01 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1j1i s VAL 223 Cb 0.08 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 1j1i s VAL 223 CO 0.48 -0.59 1.62 -2.16 0.00 0.00 0.00 175.10 174.45 1j1i s PRO 224 N -4.23 4.12 0.04 2.72 0.04 -1.26 -4.68 135.00 131.75 1j1i s PRO 224 Ca 0.62 2.59 0.05 0.00 0.04 0.00 0.00 61.00 64.30 1j1i s PRO 224 Cb -0.15 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1j1i s PRO 224 CO 0.39 -0.66 -0.14 0.99 0.04 0.00 0.00 177.00 177.62 1j1i s THR 225 N 0.22 1.10 -0.21 1.26 2.01 -0.13 -1.44 115.64 118.45 1j1i s THR 225 Ca 0.66 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1j1i s THR 225 Cb -0.48 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1j1i s THR 225 CO 0.45 0.00 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.01 1j1i s LEU 226 N -1.13 2.69 -0.43 4.42 0.20 0.30 0.20 118.68 124.92 1j1i s LEU 226 Ca 0.01 -0.92 -0.17 0.00 0.69 0.00 0.00 54.13 53.74 1j1i s LEU 226 Cb -0.08 -1.53 0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1j1i s LEU 226 CO 0.01 -0.08 0.44 -0.69 -0.29 0.00 0.00 176.35 175.75 1j1i s VAL 227 N 1.23 5.09 -0.16 1.68 1.01 -0.03 -0.33 120.40 128.88 1j1i s VAL 227 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1j1i s VAL 227 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1j1i s VAL 227 CO -0.09 -0.45 0.13 -0.69 0.00 0.00 0.00 175.10 173.99 1j1i s VAL 228 N 2.13 5.39 -0.13 2.92 1.01 0.22 -0.87 120.40 131.07 1j1i s VAL 228 Ca 0.12 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 1j1i s VAL 228 Cb -0.18 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1j1i s VAL 228 CO 0.13 0.52 0.32 -1.58 0.00 0.00 0.00 175.10 174.49 1j1i s GLN 229 N -0.24 0.33 0.03 2.72 2.00 -0.50 -1.61 119.66 122.39 1j1i s GLN 229 Ca 0.11 0.58 -0.26 0.00 -2.00 0.00 0.00 55.36 53.78 1j1i s GLN 229 Cb -0.11 0.02 -0.05 0.00 0.80 0.00 0.00 33.01 33.67 1j1i s GLN 229 CO 0.01 -0.12 0.83 0.20 -0.50 0.00 0.00 175.29 175.71 1j1i s GLY 230 N 0.89 2.82 0.44 2.59 0.00 -1.26 -0.87 107.32 111.95 1j1i s GLY 230 Ca -0.06 0.36 0.16 0.00 0.00 0.00 0.00 44.72 45.18 1j1i s GLY 230 CO -0.06 1.27 1.96 1.70 0.00 0.00 0.00 173.10 177.96 1j1i h LYS 231 N 5.99 0.00 -0.52 2.90 3.64 -0.70 -2.85 116.57 125.02 1j1i h LYS 231 Ca -0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1j1i h LYS 231 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1j1i h LYS 231 CO 0.72 0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 177.88 1j1i n ASP 232 N -4.14 5.42 -4.66 4.20 8.00 -0.33 -4.61 116.55 120.43 1j1i n ASP 232 Ca -0.02 -2.96 -0.42 0.00 0.71 0.00 0.00 54.79 52.10 1j1i n ASP 232 Cb 0.29 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1j1i n ASP 232 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j1i s ASP 233 N -1.00 6.63 0.20 -2.24 -1.08 -1.08 -4.60 116.67 113.50 1j1i s ASP 233 Ca 0.53 2.34 0.21 0.00 -0.52 0.00 0.00 52.55 55.11 1j1i s ASP 233 Cb 0.41 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1j1i s ASP 233 CO 0.15 -0.94 1.06 0.11 0.52 0.00 0.00 175.17 176.06 1j1i h LYS 234 N 9.53 0.00 0.00 4.34 1.57 -1.89 -3.35 116.57 126.78 1j1i h LYS 234 Ca -0.41 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1j1i h LYS 234 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1j1i h LYS 234 CO 0.95 0.07 -0.26 0.28 -0.57 0.00 0.00 179.45 179.92 1j1i h VAL 235 N 0.00 1.14 -3.63 0.50 2.07 -1.94 -3.43 116.25 110.96 1j1i h VAL 235 Ca -0.03 -1.94 -0.68 0.00 0.82 0.00 0.00 66.70 64.86 1j1i h VAL 235 Cb 1.13 2.24 -0.35 0.00 -1.52 0.00 0.00 31.29 32.79 1j1i h VAL 235 CO 0.01 0.39 -0.64 -0.69 0.02 0.00 0.00 177.57 176.66 1j1i s VAL 236 N -2.11 2.96 0.67 2.57 1.01 -1.26 -5.10 120.40 119.14 1j1i s VAL 236 Ca -0.16 -1.90 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 1j1i s VAL 236 Cb -0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1j1i s VAL 236 CO 0.49 -0.47 0.91 -2.65 0.00 0.00 0.00 175.10 173.38 1j1i n PRO 237 N 4.53 0.65 0.21 2.72 -0.02 -1.25 -4.57 135.00 137.27 1j1i n PRO 237 Ca -0.05 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.77 1j1i n PRO 237 Cb 0.42 -2.15 0.57 0.00 -0.02 0.00 0.00 33.50 32.32 1j1i n PRO 237 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1j1i h VAL 238 N 0.06 1.05 -0.19 -1.45 3.04 -1.80 -1.07 116.25 115.90 1j1i h VAL 238 Ca -0.48 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.05 1j1i h VAL 238 Cb 1.35 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1j1i h VAL 238 CO 0.48 0.07 0.16 -0.33 -1.01 0.00 0.00 177.57 176.94 1j1i h GLU 239 N 0.08 0.00 -0.84 4.17 3.07 -1.96 -0.94 114.58 118.16 1j1i h GLU 239 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1j1i h GLU 239 Cb 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 1j1i h GLU 239 CO 0.00 0.00 0.54 1.15 -1.40 0.00 0.00 179.01 179.31 1j1i h THR 240 N 0.00 1.22 -0.53 1.13 2.02 -1.53 -1.51 112.91 113.72 1j1i h THR 240 Ca 0.09 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1j1i h THR 240 Cb 0.40 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1j1i h THR 240 CO -0.00 0.22 0.17 0.00 0.37 0.00 0.00 175.52 176.28 1j1i h ALA 241 N 1.45 0.69 -0.53 6.16 0.00 -1.30 -0.67 119.26 125.07 1j1i h ALA 241 Ca 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j1i h ALA 241 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1j1i h ALA 241 CO -0.06 0.34 0.28 1.88 0.00 0.00 0.00 179.25 181.68 1j1i h TYR 242 N 0.72 0.70 -0.27 0.00 0.99 -1.31 0.81 116.97 118.61 1j1i h TYR 242 Ca 0.17 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.72 1j1i h TYR 242 Cb 0.26 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 37.76 1j1i h TYR 242 CO 0.01 0.50 -0.52 -0.22 -0.00 0.00 0.00 178.16 177.93 1j1i h LYS 243 N 0.73 0.83 -0.84 4.88 3.64 -0.80 -2.23 116.57 122.78 1j1i h LYS 243 Ca 0.19 -0.53 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1j1i h LYS 243 Cb 0.03 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1j1i h LYS 243 CO -0.03 1.16 0.55 0.74 -2.27 0.00 0.00 179.45 179.60 1j1i h PHE 244 N 0.60 1.07 -0.01 1.91 0.05 -0.33 -0.96 116.94 119.28 1j1i h PHE 244 Ca 0.01 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 1j1i h PHE 244 Cb 1.13 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 38.71 1j1i h PHE 244 CO 0.08 0.68 -0.18 -0.07 -0.18 0.00 0.00 178.31 178.64 1j1i h LEU 245 N 1.14 0.02 0.04 1.54 3.38 -0.72 0.46 115.31 121.17 1j1i h LEU 245 Ca 0.31 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 1j1i h LEU 245 Cb -0.11 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.65 1j1i h LEU 245 CO -0.06 0.20 -1.17 -0.78 0.09 0.00 0.00 178.44 176.71 1j1i h ASP 246 N 0.02 0.72 0.15 -0.43 3.58 -0.73 -3.37 116.42 116.36 1j1i h ASP 246 Ca 0.00 -0.66 -0.26 0.00 0.42 0.00 0.00 57.03 56.53 1j1i h ASP 246 Cb 0.33 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.18 1j1i h ASP 246 CO 0.02 1.47 -1.13 -0.07 -2.88 0.00 0.00 179.24 176.66 1j1i h LEU 247 N 0.23 0.73 -8.66 2.28 3.38 -0.78 -3.43 115.31 109.06 1j1i h LEU 247 Ca -0.15 -0.88 -0.63 0.00 0.09 0.00 0.00 57.88 56.31 1j1i h LEU 247 Cb 1.84 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.23 1j1i h LEU 247 CO 0.21 1.54 0.34 -0.63 0.09 0.00 0.00 178.44 180.00 1j1i s ILE 248 N -2.74 4.68 0.26 1.22 1.01 0.11 -4.31 121.20 121.43 1j1i s ILE 248 Ca -0.11 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 1j1i s ILE 248 Cb 0.04 -4.29 0.27 0.00 0.01 0.00 0.00 42.46 38.48 1j1i s ILE 248 CO 0.90 -0.65 1.89 -0.78 0.00 0.00 0.00 174.94 176.30 1j1i h ASP 249 N 8.87 1.06 -1.46 3.58 3.58 -1.85 -2.87 116.42 127.33 1j1i h ASP 249 Ca -0.25 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.51 1j1i h ASP 249 Cb 1.09 -0.23 -0.31 0.00 1.72 0.00 0.00 39.33 41.60 1j1i h ASP 249 CO 0.94 0.69 0.60 -0.67 -2.88 0.00 0.00 179.24 177.93 1j1i n ASP 250 N -4.48 7.00 -4.65 2.28 2.03 -1.26 -4.99 116.55 112.49 1j1i n ASP 250 Ca 0.15 -3.80 -0.35 0.00 0.52 0.00 0.00 54.79 51.31 1j1i n ASP 250 Cb 0.15 -0.89 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 1j1i n ASP 250 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1j1i s SER 251 N -1.89 5.15 0.21 1.67 1.04 -1.09 -0.95 113.70 117.83 1j1i s SER 251 Ca 0.56 0.09 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1j1i s SER 251 Cb 0.46 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 1j1i s SER 251 CO -0.20 0.34 0.21 0.26 0.98 0.00 0.00 173.24 174.82 1j1i s TRP 252 N -0.66 3.21 0.00 5.02 0.51 0.13 -4.96 118.94 122.20 1j1i s TRP 252 Ca 0.10 -0.04 0.06 0.00 -2.12 0.00 0.00 56.10 54.11 1j1i s TRP 252 Cb -0.12 -1.50 -0.02 0.00 -0.81 0.00 0.00 33.47 31.03 1j1i s TRP 252 CO 0.02 0.51 -0.19 0.20 -0.51 0.00 0.00 176.95 176.98 1j1i s GLY 253 N -3.51 0.96 -0.23 0.98 0.00 -1.26 -0.85 107.32 103.40 1j1i s GLY 253 Ca 0.32 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 1j1i s GLY 253 CO 0.25 -0.76 0.06 -0.47 0.00 0.00 0.00 173.10 172.19 1j1i s TYR 254 N -0.55 1.11 -0.21 1.90 5.04 -0.04 -4.93 117.35 119.67 1j1i s TYR 254 Ca 0.07 -1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 53.54 1j1i s TYR 254 Cb -0.08 -1.18 -0.04 0.00 0.35 0.00 0.00 41.96 41.01 1j1i s TYR 254 CO 0.00 -0.70 0.10 0.42 -1.34 0.00 0.00 175.55 174.02 1j1i s ILE 255 N 1.83 4.96 -0.15 3.14 -1.09 -1.26 -1.41 121.20 127.22 1j1i s ILE 255 Ca 0.03 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1j1i s ILE 255 Cb -0.17 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1j1i s ILE 255 CO -0.16 0.42 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.23 1j1i s ILE 256 N 0.67 3.20 0.59 2.92 1.01 -0.05 -4.98 121.20 124.57 1j1i s ILE 256 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1j1i s ILE 256 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1j1i s ILE 256 CO 0.01 0.50 0.99 -2.16 0.00 0.00 0.00 174.94 174.29 1j1i s PRO 257 N 0.56 3.62 -1.40 2.79 0.04 -1.26 -0.45 135.00 138.90 1j1i s PRO 257 Ca -0.07 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 1j1i s PRO 257 Cb -0.15 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1j1i s PRO 257 CO 0.03 -0.49 0.51 0.72 0.04 0.00 0.00 177.00 177.81 1j1i n HIS 258 N -2.59 -1.73 -3.78 0.56 8.25 -1.26 -4.85 115.22 109.82 1j1i n HIS 258 Ca 0.05 0.77 -0.13 0.00 -0.26 0.00 0.00 57.72 58.15 1j1i n HIS 258 Cb 0.54 -3.87 -0.14 0.00 1.12 0.00 0.00 29.99 27.64 1j1i n HIS 258 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j1i n GLY 260 N 3.82 1.42 0.07 0.00 0.00 -1.26 -1.19 105.19 108.05 1j1i n GLY 260 Ca -0.22 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.47 1j1i n GLY 260 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j1i n HIS 261 N 0.00 0.64 -3.37 1.61 -0.00 0.38 -3.98 115.22 110.50 1j1i n HIS 261 Ca 0.00 0.19 -0.27 0.00 0.46 0.00 0.00 57.72 58.10 1j1i n HIS 261 Cb 0.00 -0.78 -0.08 0.00 -0.12 0.00 0.00 29.99 29.02 1j1i n HIS 261 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1j1i n TRP 262 N -2.04 3.53 -0.30 1.57 8.01 -1.26 -4.73 117.44 122.23 1j1i n TRP 262 Ca 0.06 -4.12 0.08 0.00 -1.31 0.00 0.00 57.50 52.21 1j1i n TRP 262 Cb 0.41 -0.54 0.24 0.00 -2.01 0.00 0.00 31.31 29.40 1j1i n TRP 262 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1j1i h ALA 263 N 4.05 1.29 0.00 6.99 0.00 -1.95 0.58 119.26 130.23 1j1i h ALA 263 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1j1i h ALA 263 Cb 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j1i h ALA 263 CO 0.82 -0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 1j1i h MET 264 N 0.59 0.00 0.03 0.00 -0.00 -1.91 -0.16 114.93 113.48 1j1i h MET 264 Ca 0.48 0.00 -0.38 0.00 -0.00 0.00 0.00 59.70 59.79 1j1i h MET 264 Cb 0.71 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.26 1j1i h MET 264 CO -0.39 0.05 -2.24 -0.89 -0.00 0.00 0.00 176.91 173.44 1j1i n ILE 265 N -3.43 1.58 0.03 -0.10 5.41 -0.31 -3.58 119.36 118.97 1j1i n ILE 265 Ca -0.02 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.16 1j1i n ILE 265 Cb 0.18 -1.66 0.11 0.00 -0.71 0.00 0.00 39.64 37.56 1j1i n ILE 265 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1j1i h GLU 266 N -0.28 0.44 -1.74 0.38 5.08 -0.86 -3.37 114.58 114.23 1j1i h GLU 266 Ca -0.54 -0.26 -0.52 0.00 -1.00 0.00 0.00 59.36 57.04 1j1i h GLU 266 Cb 1.82 0.02 -0.36 0.00 0.50 0.00 0.00 28.75 30.73 1j1i h GLU 266 CO -0.12 0.84 -1.03 0.72 -1.00 0.00 0.00 179.01 178.42 1j1i n HIS 267 N -3.97 -0.75 -0.15 4.33 8.25 -0.08 -5.02 115.22 117.84 1j1i n HIS 267 Ca -0.02 -3.33 -0.03 0.00 -0.26 0.00 0.00 57.72 54.08 1j1i n HIS 267 Cb 0.57 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.63 1j1i n HIS 267 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j1i h PRO 268 N 4.00 0.25 -0.49 -0.41 0.13 -1.67 -0.68 132.00 133.13 1j1i h PRO 268 Ca 0.04 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1j1i h PRO 268 Cb 0.90 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1j1i h PRO 268 CO 0.44 0.16 0.26 0.93 -0.23 0.00 0.00 178.00 179.57 1j1i h GLU 269 N 0.26 0.69 0.17 0.86 4.39 -1.89 1.00 114.58 120.06 1j1i h GLU 269 Ca 0.23 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1j1i h GLU 269 Cb 0.28 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1j1i h GLU 269 CO -0.28 0.56 -0.08 0.22 -1.16 0.00 0.00 179.01 178.27 1j1i h ASP 270 N 0.65 -0.19 -0.33 1.42 -0.00 -1.88 -1.52 116.42 114.57 1j1i h ASP 270 Ca 0.17 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1j1i h ASP 270 Cb 0.07 0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 1j1i h ASP 270 CO -0.03 -0.08 0.20 0.15 -0.00 0.00 0.00 179.24 179.48 1j1i h PHE 271 N -0.30 0.44 -0.69 0.28 3.57 -0.96 -1.77 116.94 117.51 1j1i h PHE 271 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1j1i h PHE 271 Cb 0.23 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1j1i h PHE 271 CO -0.05 0.32 0.44 0.00 -2.23 0.00 0.00 178.31 176.80 1j1i h ALA 272 N 1.08 0.87 -0.51 2.41 0.00 -0.75 -1.16 119.26 121.20 1j1i h ALA 272 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1j1i h ALA 272 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1j1i h ALA 272 CO -0.02 0.31 -0.13 -0.91 0.00 0.00 0.00 179.25 178.50 1j1i h ASN 273 N 0.93 0.99 -0.49 0.00 4.21 -1.16 0.23 115.58 120.30 1j1i h ASN 273 Ca 0.25 -0.36 -0.05 0.00 1.21 0.00 0.00 56.30 57.35 1j1i h ASN 273 Cb -0.08 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 36.82 1j1i h ASN 273 CO -0.05 1.12 0.14 0.00 -1.29 0.00 0.00 177.43 177.35 1j1i h ALA 274 N 0.90 1.23 -0.25 -0.83 0.00 -1.07 -0.60 119.26 118.63 1j1i h ALA 274 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1j1i h ALA 274 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j1i h ALA 274 CO 0.05 0.54 -0.35 1.15 0.00 0.00 0.00 179.25 180.64 1j1i h THR 275 N 0.80 1.31 -0.50 0.00 2.02 -0.95 -1.77 112.91 113.82 1j1i h THR 275 Ca 0.18 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1j1i h THR 275 Cb 0.28 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1j1i h THR 275 CO -0.00 0.49 0.32 -0.07 0.37 0.00 0.00 175.52 176.63 1j1i h LEU 276 N 0.40 0.58 -0.32 2.58 3.38 -0.61 -0.33 115.31 121.00 1j1i h LEU 276 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j1i h LEU 276 Cb 0.94 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1j1i h LEU 276 CO 0.08 0.44 0.21 -1.28 0.09 0.00 0.00 178.44 177.98 1j1i h SER 277 N 0.67 0.37 -0.02 -0.43 0.87 -1.08 -0.42 113.55 113.51 1j1i h SER 277 Ca 0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1j1i h SER 277 Cb -0.05 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1j1i h SER 277 CO -0.04 0.27 0.01 0.15 -0.53 0.00 0.00 176.83 176.70 1j1i h PHE 278 N 0.42 0.03 0.00 2.24 3.57 -0.98 -2.80 116.94 119.43 1j1i h PHE 278 Ca 0.12 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1j1i h PHE 278 Cb -0.04 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1j1i h PHE 278 CO -0.05 0.04 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.79 1j1i h LEU 279 N 0.01 0.00 -1.36 0.59 3.38 -0.88 -2.72 115.31 114.34 1j1i h LEU 279 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1j1i h LEU 279 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1j1i h LEU 279 CO -0.00 0.20 -0.27 0.77 0.09 0.00 0.00 178.44 179.22 1j1i h SER 280 N 0.00 0.07 0.30 -0.43 4.64 -0.80 -2.67 113.55 114.66 1j1i h SER 280 Ca -0.00 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 1j1i h SER 280 Cb 0.37 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1j1i h SER 280 CO 0.03 0.35 -1.18 -0.07 -0.87 0.00 0.00 176.83 175.08 1j1i h LEU 281 N 0.06 0.69 -0.61 5.97 3.38 -1.43 -3.51 115.31 119.86 1j1i h LEU 281 Ca 0.01 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1j1i h LEU 281 Cb 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1j1i h LEU 281 CO 0.04 1.46 0.00 0.54 0.09 0.00 0.00 178.44 180.57