#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lfq h GLU 2 N 0.00 0.15 -0.00 2.12 3.07 -2.05 -3.22 114.58 114.64 3lfq h GLU 2 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3lfq h GLU 2 Cb 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3lfq h GLU 2 CO 0.00 0.83 -0.00 0.09 -1.40 0.00 0.00 179.01 178.53 3lfq n ASN 3 N -3.73 0.01 -4.16 1.42 3.02 -1.26 -4.82 115.26 105.74 3lfq n ASN 3 Ca -0.02 -0.78 -0.30 0.00 -0.03 0.00 0.00 54.58 53.45 3lfq n ASN 3 Cb 0.72 -0.07 -0.17 0.00 -0.61 0.00 0.00 39.78 39.65 3lfq n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3lfq s PHE 4 N -2.15 2.28 -0.32 3.10 0.40 -1.22 -0.04 117.98 120.03 3lfq s PHE 4 Ca 0.43 -0.93 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 3lfq s PHE 4 Cb 0.22 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 3lfq s PHE 4 CO 0.39 -0.39 0.26 1.14 0.70 0.00 0.00 175.22 177.32 3lfq s GLN 5 N 0.46 3.65 0.04 0.44 -2.07 0.35 -4.77 119.66 117.75 3lfq s GLN 5 Ca -0.17 -0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 52.58 3lfq s GLN 5 Cb -0.17 -3.76 -0.05 0.00 -1.09 0.00 0.00 33.01 27.93 3lfq s GLN 5 CO 0.07 -0.39 1.25 0.15 -1.32 0.00 0.00 175.29 175.05 3lfq s LYS 6 N 1.81 4.39 -0.19 9.60 1.02 -1.26 -0.60 119.74 134.50 3lfq s LYS 6 Ca 0.08 1.81 -0.21 0.00 0.02 0.00 0.00 55.97 57.67 3lfq s LYS 6 Cb -0.17 -3.40 -0.19 0.00 -0.52 0.00 0.00 37.83 33.55 3lfq s LYS 6 CO 0.11 -0.35 0.26 -0.24 -0.92 0.00 0.00 175.35 174.21 3lfq h VAL 7 N 4.62 0.96 -2.64 3.17 3.04 -1.36 -3.48 116.25 120.56 3lfq h VAL 7 Ca -0.40 -2.10 0.05 0.00 -1.01 0.00 0.00 66.70 63.25 3lfq h VAL 7 Cb 1.20 2.19 -0.13 0.00 -2.01 0.00 0.00 31.29 32.54 3lfq h VAL 7 CO 0.84 0.33 0.35 -1.83 -1.01 0.00 0.00 177.57 176.25 3lfq s GLU 8 N -2.32 1.10 -0.06 4.17 -1.05 -1.17 -5.02 118.70 114.35 3lfq s GLU 8 Ca -0.26 -0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 3lfq s GLU 8 Cb 0.04 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 3lfq s GLU 8 CO 0.57 -0.48 1.04 0.21 0.95 0.00 0.00 175.26 177.55 3lfq s LYS 9 N -3.45 4.45 -0.02 -4.83 2.20 -1.26 -0.34 119.74 116.49 3lfq s LYS 9 Ca 0.04 1.47 0.17 0.00 -0.36 0.00 0.00 55.97 57.29 3lfq s LYS 9 Cb -0.01 -3.51 -0.26 0.00 -1.51 0.00 0.00 37.83 32.54 3lfq s LYS 9 CO -0.09 -0.25 0.40 0.44 -0.36 0.00 0.00 175.35 175.49 3lfq n ILE 10 N 4.33 0.00 -1.66 5.43 -5.35 0.32 -4.87 119.36 117.56 3lfq n ILE 10 Ca 0.08 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3lfq n ILE 10 Cb 0.49 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 3lfq n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lfq n GLY 11 N 1.51 -1.44 2.88 3.28 0.00 -0.94 -5.01 105.19 105.46 3lfq n GLY 11 Ca -0.03 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3lfq n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lfq s GLU 12 N -1.28 1.36 0.00 1.61 2.02 -1.26 -1.19 118.70 119.97 3lfq s GLU 12 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3lfq s GLU 12 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3lfq s GLU 12 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.23 3lfq n GLY 13 N 4.88 -0.95 0.21 -1.39 0.00 0.06 -4.97 105.19 103.02 3lfq n GLY 13 Ca -0.12 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 3lfq n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3lfq h THR 14 N -0.90 1.31 0.00 2.61 2.02 -1.99 -3.39 112.91 112.57 3lfq h THR 14 Ca 0.00 -2.06 -0.38 0.00 0.77 0.00 0.00 66.41 64.75 3lfq h THR 14 Cb 0.00 2.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 3lfq h THR 14 CO 0.00 0.64 -2.41 -1.22 0.37 0.00 0.00 175.52 172.90 3lfq n TYR 15 N -3.89 0.03 -3.84 3.16 4.01 -1.26 -2.22 117.16 113.15 3lfq n TYR 15 Ca -0.07 0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3lfq n TYR 15 Cb 0.75 -1.00 0.01 0.00 -0.31 0.00 0.00 39.34 38.78 3lfq n TYR 15 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3lfq s GLY 16 N -5.92 0.06 0.43 2.72 0.00 -1.26 -4.34 107.32 99.00 3lfq s GLY 16 Ca -0.21 -0.27 -0.24 0.00 0.00 0.00 0.00 44.72 44.00 3lfq s GLY 16 CO 0.73 1.56 1.21 0.14 0.00 0.00 0.00 173.10 176.74 3lfq s VAL 17 N -2.45 2.93 -0.17 1.40 1.01 -1.19 -0.76 120.40 121.18 3lfq s VAL 17 Ca 0.19 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3lfq s VAL 17 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3lfq s VAL 17 CO 0.05 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.36 3lfq s VAL 18 N -1.40 2.58 0.19 2.92 1.01 -0.33 -1.74 120.40 123.62 3lfq s VAL 18 Ca 0.60 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.88 3lfq s VAL 18 Cb -0.33 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3lfq s VAL 18 CO 0.41 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.61 3lfq s TYR 19 N 0.98 2.61 -0.16 5.22 2.02 0.32 -0.52 117.35 127.82 3lfq s TYR 19 Ca -0.02 -0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 56.25 3lfq s TYR 19 Cb -0.15 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3lfq s TYR 19 CO -0.03 0.52 0.55 0.21 -1.57 0.00 0.00 175.55 175.23 3lfq s LYS 20 N -2.86 4.27 0.05 -0.62 2.20 0.54 0.06 119.74 123.38 3lfq s LYS 20 Ca 0.25 0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 56.37 3lfq s LYS 20 Cb -0.09 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3lfq s LYS 20 CO 0.15 -0.06 -0.02 0.00 -0.36 0.00 0.00 175.35 175.06 3lfq s ALA 21 N 1.31 0.43 -0.12 3.13 0.00 -0.44 -0.88 121.76 125.18 3lfq s ALA 21 Ca 0.27 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3lfq s ALA 21 Cb -0.16 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3lfq s ALA 21 CO 0.11 -0.35 -0.17 0.50 0.00 0.00 0.00 175.76 175.85 3lfq s ARG 22 N -3.61 3.27 0.17 0.00 3.52 0.23 -0.78 118.95 121.75 3lfq s ARG 22 Ca 0.04 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3lfq s ARG 22 Cb 0.06 -2.52 -0.08 0.00 -1.56 0.00 0.00 34.95 30.85 3lfq s ARG 22 CO -0.09 0.21 1.21 1.21 -0.81 0.00 0.00 175.30 177.03 3lfq s ASN 23 N 0.34 7.07 0.10 -2.12 3.84 0.14 -0.50 114.94 123.81 3lfq s ASN 23 Ca -0.13 2.21 -0.12 0.00 0.21 0.00 0.00 52.86 55.03 3lfq s ASN 23 Cb -0.17 -2.60 -0.17 0.00 -0.55 0.00 0.00 41.25 37.76 3lfq s ASN 23 CO 0.07 -0.40 1.26 0.11 -2.79 0.00 0.00 177.10 175.35 3lfq h LYS 24 N 5.51 0.70 0.09 0.43 1.57 -0.80 -1.52 116.57 122.54 3lfq h LYS 24 Ca -0.44 -0.66 -0.26 0.00 -1.87 0.00 0.00 60.65 57.42 3lfq h LYS 24 Cb 1.21 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3lfq h LYS 24 CO 0.76 1.26 -1.25 1.37 -0.57 0.00 0.00 179.45 181.02 3lfq h LEU 25 N 0.43 0.30 0.00 2.94 -0.00 -1.94 -3.38 115.31 113.67 3lfq h LEU 25 Ca -0.09 -0.34 -0.08 0.00 -0.00 0.00 0.00 57.88 57.37 3lfq h LEU 25 Cb 1.55 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 3lfq h LEU 25 CO 0.18 1.27 -2.05 0.35 -0.00 0.00 0.00 178.44 178.20 3lfq n THR 26 N -3.46 0.28 -0.96 0.15 -2.24 -1.26 -4.99 114.28 101.81 3lfq n THR 26 Ca -0.08 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3lfq n THR 26 Cb 1.01 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3lfq n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lfq n GLY 27 N 1.41 0.82 3.74 3.38 0.00 -0.57 -5.00 105.19 108.96 3lfq n GLY 27 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3lfq n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lfq s GLU 28 N -0.12 4.18 -0.22 1.61 2.12 -1.26 -4.65 118.70 120.37 3lfq s GLU 28 Ca 0.00 2.47 -0.17 0.00 0.36 0.00 0.00 54.97 57.63 3lfq s GLU 28 Cb 0.00 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 3lfq s GLU 28 CO 0.00 -0.60 0.46 0.08 -0.54 0.00 0.00 175.26 174.66 3lfq s VAL 29 N 0.51 5.14 0.33 3.70 1.01 -1.26 -0.69 120.40 129.14 3lfq s VAL 29 Ca 0.66 0.82 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3lfq s VAL 29 Cb -0.46 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3lfq s VAL 29 CO 0.40 0.19 0.11 0.68 0.00 0.00 0.00 175.10 176.47 3lfq s VAL 30 N 1.68 0.72 -0.20 2.92 -7.23 0.04 -4.37 120.40 113.94 3lfq s VAL 30 Ca 0.21 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3lfq s VAL 30 Cb -0.15 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3lfq s VAL 30 CO 0.09 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.89 3lfq s ALA 31 N -3.43 3.06 -0.28 1.32 0.00 0.20 -1.33 121.76 121.30 3lfq s ALA 31 Ca 0.33 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3lfq s ALA 31 Cb 0.06 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.42 3lfq s ALA 31 CO 0.15 -0.15 -0.03 -1.17 0.00 0.00 0.00 175.76 174.56 3lfq s LEU 32 N 1.00 3.57 -0.22 0.00 1.98 0.11 -0.49 118.68 124.63 3lfq s LEU 32 Ca 0.02 -1.11 -0.12 0.00 -2.89 0.00 0.00 54.13 50.03 3lfq s LEU 32 Cb -0.14 -1.68 -0.05 0.00 0.66 0.00 0.00 46.19 44.98 3lfq s LEU 32 CO 0.02 -0.20 0.24 -0.75 -1.89 0.00 0.00 176.35 173.77 3lfq s LYS 33 N 1.28 4.12 -0.30 1.98 2.20 -0.49 -0.52 119.74 128.01 3lfq s LYS 33 Ca -0.03 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.41 3lfq s LYS 33 Cb -0.18 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 3lfq s LYS 33 CO -0.03 0.05 0.11 0.15 -0.36 0.00 0.00 175.35 175.27 3lfq s LYS 34 N 1.07 3.22 -0.24 4.03 1.02 -0.71 -1.18 119.74 126.94 3lfq s LYS 34 Ca 0.12 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.25 3lfq s LYS 34 Cb -0.14 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3lfq s LYS 34 CO 0.05 -0.42 0.07 0.42 -0.92 0.00 0.00 175.35 174.55 3lfq s ILE 35 N 1.55 4.39 0.00 2.17 1.01 0.59 -3.17 121.20 127.74 3lfq s ILE 35 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3lfq s ILE 35 Cb -0.17 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3lfq s ILE 35 CO 0.04 0.35 0.00 -2.11 0.00 0.00 0.00 174.94 173.22 3lfq n ARG 36 N 4.73 0.00 -0.09 2.79 1.85 -1.26 -1.65 116.66 123.03 3lfq n ARG 36 Ca -0.16 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.50 3lfq n ARG 36 Cb 0.52 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.86 3lfq n ARG 36 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3lfq n SER 46 N 6.77 1.47 -0.05 2.89 3.41 -1.26 -5.00 113.62 121.85 3lfq n SER 46 Ca 0.00 0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.81 3lfq n SER 46 Cb 0.00 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.51 3lfq n SER 46 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3lfq h THR 47 N -0.72 1.26 -0.45 6.66 2.02 -1.99 -2.11 112.91 117.57 3lfq h THR 47 Ca -0.41 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 65.49 3lfq h THR 47 Cb 1.31 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3lfq h THR 47 CO -0.25 0.39 -0.10 0.00 0.37 0.00 0.00 175.52 175.93 3lfq h ALA 48 N 1.24 0.61 -0.60 6.16 0.00 -1.99 -2.47 119.26 122.21 3lfq h ALA 48 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3lfq h ALA 48 Cb 0.61 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3lfq h ALA 48 CO 0.04 0.50 0.31 0.82 0.00 0.00 0.00 179.25 180.92 3lfq h ILE 49 N 0.69 1.20 0.36 0.00 1.08 -1.90 -1.45 117.51 117.49 3lfq h ILE 49 Ca 0.11 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 3lfq h ILE 49 Cb 0.64 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 3lfq h ILE 49 CO 0.04 0.22 -0.29 -0.09 -0.69 0.00 0.00 178.15 177.35 3lfq h ARG 50 N 0.81 -0.63 -0.77 2.37 9.65 -1.32 -0.22 114.38 124.26 3lfq h ARG 50 Ca 0.21 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.19 3lfq h ARG 50 Cb 0.07 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 3lfq h ARG 50 CO -0.03 -0.42 0.46 0.93 2.80 0.00 0.00 179.97 183.71 3lfq h GLU 51 N -0.66 0.81 -0.18 0.20 4.39 -1.31 -2.73 114.58 115.10 3lfq h GLU 51 Ca -0.03 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.42 3lfq h GLU 51 Cb 0.57 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3lfq h GLU 51 CO -0.01 0.54 -0.68 0.82 -1.16 0.00 0.00 179.01 178.51 3lfq h ILE 52 N 0.84 1.30 -0.48 3.13 2.04 -1.14 -3.15 117.51 120.05 3lfq h ILE 52 Ca 0.34 -1.92 0.01 0.00 1.00 0.00 0.00 64.86 64.29 3lfq h ILE 52 Cb 0.19 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3lfq h ILE 52 CO -0.18 0.61 0.32 0.28 0.00 0.00 0.00 178.15 179.17 3lfq h SER 53 N 0.51 0.54 -0.31 1.72 0.02 -0.82 -1.33 113.55 113.89 3lfq h SER 53 Ca -0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3lfq h SER 53 Cb 1.29 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3lfq h SER 53 CO 0.14 0.39 0.10 -0.07 -1.14 0.00 0.00 176.83 176.25 3lfq h LEU 54 N 0.64 0.51 -1.92 5.07 3.38 -1.45 -2.88 115.31 118.65 3lfq h LEU 54 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3lfq h LEU 54 Cb -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3lfq h LEU 54 CO -0.04 0.50 0.00 -0.07 0.09 0.00 0.00 178.44 178.92 3lfq h LEU 55 N 0.55 0.00 -1.87 1.67 3.38 -1.26 -2.39 115.31 115.39 3lfq h LEU 55 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3lfq h LEU 55 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3lfq h LEU 55 CO -0.01 0.00 -0.08 0.11 0.09 0.00 0.00 178.44 178.56 3lfq h LYS 56 N 0.00 0.00 0.00 1.13 1.57 -1.61 -3.01 116.57 114.64 3lfq h LYS 56 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3lfq h LYS 56 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3lfq h LYS 56 CO 0.00 0.08 -1.28 0.39 -0.57 0.00 0.00 179.45 178.07 3lfq n GLU 57 N -3.34 0.62 -2.85 3.15 4.71 -0.90 -4.71 120.64 117.32 3lfq n GLU 57 Ca -0.01 0.18 -0.43 0.00 -0.01 0.00 0.00 57.16 56.89 3lfq n GLU 57 Cb 0.25 -1.81 -0.01 0.00 -1.01 0.00 0.00 31.44 28.86 3lfq n GLU 57 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 3lfq s LEU 58 N -5.62 4.72 -0.18 -4.62 -0.00 -1.14 -4.97 118.68 106.87 3lfq s LEU 58 Ca -0.02 -2.46 -0.09 0.00 -0.00 0.00 0.00 54.13 51.56 3lfq s LEU 58 Cb 0.09 -2.44 -0.05 0.00 -0.00 0.00 0.00 46.19 43.79 3lfq s LEU 58 CO 0.80 -0.99 0.12 0.20 -0.00 0.00 0.00 176.35 176.49 3lfq s ASN 59 N 3.51 6.11 -0.12 1.48 0.02 -1.26 -4.97 114.94 119.71 3lfq s ASN 59 Ca 0.41 0.24 -0.21 0.00 -1.02 0.00 0.00 52.86 52.28 3lfq s ASN 59 Cb -0.02 -2.05 0.05 0.00 0.02 0.00 0.00 41.25 39.25 3lfq s ASN 59 CO -0.03 0.21 0.53 -2.28 0.02 0.00 0.00 177.10 175.56 3lfq s HIS 60 N 0.15 -0.52 0.63 2.20 2.46 -1.26 -5.06 115.29 113.88 3lfq s HIS 60 Ca 0.08 1.11 0.34 0.00 0.47 0.00 0.00 55.06 57.07 3lfq s HIS 60 Cb -0.11 0.24 1.95 0.00 -0.13 0.00 0.00 32.58 34.52 3lfq s HIS 60 CO -0.01 -0.40 2.20 -1.35 -2.47 0.00 0.00 174.74 172.72 3lfq h PRO 61 N 4.34 0.00 -0.66 2.88 0.11 -1.99 -1.74 132.00 134.94 3lfq h PRO 61 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3lfq h PRO 61 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3lfq h PRO 61 CO 0.28 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.16 3lfq n ASN 62 N -3.46 4.68 -4.18 -2.05 4.13 -1.26 -4.86 115.26 108.26 3lfq n ASN 62 Ca -0.01 -2.40 -0.32 0.00 1.68 0.00 0.00 54.58 53.52 3lfq n ASN 62 Cb 0.19 -0.57 -0.17 0.00 -1.54 0.00 0.00 39.78 37.70 3lfq n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3lfq s ILE 63 N -1.76 2.01 0.11 2.41 -1.09 -0.65 -1.41 121.20 120.81 3lfq s ILE 63 Ca 0.51 -0.97 -0.31 0.00 -2.23 0.00 0.00 60.65 57.65 3lfq s ILE 63 Cb 0.32 -1.76 -0.10 0.00 -1.58 0.00 0.00 42.46 39.34 3lfq s ILE 63 CO 0.26 0.54 1.87 -0.69 -1.23 0.00 0.00 174.94 175.69 3lfq s VAL 64 N 0.61 2.62 0.16 2.92 1.01 -0.45 -4.57 120.40 122.71 3lfq s VAL 64 Ca -0.12 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3lfq s VAL 64 Cb -0.17 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 3lfq s VAL 64 CO 0.03 -0.00 1.37 -0.75 0.00 0.00 0.00 175.10 175.75 3lfq s LYS 65 N 3.15 4.34 -0.55 2.72 2.20 -1.26 -4.90 119.74 125.44 3lfq s LYS 65 Ca 0.83 2.09 -0.20 0.00 -0.36 0.00 0.00 55.97 58.33 3lfq s LYS 65 Cb -0.45 -3.22 0.07 0.00 -1.51 0.00 0.00 37.83 32.72 3lfq s LYS 65 CO 0.38 -0.37 0.70 -1.17 -0.36 0.00 0.00 175.35 174.52 3lfq s LEU 66 N 0.55 4.99 0.01 5.43 2.96 -1.26 -1.76 118.68 129.60 3lfq s LEU 66 Ca 0.61 -1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.28 3lfq s LEU 66 Cb -0.37 -2.43 -0.19 0.00 0.50 0.00 0.00 46.19 43.70 3lfq s LEU 66 CO 0.34 -1.02 1.19 -0.07 -1.32 0.00 0.00 176.35 175.46 3lfq h LEU 67 N 10.00 0.44 -7.17 -0.68 4.07 -1.06 -3.43 115.31 117.48 3lfq h LEU 67 Ca -0.28 -0.65 -0.05 0.00 0.08 0.00 0.00 57.88 56.98 3lfq h LEU 67 Cb 1.09 -0.13 -0.15 0.00 1.08 0.00 0.00 40.66 42.55 3lfq h LEU 67 CO 1.03 1.02 0.08 -1.81 -1.08 0.00 0.00 178.44 177.68 3lfq s ASP 68 N -6.45 -0.45 -0.17 -0.43 1.01 -1.12 -5.01 116.67 104.05 3lfq s ASP 68 Ca -0.14 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.21 3lfq s ASP 68 Cb 0.04 0.52 0.03 0.00 1.01 0.00 0.00 42.92 44.52 3lfq s ASP 68 CO 0.78 -0.80 -0.11 -0.69 0.21 0.00 0.00 175.17 174.56 3lfq s VAL 69 N -2.94 1.55 -0.24 -1.27 1.01 -1.26 -1.13 120.40 116.11 3lfq s VAL 69 Ca -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3lfq s VAL 69 Cb -0.00 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.87 3lfq s VAL 69 CO -0.06 0.29 -0.12 -0.63 0.00 0.00 0.00 175.10 174.59 3lfq s ILE 70 N 1.46 2.25 -0.36 2.22 1.01 0.28 -5.00 121.20 123.07 3lfq s ILE 70 Ca 0.02 -1.41 -0.07 0.00 0.00 0.00 0.00 60.65 59.19 3lfq s ILE 70 Cb -0.15 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.15 3lfq s ILE 70 CO -0.09 0.12 0.14 -2.28 0.00 0.00 0.00 174.94 172.83 3lfq s HIS 71 N 1.17 3.27 -0.11 3.97 2.46 -1.26 0.16 115.29 124.95 3lfq s HIS 71 Ca -0.05 -1.38 -0.19 0.00 0.47 0.00 0.00 55.06 53.91 3lfq s HIS 71 Cb -0.18 -2.41 0.04 0.00 -0.13 0.00 0.00 32.58 29.90 3lfq s HIS 71 CO -0.07 -0.74 0.47 0.99 -2.47 0.00 0.00 174.74 172.93 3lfq s THR 72 N 1.42 0.02 -0.62 0.89 2.01 -0.66 -5.02 115.64 113.69 3lfq s THR 72 Ca -0.00 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 3lfq s THR 72 Cb -0.20 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.59 3lfq s THR 72 CO 0.03 -0.08 0.45 -0.62 -0.69 0.00 0.00 174.62 173.71 3lfq n GLU 73 N 2.00 -1.14 -2.35 4.92 1.02 -1.26 -1.23 120.64 122.60 3lfq n GLU 73 Ca -0.17 0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 57.36 3lfq n GLU 73 Cb 0.56 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3lfq n GLU 73 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3lfq n ASN 74 N -1.84 -4.45 -3.97 1.62 0.23 -1.26 -4.99 115.26 100.61 3lfq n ASN 74 Ca -0.24 0.15 -0.10 0.00 -0.53 0.00 0.00 54.58 53.86 3lfq n ASN 74 Cb 0.52 -3.78 -0.12 0.00 -2.08 0.00 0.00 39.78 34.32 3lfq n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3lfq s LYS 75 N -4.89 0.27 -0.23 -3.83 1.02 -0.37 -4.76 119.74 106.96 3lfq s LYS 75 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.49 3lfq s LYS 75 Cb 0.00 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.42 3lfq s LYS 75 CO 0.00 -0.04 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.09 3lfq s LEU 76 N -1.22 2.91 -0.24 3.17 0.20 -0.66 -1.65 118.68 121.19 3lfq s LEU 76 Ca -0.13 -1.13 -0.10 0.00 0.69 0.00 0.00 54.13 53.47 3lfq s LEU 76 Cb -0.08 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.16 3lfq s LEU 76 CO -0.01 -0.14 0.14 -0.31 -0.29 0.00 0.00 176.35 175.74 3lfq s TYR 77 N 1.20 3.24 -0.23 5.38 2.02 0.12 -0.30 117.35 128.79 3lfq s TYR 77 Ca -0.04 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.69 3lfq s TYR 77 Cb -0.18 -2.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 3lfq s TYR 77 CO -0.08 -0.06 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.29 3lfq s LEU 78 N 1.24 2.97 -0.33 -1.29 1.43 -0.33 -0.56 118.68 121.81 3lfq s LEU 78 Ca 0.06 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3lfq s LEU 78 Cb -0.14 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3lfq s LEU 78 CO 0.05 -0.06 0.39 -0.69 0.23 0.00 0.00 176.35 176.28 3lfq s VAL 79 N 1.43 5.14 0.22 -1.59 1.01 -0.29 -1.40 120.40 124.92 3lfq s VAL 79 Ca 0.04 0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.34 3lfq s VAL 79 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3lfq s VAL 79 CO -0.04 -0.07 -0.17 -0.36 0.00 0.00 0.00 175.10 174.46 3lfq s PHE 80 N 2.11 2.41 0.37 5.22 0.08 0.36 -0.37 117.98 128.15 3lfq s PHE 80 Ca 0.14 -0.31 -0.28 0.00 0.12 0.00 0.00 56.93 56.60 3lfq s PHE 80 Cb -0.16 -1.14 -0.11 0.00 -0.57 0.00 0.00 43.02 41.04 3lfq s PHE 80 CO 0.12 0.58 1.50 -2.00 -0.10 0.00 0.00 175.22 175.31 3lfq s GLU 81 N -3.04 4.11 -0.10 0.44 2.12 -0.72 -0.63 118.70 120.88 3lfq s GLU 81 Ca 0.25 2.58 -0.11 0.00 0.36 0.00 0.00 54.97 58.05 3lfq s GLU 81 Cb -0.07 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 3lfq s GLU 81 CO 0.13 -0.54 0.24 0.12 -0.54 0.00 0.00 175.26 174.67 3lfq s PHE 82 N -1.03 3.60 -0.02 5.30 5.36 -1.26 -4.46 117.98 125.47 3lfq s PHE 82 Ca 0.54 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 57.19 3lfq s PHE 82 Cb -0.47 -2.13 -0.00 0.00 -0.34 0.00 0.00 43.02 40.09 3lfq s PHE 82 CO 0.62 0.60 -0.09 -0.51 -1.46 0.00 0.00 175.22 174.38 3lfq s LEU 83 N -0.69 1.87 0.37 6.12 1.02 -1.26 -5.02 118.68 121.09 3lfq s LEU 83 Ca 0.17 -0.17 0.10 0.00 0.02 0.00 0.00 54.13 54.25 3lfq s LEU 83 Cb -0.13 -0.51 0.74 0.00 0.02 0.00 0.00 46.19 46.30 3lfq s LEU 83 CO 0.06 0.08 1.87 0.45 0.02 0.00 0.00 176.35 178.84 3lfq h HIS 84 N 6.21 0.19 -4.03 0.29 3.86 -2.00 -3.47 115.15 116.20 3lfq h HIS 84 Ca -0.32 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.67 3lfq h HIS 84 Cb 1.17 -0.05 -0.15 0.00 1.06 0.00 0.00 27.41 29.44 3lfq h HIS 84 CO 0.43 0.39 -0.68 -1.14 0.86 0.00 0.00 177.93 177.79 3lfq s GLN 85 N -4.53 0.81 0.24 2.45 0.74 -1.19 -5.06 119.66 113.13 3lfq s GLN 85 Ca -0.05 -1.34 0.09 0.00 0.05 0.00 0.00 55.36 54.12 3lfq s GLN 85 Cb 0.15 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 3lfq s GLN 85 CO 0.73 -0.10 -0.04 0.16 -0.55 0.00 0.00 175.29 175.50 3lfq s ASP 86 N -3.02 4.44 0.43 6.67 1.47 -1.26 -1.15 116.67 124.24 3lfq s ASP 86 Ca 0.14 -0.63 0.11 0.00 1.18 0.00 0.00 52.55 53.35 3lfq s ASP 86 Cb 0.07 -0.80 0.94 0.00 -0.34 0.00 0.00 42.92 42.79 3lfq s ASP 86 CO -0.04 0.03 2.01 0.25 0.68 0.00 0.00 175.17 178.10 3lfq h LEU 87 N 2.21 0.18 0.16 2.11 5.85 -0.57 -2.73 115.31 122.52 3lfq h LEU 87 Ca -0.45 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3lfq h LEU 87 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3lfq h LEU 87 CO 0.59 0.26 -0.08 0.50 -0.34 0.00 0.00 178.44 179.37 3lfq h LYS 88 N 0.19 -0.21 -0.36 1.25 1.63 -1.80 -0.50 116.57 116.77 3lfq h LYS 88 Ca 0.05 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 3lfq h LYS 88 Cb 0.21 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3lfq h LYS 88 CO 0.01 -0.13 -0.06 0.87 -3.45 0.00 0.00 179.45 176.68 3lfq h LYS 89 N -0.22 0.60 -0.52 1.90 1.57 -1.89 -1.86 116.57 116.15 3lfq h LYS 89 Ca -0.02 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 3lfq h LYS 89 Cb 0.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3lfq h LYS 89 CO 0.04 0.67 -0.10 0.35 -0.57 0.00 0.00 179.45 179.84 3lfq h PHE 90 N 0.56 1.10 -0.58 -1.35 3.57 -1.32 -0.75 116.94 118.17 3lfq h PHE 90 Ca 0.11 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 3lfq h PHE 90 Cb 0.46 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3lfq h PHE 90 CO 0.02 1.03 0.23 0.52 -2.23 0.00 0.00 178.31 177.88 3lfq h MET 91 N 0.86 0.88 -0.29 1.11 2.86 -0.85 -1.60 114.93 117.90 3lfq h MET 91 Ca 0.14 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3lfq h MET 91 Cb 0.66 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3lfq h MET 91 CO 0.05 0.75 0.04 -0.44 1.06 0.00 0.00 176.91 178.37 3lfq h ASP 92 N 0.81 0.46 0.38 1.22 3.32 -1.23 -1.93 116.42 119.45 3lfq h ASP 92 Ca 0.19 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3lfq h ASP 92 Cb 0.21 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3lfq h ASP 92 CO -0.02 0.61 -0.09 0.00 -1.72 0.00 0.00 179.24 178.02 3lfq h ALA 93 N 0.87 1.23 -0.48 3.45 0.00 -1.04 -2.73 119.26 120.57 3lfq h ALA 93 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lfq h ALA 93 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3lfq h ALA 93 CO 0.01 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.80 3lfq n SER 94 N -3.54 3.40 -0.19 0.00 7.64 -0.61 -4.71 113.62 115.61 3lfq n SER 94 Ca -0.02 -1.96 0.16 0.00 1.01 0.00 0.00 58.87 58.07 3lfq n SER 94 Cb 0.22 -0.31 0.51 0.00 -1.01 0.00 0.00 64.21 63.61 3lfq n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lfq h ALA 95 N 3.61 2.14 -0.01 -0.43 0.00 -1.03 0.23 119.26 123.77 3lfq h ALA 95 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3lfq h ALA 95 Cb 0.88 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3lfq h ALA 95 CO 0.00 -0.36 -0.95 -0.07 0.00 0.00 0.00 179.25 177.87 3lfq h LEU 96 N 0.42 0.65 0.00 0.00 -0.00 -1.84 -3.38 115.31 111.15 3lfq h LEU 96 Ca 0.40 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3lfq h LEU 96 Cb 0.93 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 3lfq h LEU 96 CO -0.13 1.31 -1.23 0.35 -0.00 0.00 0.00 178.44 178.73 3lfq n THR 97 N -3.79 0.00 0.00 0.22 -2.24 -1.15 -5.13 114.28 102.19 3lfq n THR 97 Ca -0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3lfq n THR 97 Cb 0.84 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3lfq n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lfq n GLY 98 N 1.96 -0.82 3.71 3.38 0.00 0.81 -4.91 105.19 109.31 3lfq n GLY 98 Ca -0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3lfq n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lfq s ILE 99 N -3.06 4.78 0.42 -0.61 1.01 -1.26 -4.95 121.20 117.53 3lfq s ILE 99 Ca 0.00 2.00 -0.26 0.00 0.00 0.00 0.00 60.65 62.39 3lfq s ILE 99 Cb 0.00 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 3lfq s ILE 99 CO 0.00 0.15 1.35 -2.65 0.00 0.00 0.00 174.94 173.78 3lfq n PRO 100 N 3.98 2.12 -0.24 2.79 -0.02 -1.26 -4.77 135.00 137.60 3lfq n PRO 100 Ca 0.06 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.34 3lfq n PRO 100 Cb 0.50 -2.49 0.17 0.00 -0.02 0.00 0.00 33.50 31.67 3lfq n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3lfq h LEU 101 N 2.27 0.08 -1.69 2.45 5.85 -1.99 -1.66 115.31 120.61 3lfq h LEU 101 Ca -0.49 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.49 3lfq h LEU 101 Cb 1.28 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 3lfq h LEU 101 CO 0.61 0.01 0.43 -0.65 -0.34 0.00 0.00 178.44 178.49 3lfq h PRO 102 N 0.31 0.32 0.02 5.25 0.11 -1.99 -1.12 132.00 134.90 3lfq h PRO 102 Ca 0.40 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.29 3lfq h PRO 102 Cb 0.65 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.70 3lfq h PRO 102 CO -0.46 0.21 -0.81 1.25 -0.21 0.00 0.00 178.00 177.98 3lfq h LEU 103 N 0.33 0.67 -0.31 2.35 5.85 -1.68 -2.16 115.31 120.36 3lfq h LEU 103 Ca 0.30 -0.78 0.06 0.00 0.84 0.00 0.00 57.88 58.30 3lfq h LEU 103 Cb 0.73 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3lfq h LEU 103 CO -0.08 1.36 -0.01 0.40 -0.34 0.00 0.00 178.44 179.78 3lfq h ILE 104 N 0.05 0.76 -0.25 4.05 2.04 -1.01 0.08 117.51 123.23 3lfq h ILE 104 Ca -0.11 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3lfq h ILE 104 Cb 1.51 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3lfq h ILE 104 CO 0.16 0.02 0.12 0.50 0.00 0.00 0.00 178.15 178.94 3lfq h LYS 105 N 0.08 0.24 -0.38 2.37 3.64 -1.27 0.53 116.57 121.79 3lfq h LYS 105 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3lfq h LYS 105 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3lfq h LYS 105 CO -0.26 0.16 0.19 1.03 -2.27 0.00 0.00 179.45 178.30 3lfq h SER 106 N 0.25 0.50 -0.34 4.20 0.87 -1.08 -0.91 113.55 117.03 3lfq h SER 106 Ca 0.11 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3lfq h SER 106 Cb 0.04 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3lfq h SER 106 CO -0.08 0.48 0.19 1.88 -0.53 0.00 0.00 176.83 178.77 3lfq h TYR 107 N 0.48 0.46 -0.61 2.24 0.05 -0.77 -1.14 116.97 117.68 3lfq h TYR 107 Ca 0.13 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 3lfq h TYR 107 Cb 0.11 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3lfq h TYR 107 CO -0.02 0.36 0.28 1.25 -1.05 0.00 0.00 178.16 178.98 3lfq h LEU 108 N 0.43 0.82 -0.19 3.88 5.85 -0.77 -1.23 115.31 124.10 3lfq h LEU 108 Ca 0.12 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3lfq h LEU 108 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3lfq h LEU 108 CO -0.02 0.73 0.08 0.15 -0.34 0.00 0.00 178.44 179.04 3lfq h PHE 109 N 0.85 0.15 -0.59 1.25 3.57 -0.92 -0.87 116.94 120.37 3lfq h PHE 109 Ca 0.21 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3lfq h PHE 109 Cb 0.14 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3lfq h PHE 109 CO 0.00 0.08 0.09 1.96 -2.23 0.00 0.00 178.31 178.22 3lfq h GLN 110 N 0.18 0.99 -0.45 1.11 4.20 -1.07 -2.27 115.11 117.79 3lfq h GLN 110 Ca 0.08 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3lfq h GLN 110 Cb 0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3lfq h GLN 110 CO -0.06 0.93 0.19 -0.07 -0.67 0.00 0.00 178.83 179.15 3lfq h LEU 111 N 0.89 0.62 -1.38 1.46 4.07 -1.07 -2.44 115.31 117.45 3lfq h LEU 111 Ca 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3lfq h LEU 111 Cb 0.43 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3lfq h LEU 111 CO 0.01 0.61 0.09 -0.07 -1.08 0.00 0.00 178.44 178.00 3lfq h LEU 112 N 0.59 0.46 -0.40 1.67 3.38 -0.96 -1.72 115.31 118.33 3lfq h LEU 112 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3lfq h LEU 112 Cb 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3lfq h LEU 112 CO -0.01 0.47 0.05 1.56 0.09 0.00 0.00 178.44 180.59 3lfq h GLN 113 N 0.50 0.67 -0.59 1.13 4.20 -1.14 0.21 115.11 120.10 3lfq h GLN 113 Ca 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3lfq h GLN 113 Cb 0.19 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3lfq h GLN 113 CO -0.00 0.73 0.32 0.78 -0.67 0.00 0.00 178.83 179.99 3lfq h GLY 114 N 0.51 0.88 0.82 3.46 0.00 -1.10 -1.71 103.07 105.93 3lfq h GLY 114 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3lfq h GLY 114 CO 0.01 0.38 0.01 1.41 0.00 0.00 0.00 176.54 178.35 3lfq h LEU 115 N 0.80 0.02 -0.92 3.11 4.07 -1.23 -2.29 115.31 118.88 3lfq h LEU 115 Ca 0.21 -0.19 0.11 0.00 0.08 0.00 0.00 57.88 58.09 3lfq h LEU 115 Cb 0.04 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.70 3lfq h LEU 115 CO -0.03 0.20 0.55 0.00 -1.08 0.00 0.00 178.44 178.08 3lfq h ALA 116 N 0.82 1.35 0.41 1.53 0.00 -0.80 0.17 119.26 122.74 3lfq h ALA 116 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3lfq h ALA 116 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3lfq h ALA 116 CO -0.00 0.17 -0.20 0.35 0.00 0.00 0.00 179.25 179.57 3lfq h PHE 117 N 0.90 -0.51 -0.30 0.00 3.57 -1.21 -2.22 116.94 117.16 3lfq h PHE 117 Ca 0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.94 3lfq h PHE 117 Cb 0.42 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3lfq h PHE 117 CO -0.03 -0.22 0.19 0.00 -2.23 0.00 0.00 178.31 176.02 3lfq h HIS 119 N 0.40 0.10 0.00 0.00 3.86 -0.91 -1.19 115.15 117.40 3lfq h HIS 119 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3lfq h HIS 119 Cb -0.03 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3lfq h HIS 119 CO -0.05 0.07 -0.16 0.66 0.86 0.00 0.00 177.93 179.31 3lfq h SER 120 N 0.10 0.00 -0.61 2.45 4.64 -0.98 -2.08 113.55 117.07 3lfq h SER 120 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3lfq h SER 120 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3lfq h SER 120 CO -0.00 0.16 0.00 1.41 -0.87 0.00 0.00 176.83 177.53 3lfq n HIS 121 N -3.40 1.38 -2.63 4.77 8.25 -0.57 -4.96 115.22 118.07 3lfq n HIS 121 Ca -0.00 -0.62 -0.21 0.00 -0.26 0.00 0.00 57.72 56.63 3lfq n HIS 121 Cb 0.35 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.24 3lfq n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3lfq n ARG 122 N 0.99 -2.89 -4.24 -0.41 1.74 -0.78 -5.01 116.66 106.06 3lfq n ARG 122 Ca 0.25 0.96 -0.34 0.00 -0.77 0.00 0.00 57.85 57.94 3lfq n ARG 122 Cb 0.86 -5.67 -0.13 0.00 -1.02 0.00 0.00 32.46 26.50 3lfq n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lfq s VAL 123 N -3.08 3.62 0.23 1.55 1.01 -0.56 -4.99 120.40 118.18 3lfq s VAL 123 Ca 0.12 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3lfq s VAL 123 Cb -0.05 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3lfq s VAL 123 CO 0.14 0.46 -0.08 -1.48 0.00 0.00 0.00 175.10 174.14 3lfq s LEU 124 N 0.84 2.98 -0.13 3.92 2.34 -1.26 -3.11 118.68 124.25 3lfq s LEU 124 Ca -0.01 -0.68 -0.11 0.00 0.06 0.00 0.00 54.13 53.39 3lfq s LEU 124 Cb -0.15 -1.58 -0.08 0.00 -0.56 0.00 0.00 46.19 43.83 3lfq s LEU 124 CO 0.01 0.05 0.12 -0.74 -1.06 0.00 0.00 176.35 174.74 3lfq h HIS 125 N 2.42 0.00 0.00 3.48 -0.00 -1.95 -3.34 115.15 115.75 3lfq h HIS 125 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3lfq h HIS 125 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3lfq h HIS 125 CO 0.69 0.38 0.00 -2.13 -0.00 0.00 0.00 177.93 176.87 3lfq n ARG 126 N -4.66 0.00 -2.67 5.26 0.63 -1.26 -4.41 116.66 109.55 3lfq n ARG 126 Ca -0.08 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.76 3lfq n ARG 126 Cb 0.25 -1.20 0.03 0.00 0.45 0.00 0.00 32.46 31.99 3lfq n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3lfq n ASP 127 N 0.00 1.49 -4.76 6.15 2.03 -1.26 -5.01 116.55 115.19 3lfq n ASP 127 Ca 0.00 -2.67 -0.41 0.00 0.52 0.00 0.00 54.79 52.23 3lfq n ASP 127 Cb 0.00 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 3lfq n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3lfq s LEU 128 N -3.18 4.42 0.12 -2.67 1.43 -1.26 -4.96 118.68 112.57 3lfq s LEU 128 Ca 0.27 2.64 -0.24 0.00 -1.03 0.00 0.00 54.13 55.78 3lfq s LEU 128 Cb 0.45 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 43.10 3lfq s LEU 128 CO 0.03 -0.56 0.59 -1.59 0.23 0.00 0.00 176.35 175.05 3lfq s LYS 129 N -1.29 1.21 0.48 1.70 -2.85 -1.26 -4.79 119.74 112.95 3lfq s LYS 129 Ca 0.52 -0.36 0.17 0.00 -1.00 0.00 0.00 55.97 55.30 3lfq s LYS 129 Cb -0.40 0.56 1.19 0.00 -2.06 0.00 0.00 37.83 37.12 3lfq s LYS 129 CO 0.49 -0.50 2.03 -1.35 0.10 0.00 0.00 175.35 176.12 3lfq h PRO 130 N 2.24 0.19 -0.00 1.78 0.11 -1.95 -2.14 132.00 132.23 3lfq h PRO 130 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3lfq h PRO 130 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3lfq h PRO 130 CO 0.39 0.13 -0.06 1.96 -0.21 0.00 0.00 178.00 180.21 3lfq h GLN 131 N 0.20 0.00 -0.47 1.05 7.50 -1.95 -2.79 115.11 118.64 3lfq h GLN 131 Ca 0.20 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.33 3lfq h GLN 131 Cb 0.53 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 3lfq h GLN 131 CO -0.03 0.06 0.02 0.27 -1.50 0.00 0.00 178.83 177.65 3lfq n ASN 132 N -4.47 4.97 -4.23 1.46 0.23 -0.81 -4.82 115.26 107.60 3lfq n ASN 132 Ca -0.03 -3.01 -0.35 0.00 -0.53 0.00 0.00 54.58 50.66 3lfq n ASN 132 Cb 0.14 -0.64 -0.14 0.00 -2.08 0.00 0.00 39.78 37.06 3lfq n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3lfq s LEU 133 N -2.83 3.30 -0.03 -4.53 1.02 -1.07 -0.88 118.68 113.67 3lfq s LEU 133 Ca 0.50 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.83 3lfq s LEU 133 Cb 0.39 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.87 3lfq s LEU 133 CO 0.13 -0.14 -0.03 -0.76 0.02 0.00 0.00 176.35 175.57 3lfq s LEU 134 N 1.36 3.36 0.14 1.79 1.43 -0.08 -0.34 118.68 126.34 3lfq s LEU 134 Ca 0.01 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3lfq s LEU 134 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3lfq s LEU 134 CO -0.03 0.31 -0.18 0.27 0.23 0.00 0.00 176.35 176.96 3lfq s ILE 135 N -0.97 1.67 0.39 -0.59 -4.36 -0.30 -0.44 121.20 116.60 3lfq s ILE 135 Ca 0.16 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.80 3lfq s ILE 135 Cb -0.11 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 3lfq s ILE 135 CO 0.06 -0.29 0.06 0.54 0.24 0.00 0.00 174.94 175.55 3lfq s ASN 136 N -2.46 2.99 0.26 4.36 2.20 -1.11 -3.14 114.94 118.04 3lfq s ASN 136 Ca 0.12 -1.49 0.23 0.00 -0.94 0.00 0.00 52.86 50.78 3lfq s ASN 136 Cb -0.06 0.11 0.99 0.00 -2.00 0.00 0.00 41.25 40.29 3lfq s ASN 136 CO 0.05 -0.70 1.70 0.35 -2.94 0.00 0.00 177.10 175.56 3lfq n THR 137 N -0.88 0.86 1.23 0.54 -2.24 -1.26 -3.18 114.28 109.35 3lfq n THR 137 Ca -0.06 0.28 0.07 0.00 -2.27 0.00 0.00 64.05 62.07 3lfq n THR 137 Cb 0.66 -1.22 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 3lfq n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3lfq n GLU 138 N -2.23 1.61 -0.85 -0.78 1.02 -1.26 -4.58 120.64 113.57 3lfq n GLU 138 Ca 0.02 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 3lfq n GLU 138 Cb 0.21 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3lfq n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lfq n GLY 139 N 0.99 0.62 3.86 0.62 0.00 -1.19 -4.86 105.19 105.23 3lfq n GLY 139 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3lfq n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfq s ALA 140 N -2.25 3.34 -0.02 4.61 0.00 -1.26 -4.90 121.76 121.28 3lfq s ALA 140 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.88 3lfq s ALA 140 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.40 3lfq s ALA 140 CO 0.00 0.16 -0.03 -1.50 0.00 0.00 0.00 175.76 174.39 3lfq s ILE 141 N -2.18 0.29 0.04 0.00 2.07 -1.26 -2.74 121.20 117.41 3lfq s ILE 141 Ca 0.53 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.72 3lfq s ILE 141 Cb -0.10 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 3lfq s ILE 141 CO 0.25 0.12 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.76 3lfq s LYS 142 N 0.41 0.67 -0.19 3.50 1.02 0.42 -4.65 119.74 120.92 3lfq s LYS 142 Ca -0.04 -0.71 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 3lfq s LYS 142 Cb -0.07 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 3lfq s LYS 142 CO -0.01 0.13 0.63 -0.51 -0.92 0.00 0.00 175.35 174.67 3lfq s LEU 143 N -1.28 4.16 0.22 3.17 1.02 -0.50 -0.90 118.68 124.56 3lfq s LEU 143 Ca -0.04 0.86 0.05 0.00 0.02 0.00 0.00 54.13 55.02 3lfq s LEU 143 Cb -0.08 -2.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.19 3lfq s LEU 143 CO 0.01 -0.26 0.25 0.00 0.02 0.00 0.00 176.35 176.38 3lfq s ALA 144 N 1.80 3.76 -0.91 4.21 0.00 -0.06 -1.34 121.76 129.23 3lfq s ALA 144 Ca 0.29 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3lfq s ALA 144 Cb -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3lfq s ALA 144 CO 0.11 0.34 0.00 -0.25 0.00 0.00 0.00 175.76 175.96 3lfq n ASP 145 N -1.00 -4.75 -4.68 0.00 8.00 -1.26 -4.88 116.55 107.98 3lfq n ASP 145 Ca -0.08 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 3lfq n ASP 145 Cb 0.56 -3.00 -0.03 0.00 -0.02 0.00 0.00 41.12 38.63 3lfq n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3lfq s PHE 146 N -2.08 2.22 0.00 1.24 2.19 -1.26 -2.78 117.98 117.51 3lfq s PHE 146 Ca 0.00 0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.50 3lfq s PHE 146 Cb 0.00 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 3lfq s PHE 146 CO 0.00 -3.93 0.00 0.41 1.83 0.00 0.00 175.22 173.53 3lfq n GLY 147 N 4.06 1.43 0.22 13.12 0.00 -1.26 -4.95 105.19 117.82 3lfq n GLY 147 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3lfq n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3lfq h LEU 148 N 0.00 0.23 -0.94 0.99 4.07 -1.83 -3.00 115.31 114.82 3lfq h LEU 148 Ca 0.00 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 3lfq h LEU 148 Cb 0.00 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3lfq h LEU 148 CO 0.00 0.50 -0.36 0.00 -1.08 0.00 0.00 178.44 177.50 3lfq h ALA 149 N 1.52 1.11 -0.43 1.53 0.00 -1.79 -1.09 119.26 120.10 3lfq h ALA 149 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3lfq h ALA 149 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3lfq h ALA 149 CO 0.04 0.57 -0.08 -0.09 0.00 0.00 0.00 179.25 179.70 3lfq h ARG 150 N 0.27 0.82 -0.27 0.00 2.43 -1.81 0.22 114.38 116.04 3lfq h ARG 150 Ca 0.03 -0.30 -0.18 0.00 -0.81 0.00 0.00 59.98 58.72 3lfq h ARG 150 Cb 0.77 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3lfq h ARG 150 CO 0.06 0.92 -0.54 0.00 -1.51 0.00 0.00 179.97 178.90 3lfq h ALA 151 N 0.87 0.43 0.00 2.80 0.00 -1.43 -3.39 119.26 118.55 3lfq h ALA 151 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3lfq h ALA 151 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3lfq h ALA 151 CO 0.04 0.64 -0.56 1.19 0.00 0.00 0.00 179.25 180.56 3lfq n PHE 152 N -4.04 0.00 0.00 0.00 3.72 -0.43 -4.62 117.46 112.09 3lfq n PHE 152 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3lfq n PHE 152 Cb 0.62 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3lfq n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lfq n GLY 153 N 1.68 -2.11 3.55 1.37 0.00 0.79 -4.87 105.19 105.60 3lfq n GLY 153 Ca 0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3lfq n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lfq s VAL 154 N -2.76 5.24 0.83 1.61 -7.23 -1.26 -4.77 120.40 112.07 3lfq s VAL 154 Ca 0.00 -0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 3lfq s VAL 154 Cb 0.00 -3.72 0.10 0.00 0.56 0.00 0.00 36.38 33.32 3lfq s VAL 154 CO 0.00 0.02 1.20 -2.16 -0.31 0.00 0.00 175.10 173.85 3lfq s PRO 155 N 1.85 1.75 0.06 4.82 0.04 -1.26 -5.00 135.00 137.26 3lfq s PRO 155 Ca 0.09 0.04 -0.18 0.00 0.04 0.00 0.00 61.00 60.99 3lfq s PRO 155 Cb -0.17 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 3lfq s PRO 155 CO 0.11 -1.73 1.31 0.28 0.04 0.00 0.00 177.00 177.01 3lfq h VAL 156 N -1.16 1.35 -3.76 -0.36 2.07 -1.95 -3.44 116.25 108.99 3lfq h VAL 156 Ca -0.46 -1.58 -0.62 0.00 0.82 0.00 0.00 66.70 64.86 3lfq h VAL 156 Cb 1.32 1.93 -0.21 0.00 -1.52 0.00 0.00 31.29 32.81 3lfq h VAL 156 CO 0.62 0.48 -0.84 -0.13 0.02 0.00 0.00 177.57 177.72 3lfq s ARG 157 N -4.03 1.29 1.12 1.57 1.81 -1.26 -1.73 118.95 117.71 3lfq s ARG 157 Ca -0.13 -1.30 -0.19 0.00 -1.72 0.00 0.00 55.73 52.39 3lfq s ARG 157 Cb 0.06 -1.63 0.26 0.00 -0.45 0.00 0.00 34.95 33.20 3lfq s ARG 157 CO 0.81 0.37 1.21 0.95 -0.68 0.00 0.00 175.30 177.96 3lfq s THR 158 N -1.28 1.74 0.51 0.02 -4.23 0.49 -4.85 115.64 108.04 3lfq s THR 158 Ca 0.12 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.00 3lfq s THR 158 Cb -0.09 -2.71 0.40 0.00 1.34 0.00 0.00 72.50 71.44 3lfq s THR 158 CO 0.06 0.00 2.24 0.10 -0.54 0.00 0.00 174.62 176.48 3lfq h TYR 159 N -2.27 0.00 -0.02 3.99 -0.00 -1.70 -0.95 116.97 116.03 3lfq h TYR 159 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 3lfq h TYR 159 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3lfq h TYR 159 CO -1.99 0.02 -0.04 0.25 -0.00 0.00 0.00 178.16 176.40 3lfq n THR 160 N -3.31 0.00 -0.91 -0.90 -2.24 -1.26 -4.94 114.28 100.72 3lfq n THR 160 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3lfq n THR 160 Cb 0.14 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3lfq n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lfq n HIS 161 N 0.35 0.00 -2.02 4.78 8.25 -0.36 -5.04 115.22 121.17 3lfq n HIS 161 Ca 0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 3lfq n HIS 161 Cb 0.41 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3lfq n HIS 161 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3lfq s GLU 162 N -0.09 4.03 -0.00 -0.41 2.12 -1.26 -4.61 118.70 118.48 3lfq s GLU 162 Ca 0.00 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.26 3lfq s GLU 162 Cb 0.00 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 3lfq s GLU 162 CO 0.00 -0.47 1.37 0.08 -0.54 0.00 0.00 175.26 175.70 3lfq s VAL 163 N -1.22 3.78 0.00 3.70 1.01 -1.26 -0.38 120.40 126.03 3lfq s VAL 163 Ca 0.55 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 3lfq s VAL 163 Cb -0.40 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3lfq s VAL 163 CO 0.52 0.00 1.33 -0.69 0.00 0.00 0.00 175.10 176.25 3lfq s VAL 164 N 2.33 3.85 0.28 2.92 1.01 -0.71 -4.89 120.40 125.19 3lfq s VAL 164 Ca 0.63 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 3lfq s VAL 164 Cb -0.31 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 3lfq s VAL 164 CO 0.26 0.02 1.41 1.07 0.00 0.00 0.00 175.10 177.86 3lfq n THR 165 N 4.51 1.28 0.86 3.92 5.66 -1.26 -4.95 114.28 124.31 3lfq n THR 165 Ca 0.12 -0.32 0.09 0.00 -3.05 0.00 0.00 64.05 60.89 3lfq n THR 165 Cb 0.44 -1.60 -0.10 0.00 -1.55 0.00 0.00 70.33 67.52 3lfq n THR 165 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3lfq n LEU 166 N 1.73 0.91 -0.21 1.09 4.32 -1.26 -4.69 117.00 118.89 3lfq n LEU 166 Ca 0.09 -0.51 0.21 0.00 -0.02 0.00 0.00 56.01 55.78 3lfq n LEU 166 Cb 0.34 0.00 0.58 0.00 -1.62 0.00 0.00 43.42 42.72 3lfq n LEU 166 CO 0.63 0.22 1.23 -0.50 -1.22 0.00 0.00 177.39 177.75 3lfq h TRP 167 N 0.09 0.36 -0.34 -1.77 4.06 -1.82 -2.25 115.95 114.28 3lfq h TRP 167 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3lfq h TRP 167 Cb 0.44 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3lfq h TRP 167 CO 0.00 0.10 0.00 0.66 -3.56 0.00 0.00 178.44 175.64 3lfq n TYR 168 N -4.44 0.44 -2.31 0.49 4.01 -1.26 -4.56 117.16 109.54 3lfq n TYR 168 Ca 0.18 -0.36 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 3lfq n TYR 168 Cb 0.75 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.74 3lfq n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3lfq s ARG 169 N -1.07 4.35 0.51 -0.72 3.52 -0.85 -3.80 118.95 120.89 3lfq s ARG 169 Ca 0.27 1.89 -0.22 0.00 -0.13 0.00 0.00 55.73 57.54 3lfq s ARG 169 Cb 0.15 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 3lfq s ARG 169 CO 0.21 -0.42 1.29 0.00 -0.81 0.00 0.00 175.30 175.56 3lfq s ALA 170 N 1.64 2.88 0.40 6.12 0.00 -1.26 -4.92 121.76 126.62 3lfq s ALA 170 Ca 0.61 1.19 0.13 0.00 0.00 0.00 0.00 51.96 53.89 3lfq s ALA 170 Cb -0.31 -3.50 0.83 0.00 0.00 0.00 0.00 23.12 20.14 3lfq s ALA 170 CO 0.28 -1.11 1.90 -1.00 0.00 0.00 0.00 175.76 175.82 3lfq h PRO 171 N 1.69 0.04 -0.04 0.00 0.13 -1.95 -2.53 132.00 129.33 3lfq h PRO 171 Ca -0.50 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 3lfq h PRO 171 Cb 1.28 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3lfq h PRO 171 CO 0.58 0.31 -0.16 1.05 -0.23 0.00 0.00 178.00 179.55 3lfq h GLU 172 N 0.04 0.06 0.03 0.86 9.09 -1.93 0.58 114.58 123.31 3lfq h GLU 172 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 3lfq h GLU 172 Cb 0.50 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3lfq h GLU 172 CO 0.04 0.23 -0.01 0.82 0.05 0.00 0.00 179.01 180.13 3lfq h ILE 173 N 0.06 1.32 -0.27 -1.06 2.04 -1.78 -2.00 117.51 115.82 3lfq h ILE 173 Ca 0.01 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3lfq h ILE 173 Cb 0.33 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3lfq h ILE 173 CO 0.02 0.29 0.18 -0.07 0.00 0.00 0.00 178.15 178.58 3lfq h LEU 174 N -0.56 0.22 -0.63 1.44 3.38 -1.33 -2.31 115.31 115.52 3lfq h LEU 174 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3lfq h LEU 174 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3lfq h LEU 174 CO 0.01 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.87 3lfq n LEU 175 N -4.49 0.94 0.00 1.67 4.77 0.17 -4.86 117.00 115.19 3lfq n LEU 175 Ca 0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3lfq n LEU 175 Cb 0.16 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3lfq n LEU 175 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3lfq n GLY 176 N 0.96 0.65 3.77 -0.72 0.00 -0.87 -0.83 105.19 108.14 3lfq n GLY 176 Ca 0.14 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3lfq n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfq n LYS 178 N 0.46 0.62 -3.84 0.00 0.00 -1.26 -4.79 118.16 109.34 3lfq n LYS 178 Ca 0.02 0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 58.05 3lfq n LYS 178 Cb 0.44 -1.76 -0.13 0.00 -0.00 0.00 0.00 35.03 33.58 3lfq n LYS 178 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3lfq s TYR 179 N -3.32 3.39 0.04 5.58 2.02 -1.26 -5.09 117.35 118.71 3lfq s TYR 179 Ca -0.02 -2.03 -0.18 0.00 -0.37 0.00 0.00 57.07 54.47 3lfq s TYR 179 Cb 0.10 -2.54 -0.06 0.00 -0.40 0.00 0.00 41.96 39.06 3lfq s TYR 179 CO 0.82 -0.86 0.51 0.71 -1.57 0.00 0.00 175.55 175.16 3lfq s TYR 180 N 1.22 3.76 0.56 2.71 2.02 -1.26 -5.09 117.35 121.28 3lfq s TYR 180 Ca 0.00 1.16 0.08 0.00 -0.37 0.00 0.00 57.07 57.95 3lfq s TYR 180 Cb -0.21 -2.44 0.07 0.00 -0.40 0.00 0.00 41.96 38.98 3lfq s TYR 180 CO -0.02 0.57 0.65 -1.54 -1.57 0.00 0.00 175.55 173.65 3lfq s SER 181 N -0.96 4.94 0.60 2.29 1.04 -1.26 -5.00 113.70 115.34 3lfq s SER 181 Ca 0.27 -0.99 0.36 0.00 0.48 0.00 0.00 55.95 56.07 3lfq s SER 181 Cb -0.18 0.34 1.90 0.00 0.10 0.00 0.00 66.02 68.18 3lfq s SER 181 CO 0.17 -1.26 2.21 0.71 0.98 0.00 0.00 173.24 176.05 3lfq h THR 182 N 0.38 0.23 -0.20 2.02 1.35 -1.97 -2.81 112.91 111.92 3lfq h THR 182 Ca -0.32 -0.23 0.06 0.00 -0.55 0.00 0.00 66.41 65.37 3lfq h THR 182 Cb 1.29 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3lfq h THR 182 CO 0.47 0.03 0.23 0.00 -0.25 0.00 0.00 175.52 176.00 3lfq h ALA 183 N 1.97 1.80 -0.88 6.62 0.00 -1.94 -2.29 119.26 124.54 3lfq h ALA 183 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3lfq h ALA 183 Cb 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3lfq h ALA 183 CO 0.00 -0.33 0.53 -0.39 0.00 0.00 0.00 179.25 179.06 3lfq h VAL 184 N 0.00 1.24 -0.08 0.00 -1.51 -1.90 -2.16 116.25 111.84 3lfq h VAL 184 Ca 0.09 -0.53 -0.16 0.00 -1.23 0.00 0.00 66.70 64.87 3lfq h VAL 184 Cb 0.55 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 3lfq h VAL 184 CO -0.00 0.26 -0.66 0.44 -1.23 0.00 0.00 177.57 176.38 3lfq h ASP 185 N 1.21 0.39 -0.56 4.19 3.32 -1.66 -2.93 116.42 120.39 3lfq h ASP 185 Ca 0.32 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3lfq h ASP 185 Cb -0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3lfq h ASP 185 CO -0.06 0.94 0.26 0.40 -1.72 0.00 0.00 179.24 179.06 3lfq h ILE 186 N 0.24 1.21 0.27 0.35 1.08 -1.52 -1.78 117.51 117.35 3lfq h ILE 186 Ca -0.02 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3lfq h ILE 186 Cb 1.20 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3lfq h ILE 186 CO 0.11 0.24 -0.21 -0.25 -0.69 0.00 0.00 178.15 177.35 3lfq h TRP 187 N 0.76 -0.54 -0.55 1.37 2.91 -1.35 -1.74 115.95 116.81 3lfq h TRP 187 Ca 0.19 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.28 3lfq h TRP 187 Cb 0.14 0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.94 3lfq h TRP 187 CO 0.00 -0.31 0.23 0.77 -1.03 0.00 0.00 178.44 178.10 3lfq h SER 188 N -0.48 0.28 -0.35 2.65 0.02 -1.42 -1.67 113.55 112.58 3lfq h SER 188 Ca -0.02 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3lfq h SER 188 Cb 0.42 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3lfq h SER 188 CO -0.01 0.19 0.06 0.25 -1.14 0.00 0.00 176.83 176.18 3lfq h LEU 189 N 0.44 0.62 -0.61 5.07 5.85 -1.20 -1.69 115.31 123.79 3lfq h LEU 189 Ca 0.26 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3lfq h LEU 189 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3lfq h LEU 189 CO -0.23 0.65 0.14 1.23 -0.34 0.00 0.00 178.44 179.89 3lfq h GLY 190 N 0.89 1.06 1.01 3.75 0.00 -0.53 0.12 103.07 109.38 3lfq h GLY 190 Ca 0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3lfq h GLY 190 CO 0.00 0.63 0.53 0.00 0.00 0.00 0.00 176.54 177.70 3lfq h ILE 192 N 1.19 1.27 -0.24 0.00 2.04 -1.05 -2.47 117.51 118.25 3lfq h ILE 192 Ca 0.31 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3lfq h ILE 192 Cb -0.07 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3lfq h ILE 192 CO -0.06 0.38 0.07 0.15 0.00 0.00 0.00 178.15 178.69 3lfq h PHE 193 N 0.64 0.13 -0.90 1.37 3.57 -0.67 -1.86 116.94 119.22 3lfq h PHE 193 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3lfq h PHE 193 Cb 0.55 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3lfq h PHE 193 CO 0.04 0.05 0.56 0.00 -2.23 0.00 0.00 178.31 176.74 3lfq h ALA 194 N 1.16 1.15 -0.56 2.41 0.00 -1.21 -2.68 119.26 119.52 3lfq h ALA 194 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3lfq h ALA 194 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3lfq h ALA 194 CO -0.12 0.59 0.00 1.49 0.00 0.00 0.00 179.25 181.21 3lfq h GLU 195 N 1.24 0.97 -0.55 0.00 4.81 -1.15 -1.21 114.58 118.68 3lfq h GLU 195 Ca 0.33 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3lfq h GLU 195 Cb -0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3lfq h GLU 195 CO -0.06 0.95 0.08 0.52 -0.73 0.00 0.00 179.01 179.77 3lfq h MET 196 N 0.89 0.91 0.01 1.92 2.86 -1.10 -0.03 114.93 120.38 3lfq h MET 196 Ca 0.16 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3lfq h MET 196 Cb 0.52 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3lfq h MET 196 CO 0.03 0.89 -0.00 0.28 1.06 0.00 0.00 176.91 179.16 3lfq h VAL 197 N 0.80 1.28 0.00 -2.22 2.07 -1.33 -3.35 116.25 113.50 3lfq h VAL 197 Ca 0.16 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3lfq h VAL 197 Cb 0.42 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3lfq h VAL 197 CO 0.01 0.22 -0.77 0.71 0.02 0.00 0.00 177.57 177.76 3lfq h THR 198 N -0.38 0.00 -1.24 2.57 1.35 -1.24 -3.47 112.91 110.50 3lfq h THR 198 Ca -0.00 -0.99 -0.23 0.00 -0.55 0.00 0.00 66.41 64.63 3lfq h THR 198 Cb 0.37 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3lfq h THR 198 CO 0.00 0.00 -0.27 0.54 -0.25 0.00 0.00 175.52 175.55 3lfq n ARG 199 N -2.77 -0.88 -3.77 4.72 1.74 -0.03 -5.02 116.66 110.66 3lfq n ARG 199 Ca 0.01 0.69 -0.13 0.00 -0.77 0.00 0.00 57.85 57.65 3lfq n ARG 199 Cb 0.54 -4.77 -0.11 0.00 -1.02 0.00 0.00 32.46 27.10 3lfq n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3lfq s ARG 200 N -3.99 0.42 0.33 5.56 3.52 -1.23 -5.07 118.95 118.49 3lfq s ARG 200 Ca 0.00 0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 3lfq s ARG 200 Cb 0.00 0.20 -0.12 0.00 -1.56 0.00 0.00 34.95 33.47 3lfq s ARG 200 CO 0.00 -0.07 1.51 0.00 -0.81 0.00 0.00 175.30 175.93 3lfq n ALA 201 N 2.61 2.23 0.16 6.12 0.00 -1.26 -4.21 120.51 126.16 3lfq n ALA 201 Ca -0.15 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 3lfq n ALA 201 Cb 0.57 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 3lfq n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lfq h LEU 202 N 3.81 -0.36 -6.63 0.00 6.46 -1.92 -3.41 115.31 113.26 3lfq h LEU 202 Ca -0.48 -0.18 -0.60 0.00 -0.12 0.00 0.00 57.88 56.50 3lfq h LEU 202 Cb 1.24 0.09 -0.40 0.00 -0.73 0.00 0.00 40.66 40.86 3lfq h LEU 202 CO 0.71 0.04 -0.75 0.49 -0.62 0.00 0.00 178.44 178.31 3lfq n PHE 203 N -5.12 1.69 -1.66 1.25 3.72 -1.26 -5.03 117.46 111.05 3lfq n PHE 203 Ca -0.09 -3.91 -0.41 0.00 -0.05 0.00 0.00 57.45 52.99 3lfq n PHE 203 Cb 0.27 -0.32 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 3lfq n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3lfq n PRO 204 N 2.01 3.40 -2.03 -1.08 -0.04 -1.26 -4.38 135.00 131.62 3lfq n PRO 204 Ca 0.25 -2.62 -0.37 0.00 -0.04 0.00 0.00 63.50 60.71 3lfq n PRO 204 Cb 0.42 -3.01 0.02 0.00 -0.04 0.00 0.00 33.50 30.88 3lfq n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3lfq s GLY 205 N 2.32 2.82 -0.04 0.55 0.00 -1.26 -4.98 107.32 106.73 3lfq s GLY 205 Ca 0.55 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.44 3lfq s GLY 205 CO -0.07 1.58 1.06 2.09 0.00 0.00 0.00 173.10 177.77 3lfq n ASP 206 N -0.88 2.19 -3.54 1.64 5.75 -1.26 -4.63 116.55 115.81 3lfq n ASP 206 Ca 0.10 -2.32 -0.07 0.00 -0.01 0.00 0.00 54.79 52.49 3lfq n ASP 206 Cb 0.47 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 3lfq n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3lfq s SER 207 N -1.53 -0.28 0.20 -1.12 1.04 -1.26 -5.00 113.70 105.75 3lfq s SER 207 Ca 0.11 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 3lfq s SER 207 Cb 0.09 0.31 0.17 0.00 0.10 0.00 0.00 66.02 66.69 3lfq s SER 207 CO 0.02 -0.51 1.83 -0.33 0.98 0.00 0.00 173.24 175.22 3lfq h GLU 208 N 2.00 0.71 -0.33 4.02 5.08 -1.99 -0.03 114.58 124.03 3lfq h GLU 208 Ca -0.19 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3lfq h GLU 208 Cb 1.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3lfq h GLU 208 CO 0.28 0.47 -0.34 0.97 -1.00 0.00 0.00 179.01 179.39 3lfq h ILE 209 N 0.73 1.28 -0.71 3.13 6.09 -1.97 -1.91 117.51 124.15 3lfq h ILE 209 Ca 0.26 -1.49 -0.07 0.00 -1.37 0.00 0.00 64.86 62.19 3lfq h ILE 209 Cb 0.06 1.39 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 3lfq h ILE 209 CO -0.12 0.49 0.19 -0.78 -3.07 0.00 0.00 178.15 174.85 3lfq h ASP 210 N 0.62 1.07 -0.03 2.19 3.58 -1.86 -0.79 116.42 121.20 3lfq h ASP 210 Ca 0.06 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 3lfq h ASP 210 Cb 0.87 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 3lfq h ASP 210 CO 0.08 1.01 0.01 -0.61 -2.88 0.00 0.00 179.24 176.85 3lfq h GLN 211 N 1.07 0.05 -0.42 0.28 5.75 -0.89 -1.31 115.11 119.63 3lfq h GLN 211 Ca 0.22 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 3lfq h GLN 211 Cb 0.36 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3lfq h GLN 211 CO -0.00 0.22 0.23 1.25 -2.65 0.00 0.00 178.83 177.88 3lfq h LEU 212 N -0.13 0.53 -1.16 -2.39 5.85 -1.24 -2.35 115.31 114.43 3lfq h LEU 212 Ca 0.01 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 3lfq h LEU 212 Cb 0.19 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3lfq h LEU 212 CO -0.00 0.47 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.92 3lfq h PHE 213 N 0.55 0.00 -0.42 1.25 0.04 -1.11 -1.47 116.94 115.78 3lfq h PHE 213 Ca 0.15 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.78 3lfq h PHE 213 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3lfq h PHE 213 CO -0.02 0.39 -0.26 0.00 -0.60 0.00 0.00 178.31 177.82 3lfq h ARG 214 N 0.00 0.92 -0.13 1.51 3.08 -1.04 -0.17 114.38 118.55 3lfq h ARG 214 Ca -0.00 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3lfq h ARG 214 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3lfq h ARG 214 CO 0.05 1.09 0.06 0.82 -1.07 0.00 0.00 179.97 180.92 3lfq h ILE 215 N 0.75 1.12 -0.50 2.04 2.04 -1.16 -3.04 117.51 118.76 3lfq h ILE 215 Ca 0.09 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3lfq h ILE 215 Cb 0.84 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3lfq h ILE 215 CO 0.07 0.11 0.30 -0.26 0.00 0.00 0.00 178.15 178.36 3lfq h PHE 216 N 0.09 0.55 -0.85 1.37 -1.00 -1.18 -0.27 116.94 115.66 3lfq h PHE 216 Ca 0.05 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.90 3lfq h PHE 216 Cb 0.11 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 3lfq h PHE 216 CO -0.03 0.31 0.55 0.00 -1.61 0.00 0.00 178.31 177.53 3lfq h ARG 217 N 0.59 0.92 0.00 1.51 3.08 -0.95 0.17 114.38 119.70 3lfq h ARG 217 Ca 0.20 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3lfq h ARG 217 Cb 0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3lfq h ARG 217 CO -0.10 0.61 -0.47 1.15 -1.07 0.00 0.00 179.97 180.09 3lfq h THR 218 N 0.95 0.68 -0.00 2.04 2.02 -1.40 -3.41 112.91 113.79 3lfq h THR 218 Ca 0.36 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.89 3lfq h THR 218 Cb 0.20 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3lfq h THR 218 CO -0.13 0.23 -0.30 0.18 0.37 0.00 0.00 175.52 175.87 3lfq n LEU 219 N -4.60 0.49 0.00 2.58 4.32 -0.13 -0.78 117.00 118.88 3lfq n LEU 219 Ca -0.13 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 3lfq n LEU 219 Cb 0.37 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3lfq n LEU 219 CO 0.16 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 3lfq n GLY 220 N 1.44 0.23 3.68 -0.72 0.00 0.60 -4.50 105.19 105.91 3lfq n GLY 220 Ca 0.08 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3lfq n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lfq s THR 221 N -2.57 3.50 0.61 2.61 2.01 -0.57 -4.55 115.64 116.67 3lfq s THR 221 Ca 0.00 0.81 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 3lfq s THR 221 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3lfq s THR 221 CO 0.00 -0.03 1.14 -2.16 -0.69 0.00 0.00 174.62 172.88 3lfq s PRO 222 N 3.03 3.02 0.31 4.92 0.04 -1.26 -4.88 135.00 140.18 3lfq s PRO 222 Ca 0.69 1.57 0.07 0.00 0.04 0.00 0.00 61.00 63.37 3lfq s PRO 222 Cb -0.34 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3lfq s PRO 222 CO 0.29 -1.11 0.24 -0.40 0.04 0.00 0.00 177.00 176.06 3lfq n ASP 223 N -1.85 -0.37 0.27 6.66 5.68 -1.26 -4.99 116.55 120.69 3lfq n ASP 223 Ca 0.12 -3.01 0.18 0.00 -0.50 0.00 0.00 54.79 51.58 3lfq n ASP 223 Cb 0.51 1.45 0.92 0.00 -1.14 0.00 0.00 41.12 42.86 3lfq n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3lfq h GLU 224 N 0.00 0.00 0.36 0.11 4.39 -1.98 -0.48 114.58 116.97 3lfq h GLU 224 Ca -0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3lfq h GLU 224 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3lfq h GLU 224 CO 0.34 0.00 -0.17 0.28 -1.16 0.00 0.00 179.01 178.29 3lfq h VAL 225 N 0.00 0.44 0.00 3.13 2.07 -2.00 -3.29 116.25 116.60 3lfq h VAL 225 Ca 0.00 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.63 3lfq h VAL 225 Cb 0.15 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3lfq h VAL 225 CO 0.00 0.09 -0.98 -0.37 0.02 0.00 0.00 177.57 176.33 3lfq h VAL 226 N -0.97 1.36 -2.69 2.57 -1.51 -1.94 -3.42 116.25 109.65 3lfq h VAL 226 Ca -0.05 -2.99 -0.59 0.00 -1.23 0.00 0.00 66.70 61.84 3lfq h VAL 226 Cb 0.52 2.66 -0.39 0.00 -2.13 0.00 0.00 31.29 31.95 3lfq h VAL 226 CO 0.08 0.78 -0.83 0.86 -1.23 0.00 0.00 177.57 177.23 3lfq s TRP 227 N -2.77 1.21 0.12 5.19 -0.11 -0.20 -4.41 118.94 117.96 3lfq s TRP 227 Ca 0.01 -1.99 -0.32 0.00 1.22 0.00 0.00 56.10 55.01 3lfq s TRP 227 Cb 0.09 -1.24 -0.12 0.00 -1.50 0.00 0.00 33.47 30.70 3lfq s TRP 227 CO 0.80 -0.81 1.77 -2.30 -4.62 0.00 0.00 176.95 171.79 3lfq n PRO 228 N 3.68 2.56 0.00 5.86 -0.02 -1.24 -2.00 135.00 143.84 3lfq n PRO 228 Ca 0.14 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3lfq n PRO 228 Cb 0.38 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3lfq n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lfq n GLY 229 N 4.02 0.84 0.28 -1.23 0.00 -1.26 -4.99 105.19 102.85 3lfq n GLY 229 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3lfq n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3lfq h VAL 230 N 0.00 0.68 0.00 1.61 3.04 -1.72 -1.23 116.25 118.62 3lfq h VAL 230 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3lfq h VAL 230 Cb 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 3lfq h VAL 230 CO 0.00 0.09 0.00 0.71 -1.01 0.00 0.00 177.57 177.36 3lfq h THR 231 N 0.49 0.00 -0.01 3.17 1.35 -1.93 -2.46 112.91 113.53 3lfq h THR 231 Ca 0.43 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3lfq h THR 231 Cb 0.63 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3lfq h THR 231 CO -0.39 0.00 -0.41 -1.20 -0.25 0.00 0.00 175.52 173.27 3lfq n SER 232 N -2.37 1.63 -4.77 5.36 7.64 -0.47 -4.90 113.62 115.74 3lfq n SER 232 Ca 0.01 -1.27 -0.37 0.00 1.01 0.00 0.00 58.87 58.24 3lfq n SER 232 Cb 0.16 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3lfq n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3lfq s MET 233 N -2.50 3.59 0.21 1.43 -1.94 -0.93 -4.97 119.30 114.18 3lfq s MET 233 Ca 0.20 1.89 -0.15 0.00 -1.71 0.00 0.00 55.69 55.92 3lfq s MET 233 Cb 0.18 -2.36 0.21 0.00 2.01 0.00 0.00 34.83 34.88 3lfq s MET 233 CO 0.56 -0.73 1.62 -1.35 -0.01 0.00 0.00 175.02 175.11 3lfq h PRO 234 N 1.88 -0.04 -0.51 2.03 0.11 -1.80 -2.56 132.00 131.11 3lfq h PRO 234 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3lfq h PRO 234 Cb 1.26 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3lfq h PRO 234 CO 0.59 -0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3lfq n ASP 235 N -5.44 2.80 -4.74 -2.05 8.00 -0.01 -4.93 116.55 110.17 3lfq n ASP 235 Ca 0.07 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 3lfq n ASP 235 Cb 0.34 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3lfq n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3lfq s TYR 236 N -1.32 3.50 -0.08 1.24 5.04 -0.97 -4.96 117.35 119.80 3lfq s TYR 236 Ca 0.35 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.54 3lfq s TYR 236 Cb 0.18 -3.36 0.01 0.00 0.35 0.00 0.00 41.96 39.14 3lfq s TYR 236 CO 0.24 -0.91 -0.17 0.15 -1.34 0.00 0.00 175.55 173.53 3lfq s LYS 237 N -0.49 2.24 0.60 4.97 -0.14 -1.26 -4.94 119.74 120.72 3lfq s LYS 237 Ca 0.50 -0.60 0.40 0.00 -1.36 0.00 0.00 55.97 54.92 3lfq s LYS 237 Cb -0.31 -1.77 2.15 0.00 -1.68 0.00 0.00 37.83 36.22 3lfq s LYS 237 CO 0.37 0.08 2.23 -1.35 -0.76 0.00 0.00 175.35 175.92 3lfq h PRO 238 N 6.89 0.00 0.00 -1.68 0.11 -1.96 -2.01 132.00 133.35 3lfq h PRO 238 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3lfq h PRO 238 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3lfq h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 3lfq n SER 239 N -2.95 0.00 -4.69 -2.05 3.41 -1.26 -4.88 113.62 101.21 3lfq n SER 239 Ca -0.02 -0.17 -0.44 0.00 -0.26 0.00 0.00 58.87 57.97 3lfq n SER 239 Cb 0.09 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 3lfq n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3lfq n PHE 240 N -1.23 2.44 -1.73 7.33 3.72 -0.76 -4.94 117.46 122.29 3lfq n PHE 240 Ca 0.12 0.21 -0.38 0.00 -0.05 0.00 0.00 57.45 57.35 3lfq n PHE 240 Cb 0.16 -2.58 0.05 0.00 -0.94 0.00 0.00 39.48 36.17 3lfq n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3lfq n PRO 241 N 3.37 1.51 -3.33 -1.08 -0.02 -1.26 -4.95 135.00 129.24 3lfq n PRO 241 Ca 0.16 0.56 -0.46 0.00 -2.02 0.00 0.00 63.50 61.74 3lfq n PRO 241 Cb 0.31 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 3lfq n PRO 241 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3lfq s LYS 242 N -2.96 3.18 0.10 -0.52 2.20 -1.26 -4.82 119.74 115.66 3lfq s LYS 242 Ca 0.74 -1.98 -0.06 0.00 -0.36 0.00 0.00 55.97 54.30 3lfq s LYS 242 Cb -0.41 -4.32 -0.05 0.00 -1.51 0.00 0.00 37.83 31.53 3lfq s LYS 242 CO 0.47 -1.31 0.36 -1.58 -0.36 0.00 0.00 175.35 172.93 3lfq s TRP 243 N 1.07 3.52 0.27 4.03 0.51 -1.26 -4.95 118.94 122.14 3lfq s TRP 243 Ca 0.08 0.61 -0.18 0.00 -2.12 0.00 0.00 56.10 54.49 3lfq s TRP 243 Cb -0.23 -2.03 -0.09 0.00 -0.81 0.00 0.00 33.47 30.31 3lfq s TRP 243 CO -0.01 0.49 0.74 0.00 -0.51 0.00 0.00 176.95 177.66 3lfq s ALA 244 N -1.53 3.36 0.13 0.98 0.00 -1.26 -1.52 121.76 121.92 3lfq s ALA 244 Ca 0.36 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 3lfq s ALA 244 Cb -0.13 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 3lfq s ALA 244 CO 0.22 0.32 1.28 0.50 0.00 0.00 0.00 175.76 178.07 3lfq s ARG 245 N -2.43 4.40 0.46 0.00 3.52 -1.26 -4.18 118.95 119.46 3lfq s ARG 245 Ca 0.48 1.94 -0.13 0.00 -0.13 0.00 0.00 55.73 57.89 3lfq s ARG 245 Cb -0.14 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 3lfq s ARG 245 CO 0.19 -0.27 0.87 -0.65 -0.81 0.00 0.00 175.30 174.63 3lfq s GLN 246 N 0.55 3.85 0.08 5.12 -1.52 0.04 -4.91 119.66 122.87 3lfq s GLN 246 Ca 0.59 0.68 -0.31 0.00 -1.95 0.00 0.00 55.36 54.37 3lfq s GLN 246 Cb -0.34 -2.27 -0.06 0.00 -0.22 0.00 0.00 33.01 30.12 3lfq s GLN 246 CO 0.33 -0.15 1.24 0.34 -0.25 0.00 0.00 175.29 176.80 3lfq s ASP 247 N -3.15 7.03 0.56 5.90 -1.08 -1.26 -4.89 116.67 119.78 3lfq s ASP 247 Ca 0.55 2.10 0.26 0.00 -0.52 0.00 0.00 52.55 54.93 3lfq s ASP 247 Cb -0.10 -2.58 1.50 0.00 -1.46 0.00 0.00 42.92 40.27 3lfq s ASP 247 CO 0.32 -0.50 2.04 -0.26 0.52 0.00 0.00 175.17 177.29 3lfq h PHE 248 N 6.68 0.00 0.00 -5.34 -1.00 -1.96 -2.12 116.94 113.20 3lfq h PHE 248 Ca -0.42 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.35 3lfq h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 3lfq h PHE 248 CO 0.66 0.00 -0.07 0.66 -1.61 0.00 0.00 178.31 177.95 3lfq h SER 249 N 0.00 0.00 0.98 2.17 4.64 -1.95 -1.80 113.55 117.59 3lfq h SER 249 Ca 0.16 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3lfq h SER 249 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3lfq h SER 249 CO -0.00 0.07 -1.09 0.50 -0.87 0.00 0.00 176.83 175.44 3lfq h LYS 250 N 0.00 0.00 0.54 4.77 3.64 -1.78 -3.32 116.57 120.42 3lfq h LYS 250 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3lfq h LYS 250 Cb 0.16 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3lfq h LYS 250 CO 0.01 0.37 -0.26 0.28 -2.27 0.00 0.00 179.45 177.58 3lfq h VAL 251 N 0.00 0.28 -2.14 2.00 2.07 -1.33 -3.39 116.25 113.73 3lfq h VAL 251 Ca -0.10 -0.42 -0.56 0.00 0.82 0.00 0.00 66.70 66.44 3lfq h VAL 251 Cb 1.51 0.39 -0.42 0.00 -1.52 0.00 0.00 31.29 31.25 3lfq h VAL 251 CO 0.05 0.04 -0.78 1.33 0.02 0.00 0.00 177.57 178.24 3lfq n VAL 252 N -5.29 2.29 -2.52 2.57 0.24 -1.13 -5.03 118.33 109.46 3lfq n VAL 252 Ca -0.11 -5.27 -0.37 0.00 -2.04 0.00 0.00 64.34 56.55 3lfq n VAL 252 Cb 0.32 -1.10 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 3lfq n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3lfq s PRO 253 N -3.25 4.24 -0.56 7.34 0.04 -1.25 -1.82 135.00 139.74 3lfq s PRO 253 Ca 0.46 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.10 3lfq s PRO 253 Cb 0.31 -2.66 0.44 0.00 0.04 0.00 0.00 34.50 32.63 3lfq s PRO 253 CO -0.13 -0.09 1.74 -0.35 0.04 0.00 0.00 177.00 178.21 3lfq n PRO 254 N 0.16 3.01 -1.75 0.56 -0.04 -1.26 -4.78 135.00 130.90 3lfq n PRO 254 Ca 0.04 -3.64 -0.42 0.00 -0.04 0.00 0.00 63.50 59.45 3lfq n PRO 254 Cb 0.49 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.65 3lfq n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3lfq n LEU 255 N -0.80 4.43 -4.59 1.53 7.94 -0.76 -5.01 117.00 119.75 3lfq n LEU 255 Ca 0.55 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 56.32 3lfq n LEU 255 Cb 0.71 -1.60 0.21 0.00 0.53 0.00 0.00 43.42 43.27 3lfq n LEU 255 CO 0.63 0.18 0.58 1.51 -1.11 0.00 0.00 177.39 179.18 3lfq s ASP 256 N 0.50 1.81 0.36 1.96 1.47 -1.26 -4.72 116.67 116.79 3lfq s ASP 256 Ca 0.64 1.32 0.04 0.00 1.18 0.00 0.00 52.55 55.73 3lfq s ASP 256 Cb -0.49 -2.05 0.71 0.00 -0.34 0.00 0.00 42.92 40.75 3lfq s ASP 256 CO 0.49 -3.66 1.99 -0.08 0.68 0.00 0.00 175.17 174.60 3lfq h GLU 257 N -2.25 0.76 -0.50 2.11 4.57 -1.98 -1.09 114.58 116.19 3lfq h GLU 257 Ca -0.58 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.52 3lfq h GLU 257 Cb 1.33 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 3lfq h GLU 257 CO 0.54 0.50 0.18 -0.44 -1.18 0.00 0.00 179.01 178.61 3lfq h ASP 258 N 0.78 0.72 -0.41 1.04 3.32 -1.98 -0.27 116.42 119.62 3lfq h ASP 258 Ca 0.26 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3lfq h ASP 258 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3lfq h ASP 258 CO -0.07 0.71 0.07 1.23 -1.72 0.00 0.00 179.24 179.47 3lfq h GLY 259 N 0.68 0.72 1.12 2.75 0.00 -1.83 -2.16 103.07 104.34 3lfq h GLY 259 Ca 0.16 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3lfq h GLY 259 CO -0.01 0.44 0.15 3.21 0.00 0.00 0.00 176.54 180.33 3lfq h ARG 260 N 0.52 1.09 -0.30 4.80 3.08 -1.08 -0.75 114.38 121.74 3lfq h ARG 260 Ca 0.12 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3lfq h ARG 260 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3lfq h ARG 260 CO 0.01 0.97 0.12 1.03 -1.07 0.00 0.00 179.97 181.03 3lfq h SER 261 N 1.03 0.42 -0.10 7.04 0.87 -1.00 -1.24 113.55 120.56 3lfq h SER 261 Ca 0.21 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3lfq h SER 261 Cb 0.38 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3lfq h SER 261 CO 0.00 0.47 0.03 0.25 -0.53 0.00 0.00 176.83 177.05 3lfq h LEU 262 N 0.34 0.15 -0.82 2.23 5.85 -1.23 -2.77 115.31 119.06 3lfq h LEU 262 Ca 0.10 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3lfq h LEU 262 Cb 0.18 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3lfq h LEU 262 CO -0.01 0.31 0.50 0.25 -0.34 0.00 0.00 178.44 179.15 3lfq h LEU 263 N -0.02 0.76 -1.09 2.25 5.85 -1.08 -1.93 115.31 120.05 3lfq h LEU 263 Ca 0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3lfq h LEU 263 Cb 0.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3lfq h LEU 263 CO -0.00 0.48 0.52 0.77 -0.34 0.00 0.00 178.44 179.87 3lfq h SER 264 N 0.89 1.01 0.24 1.25 4.64 -1.14 -2.10 113.55 118.35 3lfq h SER 264 Ca 0.37 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 3lfq h SER 264 Cb 0.22 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3lfq h SER 264 CO -0.19 0.76 -0.50 1.56 -0.87 0.00 0.00 176.83 177.59 3lfq h GLN 265 N 1.16 0.30 0.00 4.77 4.20 -1.13 -2.94 115.11 121.47 3lfq h GLN 265 Ca 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3lfq h GLN 265 Cb -0.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3lfq h GLN 265 CO -0.06 0.73 -0.13 0.52 -0.67 0.00 0.00 178.83 179.23 3lfq h MET 266 N 0.24 0.00 -0.43 1.46 2.86 -1.03 -2.39 114.93 115.63 3lfq h MET 266 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3lfq h MET 266 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3lfq h MET 266 CO 0.08 0.13 0.00 1.28 1.06 0.00 0.00 176.91 179.46 3lfq n LEU 267 N -3.18 4.84 -4.75 1.22 4.32 -0.82 -3.87 117.00 114.77 3lfq n LEU 267 Ca 0.02 -2.94 -0.41 0.00 -0.02 0.00 0.00 56.01 52.66 3lfq n LEU 267 Cb 0.48 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 41.64 3lfq n LEU 267 CO 0.33 0.66 1.08 -1.00 -1.22 0.00 0.00 177.39 177.24 3lfq s HIS 268 N -2.73 3.01 0.11 -1.77 3.76 -1.14 -4.94 115.29 111.58 3lfq s HIS 268 Ca 0.49 1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 56.31 3lfq s HIS 268 Cb 0.38 -3.80 -0.07 0.00 1.11 0.00 0.00 32.58 30.20 3lfq s HIS 268 CO 0.13 -2.51 1.69 1.88 -0.85 0.00 0.00 174.74 175.08 3lfq h TYR 269 N 4.65 0.30 -2.87 1.40 0.05 -1.92 -3.42 116.97 115.16 3lfq h TYR 269 Ca -0.47 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.74 3lfq h TYR 269 Cb 1.22 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 3lfq h TYR 269 CO 0.59 0.29 1.07 0.34 -1.05 0.00 0.00 178.16 179.40 3lfq s ASP 270 N -5.53 6.51 0.63 3.88 -1.08 -1.26 -4.86 116.67 114.95 3lfq s ASP 270 Ca -0.13 1.55 0.35 0.00 -0.52 0.00 0.00 52.55 53.79 3lfq s ASP 270 Cb 0.08 -2.53 1.99 0.00 -1.46 0.00 0.00 42.92 40.99 3lfq s ASP 270 CO 0.70 -1.16 2.22 -0.65 0.52 0.00 0.00 175.17 176.80 3lfq h PRO 271 N 10.13 0.00 0.00 4.34 0.11 -1.95 -0.89 132.00 143.74 3lfq h PRO 271 Ca -0.31 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 3lfq h PRO 271 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3lfq h PRO 271 CO 1.01 0.00 -0.47 -0.91 -0.21 0.00 0.00 178.00 177.42 3lfq h ASN 272 N 0.00 0.00 0.47 -2.05 4.21 -1.96 -3.29 115.58 112.96 3lfq h ASN 272 Ca 0.02 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.23 3lfq h ASN 272 Cb 0.20 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.36 3lfq h ASN 272 CO -0.00 0.47 -1.72 0.11 -1.29 0.00 0.00 177.43 175.00 3lfq h LYS 273 N 0.00 0.03 -6.46 0.81 1.57 -1.59 -3.48 116.57 107.45 3lfq h LYS 273 Ca -0.00 -0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 58.13 3lfq h LYS 273 Cb 1.30 0.02 0.06 0.00 0.08 0.00 0.00 32.23 33.68 3lfq h LYS 273 CO 0.06 0.58 0.74 -2.13 -0.57 0.00 0.00 179.45 178.13 3lfq n ARG 274 N -3.10 1.97 -1.68 3.15 0.63 -0.61 -4.91 116.66 112.11 3lfq n ARG 274 Ca -0.18 0.71 -0.42 0.00 -0.92 0.00 0.00 57.85 57.04 3lfq n ARG 274 Cb 1.05 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3lfq n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3lfq n ILE 275 N 3.28 2.28 -2.13 5.15 3.06 -0.90 -5.01 119.36 125.09 3lfq n ILE 275 Ca 0.17 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.63 3lfq n ILE 275 Cb 0.27 -1.45 0.02 0.00 0.54 0.00 0.00 39.64 39.02 3lfq n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3lfq s SER 276 N -0.49 5.90 0.27 9.51 1.04 -1.26 -4.89 113.70 123.79 3lfq s SER 276 Ca 0.59 1.10 -0.04 0.00 0.48 0.00 0.00 55.95 58.08 3lfq s SER 276 Cb -0.55 -2.13 0.35 0.00 0.10 0.00 0.00 66.02 63.78 3lfq s SER 276 CO 0.60 -0.97 1.92 0.00 0.98 0.00 0.00 173.24 175.76 3lfq h ALA 277 N -0.27 1.31 -0.18 5.32 0.00 -1.94 -0.93 119.26 122.57 3lfq h ALA 277 Ca -0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3lfq h ALA 277 Cb 1.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3lfq h ALA 277 CO 0.62 0.60 0.11 0.87 0.00 0.00 0.00 179.25 181.45 3lfq h LYS 278 N 1.18 0.24 -0.11 0.00 1.57 -1.92 -2.57 116.57 114.96 3lfq h LYS 278 Ca 0.31 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3lfq h LYS 278 Cb -0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3lfq h LYS 278 CO -0.06 0.20 -0.52 0.00 -0.57 0.00 0.00 179.45 178.50 3lfq h ALA 279 N 1.03 0.90 -0.89 3.86 0.00 -1.90 -3.13 119.26 119.13 3lfq h ALA 279 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3lfq h ALA 279 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3lfq h ALA 279 CO -0.01 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.49 3lfq h ALA 280 N 1.21 1.35 0.00 0.00 0.00 -0.98 -2.16 119.26 118.68 3lfq h ALA 280 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3lfq h ALA 280 Cb 1.00 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3lfq h ALA 280 CO 0.08 0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 179.86 3lfq h LEU 281 N 1.21 0.00 -0.29 0.00 3.38 -1.40 -1.57 115.31 116.64 3lfq h LEU 281 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3lfq h LEU 281 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3lfq h LEU 281 CO -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.15 3lfq n ALA 282 N -2.38 3.18 -1.78 1.53 0.00 -0.82 -4.85 120.51 115.40 3lfq n ALA 282 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3lfq n ALA 282 Cb 0.09 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3lfq n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3lfq s HIS 283 N -2.68 2.61 0.65 0.00 5.04 -0.59 -4.89 115.29 115.43 3lfq s HIS 283 Ca 0.20 1.09 0.26 0.00 -1.54 0.00 0.00 55.06 55.07 3lfq s HIS 283 Cb 0.19 -4.04 1.38 0.00 0.04 0.00 0.00 32.58 30.14 3lfq s HIS 283 CO 0.58 -3.14 1.78 -1.35 -2.34 0.00 0.00 174.74 170.27 3lfq h PRO 284 N 3.35 0.00 -0.44 2.88 0.11 -1.93 -0.68 132.00 135.29 3lfq h PRO 284 Ca -0.50 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.70 3lfq h PRO 284 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3lfq h PRO 284 CO 0.67 0.00 0.30 0.35 -0.21 0.00 0.00 178.00 179.11 3lfq h PHE 285 N 0.00 0.20 -0.08 0.65 3.57 -1.90 -2.14 116.94 117.24 3lfq h PHE 285 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3lfq h PHE 285 Cb 0.99 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3lfq h PHE 285 CO 0.00 0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.37 3lfq n PHE 286 N -4.46 0.09 -0.36 0.41 3.72 -0.26 -4.36 117.46 112.24 3lfq n PHE 286 Ca 0.07 -0.05 0.03 0.00 -0.05 0.00 0.00 57.45 57.45 3lfq n PHE 286 Cb 0.37 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.10 3lfq n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3lfq h GLN 287 N 1.46 1.09 -0.55 -1.08 5.75 -1.55 -2.82 115.11 117.41 3lfq h GLN 287 Ca 0.00 -0.07 -0.17 0.00 -0.15 0.00 0.00 58.65 58.27 3lfq h GLN 287 Cb 0.32 -0.25 -0.10 0.00 1.07 0.00 0.00 27.48 28.52 3lfq h GLN 287 CO 0.00 0.72 0.15 -0.40 -2.65 0.00 0.00 178.83 176.65 3lfq n ASP 288 N -4.54 4.06 -4.78 -0.69 5.75 -1.26 -5.03 116.55 110.07 3lfq n ASP 288 Ca 0.16 -3.31 -0.41 0.00 -0.01 0.00 0.00 54.79 51.23 3lfq n ASP 288 Cb 0.22 -0.68 -0.00 0.00 -1.03 0.00 0.00 41.12 39.63 3lfq n ASP 288 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3lfq s VAL 289 N -3.02 2.21 0.37 2.12 1.01 -1.07 -5.03 120.40 116.99 3lfq s VAL 289 Ca 0.50 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.73 3lfq s VAL 289 Cb 0.41 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3lfq s VAL 289 CO 0.09 0.05 0.18 0.35 0.00 0.00 0.00 175.10 175.77 3lfq n THR 290 N 0.47 0.00 -3.69 3.92 -2.24 -1.26 -5.11 114.28 106.37 3lfq n THR 290 Ca 0.01 -2.31 -0.27 0.00 -2.27 0.00 0.00 64.05 59.21 3lfq n THR 290 Cb 0.40 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 3lfq n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3lfq n LYS 291 N -0.81 1.58 -1.70 -0.78 4.81 -1.26 -4.50 118.16 115.50 3lfq n LYS 291 Ca -0.02 -4.21 -0.30 0.00 -0.87 0.00 0.00 58.31 52.91 3lfq n LYS 291 Cb 0.59 -2.11 0.08 0.00 0.02 0.00 0.00 35.03 33.60 3lfq n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3lfq s PRO 292 N -1.34 2.27 -0.03 1.64 0.04 -1.26 -4.98 135.00 131.34 3lfq s PRO 292 Ca 0.29 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 3lfq s PRO 292 Cb 0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3lfq s PRO 292 CO -0.15 -1.46 0.05 0.14 0.04 0.00 0.00 177.00 175.62 3lfq s VAL 293 N -3.27 4.54 0.63 -0.36 -7.23 -1.26 -4.46 120.40 108.99 3lfq s VAL 293 Ca 0.60 -0.38 -0.08 0.00 -1.81 0.00 0.00 61.98 60.30 3lfq s VAL 293 Cb -0.13 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.79 3lfq s VAL 293 CO 0.53 0.43 0.98 -2.16 -0.31 0.00 0.00 175.10 174.57 3lfq s PRO 294 N -1.46 2.98 -1.17 4.82 0.04 -1.26 -4.98 135.00 133.97 3lfq s PRO 294 Ca 0.19 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 3lfq s PRO 294 Cb -0.12 -2.16 0.19 0.00 0.04 0.00 0.00 34.50 32.45 3lfq s PRO 294 CO 0.10 -0.80 2.21 -2.39 0.04 0.00 0.00 177.00 176.17 3lfq n HIS 295 N -2.75 2.62 -2.82 0.56 1.44 -1.26 -4.97 115.22 108.04 3lfq n HIS 295 Ca 0.05 -2.68 -0.41 0.00 -2.01 0.00 0.00 57.72 52.68 3lfq n HIS 295 Cb 0.57 -1.59 -0.05 0.00 0.12 0.00 0.00 29.99 29.05 3lfq n HIS 295 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 3lfq s LEU 296 N -2.91 4.48 -0.29 2.39 2.34 -1.26 -5.04 118.68 118.39 3lfq s LEU 296 Ca 0.49 1.67 -0.06 0.00 0.06 0.00 0.00 54.13 56.30 3lfq s LEU 296 Cb 0.20 -3.46 0.01 0.00 -0.56 0.00 0.00 46.19 42.38 3lfq s LEU 296 CO -0.12 -0.04 0.06 -0.60 -1.06 0.00 0.00 176.35 174.59 3lfq s ARG 297 N -0.02 3.07 0.00 1.48 6.06 -1.26 -5.06 118.95 123.22 3lfq s ARG 297 Ca 0.44 -0.86 0.24 0.00 -2.50 0.00 0.00 55.73 53.05 3lfq s ARG 297 Cb -0.22 -3.30 0.28 0.00 0.06 0.00 0.00 34.95 31.77 3lfq s ARG 297 CO 0.27 -0.42 1.31 1.28 -2.50 0.00 0.00 175.30 175.24