#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufg s SER 2 N 0.00 -0.05 -0.08 1.61 0.15 -1.26 -5.19 113.70 108.88 1ufg s SER 2 Ca 0.00 0.06 -0.32 0.00 0.70 0.00 0.00 55.95 56.39 1ufg s SER 2 Cb 0.00 0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.50 1ufg s SER 2 CO 0.00 -0.04 1.40 -0.94 1.20 0.00 0.00 173.24 174.86 1ufg s SER 3 N -0.86 -0.02 0.00 5.45 1.04 -1.26 -5.19 113.70 112.87 1ufg s SER 3 Ca 0.08 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ufg s SER 3 Cb -0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1ufg s SER 3 CO -0.09 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1ufg n GLY 4 N -0.49 3.76 0.49 7.32 0.00 -1.26 -5.11 105.19 109.90 1ufg n GLY 4 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ufg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ufg n SER 5 N 0.00 -0.86 -1.22 1.61 3.41 -1.26 -5.17 113.62 110.13 1ufg n SER 5 Ca 0.00 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.29 1ufg n SER 5 Cb 0.00 1.14 -0.05 0.00 -0.26 0.00 0.00 64.21 65.04 1ufg n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ufg n SER 6 N -2.97 -7.31 0.00 4.04 3.41 -1.26 -5.00 113.62 104.53 1ufg n SER 6 Ca 0.00 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1ufg n SER 6 Cb 0.00 -3.84 0.00 0.00 -0.26 0.00 0.00 64.21 60.11 1ufg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufg n GLY 7 N -3.91 0.72 2.33 5.00 0.00 -1.26 -5.02 105.19 103.05 1ufg n GLY 7 Ca -0.02 -1.26 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 1ufg n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ufg n GLN 8 N 0.00 -0.76 -3.52 1.61 0.00 -1.26 -5.08 117.38 108.36 1ufg n GLN 8 Ca 0.00 1.07 -0.10 0.00 -0.00 0.00 0.00 57.00 57.97 1ufg n GLN 8 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 30.24 26.40 1ufg n GLN 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ufg s SER 9 N -2.48 -0.41 -0.27 1.69 1.04 -1.26 -5.18 113.70 106.83 1ufg s SER 9 Ca 0.01 0.21 -0.33 0.00 0.48 0.00 0.00 55.95 56.32 1ufg s SER 9 Cb -0.00 0.39 0.17 0.00 0.10 0.00 0.00 66.02 66.68 1ufg s SER 9 CO 0.41 -0.55 1.34 0.00 0.98 0.00 0.00 173.24 175.41 1ufg s GLN 10 N -2.29 0.10 -0.01 4.02 -2.07 -1.26 -5.19 119.66 112.96 1ufg s GLN 10 Ca 0.01 -0.00 -0.16 0.00 -1.82 0.00 0.00 55.36 53.38 1ufg s GLN 10 Cb -0.01 0.05 0.05 0.00 -1.09 0.00 0.00 33.01 32.01 1ufg s GLN 10 CO -0.04 -0.04 0.73 0.41 -1.32 0.00 0.00 175.29 175.04 1ufg n GLY 11 N 0.29 0.42 0.00 2.60 0.00 -1.26 -5.19 105.19 102.05 1ufg n GLY 11 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ufg n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 12 N -0.53 1.08 0.00 -0.02 0.00 -1.26 -5.18 105.19 99.28 1ufg n GLY 12 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1ufg n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 13 N -1.81 2.85 0.41 -0.02 0.00 -1.26 -5.11 105.19 100.25 1ufg n GLY 13 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1ufg n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufg n SER 14 N 0.00 -0.61 -3.01 1.61 2.88 -1.26 -5.09 113.62 108.15 1ufg n SER 14 Ca 0.00 0.43 -0.13 0.00 -1.33 0.00 0.00 58.87 57.83 1ufg n SER 14 Cb 0.00 0.88 0.01 0.00 -0.75 0.00 0.00 64.21 64.36 1ufg n SER 14 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ufg n VAL 15 N -2.71 -9.60 -3.39 2.46 0.31 -1.26 -5.04 118.33 99.10 1ufg n VAL 15 Ca 0.00 0.64 0.02 0.00 -0.01 0.00 0.00 64.34 64.99 1ufg n VAL 15 Cb 0.00 -6.52 -0.04 0.00 -0.91 0.00 0.00 33.84 26.38 1ufg n VAL 15 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ufg s THR 16 N -2.44 -0.59 -0.30 2.52 -1.32 -1.26 -5.15 115.64 107.10 1ufg s THR 16 Ca 0.25 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.56 1ufg s THR 16 Cb -0.06 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.11 1ufg s THR 16 CO 0.79 0.00 1.16 -0.75 -2.21 0.00 0.00 174.62 173.61 1ufg s LYS 17 N 2.60 0.15 0.00 7.08 2.20 -1.26 -5.09 119.74 125.42 1ufg s LYS 17 Ca -0.01 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1ufg s LYS 17 Cb -0.08 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1ufg s LYS 17 CO -0.17 -0.05 0.00 1.63 -0.36 0.00 0.00 175.35 176.40 1ufg n LYS 18 N 4.60 0.00 -3.68 4.03 4.76 -1.26 -5.15 118.16 121.46 1ufg n LYS 18 Ca -0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 1ufg n LYS 18 Cb 0.54 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.60 1ufg n LYS 18 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ufg s ARG 19 N 0.00 0.16 0.35 1.97 6.06 -1.26 -5.15 118.95 121.08 1ufg s ARG 19 Ca 0.00 0.69 -0.12 0.00 -2.50 0.00 0.00 55.73 53.79 1ufg s ARG 19 Cb 0.00 -0.06 0.03 0.00 0.06 0.00 0.00 34.95 34.98 1ufg s ARG 19 CO 0.00 -0.25 0.66 0.15 -2.50 0.00 0.00 175.30 173.36 1ufg s LYS 20 N 2.09 2.02 -0.35 5.12 1.02 -1.26 -5.10 119.74 123.27 1ufg s LYS 20 Ca -0.02 -1.46 0.03 0.00 0.02 0.00 0.00 55.97 54.54 1ufg s LYS 20 Cb -0.12 0.56 0.31 0.00 -0.52 0.00 0.00 37.83 38.06 1ufg s LYS 20 CO -0.08 -0.90 1.31 1.47 -0.92 0.00 0.00 175.35 176.22 1ufg n LEU 21 N -0.52 -1.42 -3.16 3.17 -0.00 -1.26 -5.13 117.00 108.69 1ufg n LEU 21 Ca -0.04 -2.07 0.04 0.00 -0.00 0.00 0.00 56.01 53.94 1ufg n LEU 21 Cb 0.60 0.86 -0.04 0.00 -0.00 0.00 0.00 43.42 44.85 1ufg n LEU 21 CO 0.26 1.65 0.91 -0.70 -0.00 0.00 0.00 177.39 179.50 1ufg s GLU 22 N 0.11 0.02 -0.37 1.47 -6.30 -1.26 -5.12 118.70 107.25 1ufg s GLU 22 Ca 0.23 0.04 0.01 0.00 -2.50 0.00 0.00 54.97 52.74 1ufg s GLU 22 Cb 0.27 0.02 0.11 0.00 0.00 0.00 0.00 34.13 34.54 1ufg s GLU 22 CO -0.16 -0.01 0.15 -1.12 0.02 0.00 0.00 175.26 174.15 1ufg s SER 23 N 2.23 3.93 -0.34 -1.70 0.01 -1.26 -4.94 113.70 111.64 1ufg s SER 23 Ca -0.02 -2.10 -0.27 0.00 1.31 0.00 0.00 55.95 54.87 1ufg s SER 23 Cb -0.02 -1.00 0.04 0.00 0.21 0.00 0.00 66.02 65.25 1ufg s SER 23 CO -0.14 -0.35 0.48 -1.20 0.41 0.00 0.00 173.24 172.44 1ufg n SER 24 N 4.25 -6.04 -0.04 2.44 7.64 -1.26 -4.95 113.62 115.65 1ufg n SER 24 Ca 0.03 0.09 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 1ufg n SER 24 Cb 0.39 -2.07 -0.01 0.00 -1.01 0.00 0.00 64.21 61.51 1ufg n SER 24 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ufg h GLU 25 N 2.48 0.00 -5.93 1.43 4.39 -2.01 -3.50 114.58 111.43 1ufg h GLU 25 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1ufg h GLU 25 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1ufg h GLU 25 CO 0.17 0.00 -0.98 0.43 -1.16 0.00 0.00 179.01 177.46 1ufg n SER 26 N -3.85 -7.02 -1.37 1.42 7.64 -1.26 -4.72 113.62 104.46 1ufg n SER 26 Ca -0.04 0.78 0.16 0.00 1.01 0.00 0.00 58.87 60.78 1ufg n SER 26 Cb 0.14 -2.89 -0.08 0.00 -1.01 0.00 0.00 64.21 60.36 1ufg n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ufg n ARG 27 N 1.13 -3.00 -1.52 1.43 1.74 -1.26 -4.77 116.66 110.41 1ufg n ARG 27 Ca -0.01 2.40 -0.38 0.00 -0.77 0.00 0.00 57.85 59.10 1ufg n ARG 27 Cb 0.32 -3.58 0.05 0.00 -1.02 0.00 0.00 32.46 28.23 1ufg n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ufg n SER 28 N -4.28 -0.21 -4.33 0.55 7.64 -1.26 -5.01 113.62 106.72 1ufg n SER 28 Ca -0.07 0.75 -0.24 0.00 1.01 0.00 0.00 58.87 60.32 1ufg n SER 28 Cb 0.64 -1.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 1ufg n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ufg s SER 29 N -1.25 2.79 0.87 6.43 0.01 -1.26 -5.12 113.70 116.17 1ufg s SER 29 Ca 0.72 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 57.03 1ufg s SER 29 Cb -0.42 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1ufg s SER 29 CO 0.51 0.03 0.10 0.49 0.41 0.00 0.00 173.24 174.77 1ufg n PHE 30 N 0.56 -2.33 -0.96 2.43 3.72 -1.26 -4.67 117.46 114.95 1ufg n PHE 30 Ca -0.15 0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1ufg n PHE 30 Cb 0.56 -1.72 -0.07 0.00 -0.94 0.00 0.00 39.48 37.30 1ufg n PHE 30 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ufg n SER 31 N 0.41 2.23 -4.57 4.37 2.88 0.58 -4.74 113.62 114.78 1ufg n SER 31 Ca 0.05 -2.61 -0.38 0.00 -1.33 0.00 0.00 58.87 54.61 1ufg n SER 31 Cb 0.53 -0.96 0.04 0.00 -0.75 0.00 0.00 64.21 63.07 1ufg n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ufg n GLN 32 N 7.06 0.80 -2.76 -1.46 6.02 -1.26 -3.51 117.38 122.26 1ufg n GLN 32 Ca 0.48 0.31 -0.05 0.00 -0.01 0.00 0.00 57.00 57.73 1ufg n GLN 32 Cb 0.39 -2.00 0.01 0.00 1.02 0.00 0.00 30.24 29.66 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ufg n HIS 33 N -1.61 -3.75 -4.00 1.08 8.25 0.97 -4.91 115.22 111.25 1ufg n HIS 33 Ca 0.13 -1.44 -0.23 0.00 -0.26 0.00 0.00 57.72 55.92 1ufg n HIS 33 Cb 0.47 1.49 -0.03 0.00 1.12 0.00 0.00 29.99 33.03 1ufg n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ufg s ALA 34 N 0.83 3.84 -0.27 -1.41 0.00 -1.26 -0.84 121.76 122.66 1ufg s ALA 34 Ca 0.30 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1ufg s ALA 34 Cb 0.03 -1.63 0.16 0.00 0.00 0.00 0.00 23.12 21.68 1ufg s ALA 34 CO -0.08 0.37 0.49 1.03 0.00 0.00 0.00 175.76 177.57 1ufg s ARG 35 N -3.62 0.46 0.32 0.00 3.00 0.16 -4.93 118.95 114.34 1ufg s ARG 35 Ca 0.34 0.80 -0.20 0.00 0.00 0.00 0.00 55.73 56.66 1ufg s ARG 35 Cb -0.10 0.08 -0.09 0.00 0.00 0.00 0.00 34.95 34.84 1ufg s ARG 35 CO 0.28 -0.61 0.84 0.99 0.00 0.00 0.00 175.30 176.79 1ufg s THR 36 N 2.71 4.46 -0.48 0.02 2.01 -1.26 -0.76 115.64 122.34 1ufg s THR 36 Ca 0.16 1.39 0.06 0.00 0.31 0.00 0.00 61.69 63.61 1ufg s THR 36 Cb -0.15 -3.77 0.18 0.00 0.01 0.00 0.00 72.50 68.77 1ufg s THR 36 CO -0.18 -0.03 0.64 -0.55 -0.69 0.00 0.00 174.62 173.80 1ufg s SER 37 N -1.92 -0.88 0.00 3.53 0.15 0.52 -4.92 113.70 110.18 1ufg s SER 37 Ca 0.52 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1ufg s SER 37 Cb -0.14 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1ufg s SER 37 CO 0.19 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1ufg n GLY 38 N 3.18 -0.49 0.11 9.45 0.00 -1.24 -4.28 105.19 111.92 1ufg n GLY 38 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1ufg n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufg n ARG 39 N 0.00 0.40 -2.74 1.61 1.74 -1.26 -4.92 116.66 111.49 1ufg n ARG 39 Ca 0.00 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.95 1ufg n ARG 39 Cb 0.00 -1.30 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 1ufg n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufg s VAL 40 N -2.32 3.48 -0.17 1.55 1.01 -1.26 -1.64 120.40 121.04 1ufg s VAL 40 Ca -0.22 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1ufg s VAL 40 Cb 0.06 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ufg s VAL 40 CO 0.36 -0.25 0.44 0.00 0.00 0.00 0.00 175.10 175.66 1ufg s ALA 41 N -2.73 -1.10 -0.88 5.51 0.00 0.13 -4.55 121.76 118.14 1ufg s ALA 41 Ca 0.52 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.57 1ufg s ALA 41 Cb -0.10 -0.79 -0.08 0.00 0.00 0.00 0.00 23.12 22.15 1ufg s ALA 41 CO 0.40 -0.22 2.11 0.08 0.00 0.00 0.00 175.76 178.12 1ufg s VAL 42 N 0.51 3.29 0.04 0.00 1.01 -1.26 -0.37 120.40 123.63 1ufg s VAL 42 Ca -0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1ufg s VAL 42 Cb -0.04 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ufg s VAL 42 CO -0.03 -0.61 1.13 -0.08 0.00 0.00 0.00 175.10 175.51 1ufg h GLU 43 N 11.69 -0.01 -2.08 2.72 4.22 -1.50 -3.43 114.58 126.19 1ufg h GLU 43 Ca 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 1ufg h GLU 43 Cb 1.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.04 1ufg h GLU 43 CO 1.14 -0.01 0.02 -2.00 -2.18 0.00 0.00 179.01 175.98 1ufg s GLU 44 N -3.61 0.72 -0.15 1.92 2.56 -0.33 -4.98 118.70 114.83 1ufg s GLU 44 Ca -0.03 1.09 0.01 0.00 0.00 0.00 0.00 54.97 56.03 1ufg s GLU 44 Cb 0.03 0.23 0.02 0.00 2.00 0.00 0.00 34.13 36.40 1ufg s GLU 44 CO 0.15 -0.13 -0.16 0.08 -0.56 0.00 0.00 175.26 174.64 1ufg s VAL 45 N 1.11 1.73 -0.10 3.70 1.01 -1.26 -0.02 120.40 126.57 1ufg s VAL 45 Ca -0.06 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 1ufg s VAL 45 Cb -0.05 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 1ufg s VAL 45 CO -0.11 0.48 2.04 0.47 0.00 0.00 0.00 175.10 177.98 1ufg n ASP 46 N 4.61 3.57 -0.34 3.32 9.92 -0.84 -4.82 116.55 131.96 1ufg n ASP 46 Ca -0.18 0.69 0.16 0.00 -0.53 0.00 0.00 54.79 54.92 1ufg n ASP 46 Cb 0.50 -1.47 0.37 0.00 -0.64 0.00 0.00 41.12 39.88 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1ufg h GLU 47 N 11.64 0.58 -0.62 -1.24 4.11 -1.96 0.60 114.58 127.70 1ufg h GLU 47 Ca -0.45 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 1ufg h GLU 47 Cb 1.26 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1ufg h GLU 47 CO 0.95 0.39 0.24 1.05 0.07 0.00 0.00 179.01 181.71 1ufg h GLU 48 N 0.60 0.90 0.00 1.06 4.11 -1.87 -3.43 114.58 115.95 1ufg h GLU 48 Ca 0.63 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1ufg h GLU 48 Cb 1.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ufg h GLU 48 CO -0.46 0.74 0.00 0.41 0.07 0.00 0.00 179.01 179.77 1ufg n GLY 49 N -1.01 1.18 0.13 1.06 0.00 0.21 -2.73 105.19 104.03 1ufg n GLY 49 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1ufg n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufg h LYS 50 N 0.00 0.38 -2.72 1.61 1.57 -1.91 -1.66 116.57 113.84 1ufg h LYS 50 Ca 0.00 -0.64 0.02 0.00 -1.87 0.00 0.00 60.65 58.16 1ufg h LYS 50 Cb 0.00 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 32.42 1ufg h LYS 50 CO 0.00 1.28 0.30 -0.59 -0.57 0.00 0.00 179.45 179.87 1ufg s PHE 51 N -2.61 -0.48 -0.20 -1.35 -0.71 -1.26 0.26 117.98 111.63 1ufg s PHE 51 Ca -0.10 0.33 0.01 0.00 -1.04 0.00 0.00 56.93 56.12 1ufg s PHE 51 Cb 0.06 0.55 0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1ufg s PHE 51 CO 0.88 -0.74 -0.12 0.08 -1.34 0.00 0.00 175.22 173.98 1ufg s VAL 52 N -3.43 1.75 -0.25 -2.49 1.01 -0.34 -1.99 120.40 114.65 1ufg s VAL 52 Ca 0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1ufg s VAL 52 Cb -0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1ufg s VAL 52 CO -0.11 0.24 0.16 -0.13 0.00 0.00 0.00 175.10 175.26 1ufg s ARG 53 N 1.36 4.00 -0.07 2.72 0.52 0.97 0.55 118.95 128.99 1ufg s ARG 53 Ca -0.00 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 1ufg s ARG 53 Cb -0.16 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1ufg s ARG 53 CO -0.09 -0.04 -0.19 -0.51 0.02 0.00 0.00 175.30 174.50 1ufg s LEU 54 N 1.33 2.43 0.13 2.53 1.43 0.13 -1.18 118.68 125.49 1ufg s LEU 54 Ca 0.07 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1ufg s LEU 54 Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1ufg s LEU 54 CO 0.07 0.26 -0.22 -0.60 0.23 0.00 0.00 176.35 176.09 1ufg s ARG 55 N -0.23 1.24 -0.19 1.70 3.52 0.51 0.60 118.95 126.10 1ufg s ARG 55 Ca -0.00 -1.27 -0.08 0.00 -0.13 0.00 0.00 55.73 54.24 1ufg s ARG 55 Cb -0.13 -1.53 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 1ufg s ARG 55 CO 0.03 0.35 0.07 1.21 -0.81 0.00 0.00 175.30 176.15 1ufg s ASN 56 N -2.13 5.69 -0.02 -2.12 3.84 0.71 0.23 114.94 121.14 1ufg s ASN 56 Ca 0.11 0.09 0.19 0.00 0.21 0.00 0.00 52.86 53.45 1ufg s ASN 56 Cb -0.09 -1.98 -0.25 0.00 -0.55 0.00 0.00 41.25 38.37 1ufg s ASN 56 CO 0.05 0.16 0.57 0.29 -2.79 0.00 0.00 177.10 175.38 1ufg n LYS 57 N 3.63 0.72 -0.91 0.43 4.76 -0.65 -2.22 118.16 123.92 1ufg n LYS 57 Ca -0.16 -0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 54.89 1ufg n LYS 57 Cb 0.52 -1.42 0.22 0.00 -1.84 0.00 0.00 35.03 32.51 1ufg n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ufg s SER 58 N -3.57 1.72 -0.11 4.39 0.15 -0.81 -4.77 113.70 110.70 1ufg s SER 58 Ca -0.01 1.24 0.19 0.00 0.70 0.00 0.00 55.95 58.06 1ufg s SER 58 Cb 0.13 -1.93 -0.27 0.00 -1.71 0.00 0.00 66.02 62.24 1ufg s SER 58 CO 0.77 -3.70 0.25 -0.46 1.20 0.00 0.00 173.24 171.30 1ufg n ASN 59 N -4.56 0.35 -4.83 5.45 0.23 -1.26 -3.16 115.26 107.49 1ufg n ASN 59 Ca 0.05 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.73 1ufg n ASN 59 Cb 0.56 1.43 -0.07 0.00 -2.08 0.00 0.00 39.78 39.63 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ufg s GLU 60 N -2.92 3.65 0.23 -3.83 0.41 -1.26 -4.53 118.70 110.46 1ufg s GLU 60 Ca -0.08 -0.16 -0.29 0.00 -0.41 0.00 0.00 54.97 54.02 1ufg s GLU 60 Cb 0.09 -3.25 -0.16 0.00 -1.78 0.00 0.00 34.13 29.04 1ufg s GLU 60 CO 0.81 0.64 0.87 -0.40 -0.49 0.00 0.00 175.26 176.69 1ufg n ASP 61 N 2.44 0.41 -4.49 -0.19 5.68 -1.26 -4.18 116.55 114.96 1ufg n ASP 61 Ca -0.19 1.16 -0.37 0.00 -0.50 0.00 0.00 54.79 54.88 1ufg n ASP 61 Cb 0.54 -1.15 -0.12 0.00 -1.14 0.00 0.00 41.12 39.25 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1ufg s GLN 62 N -1.12 3.68 -0.29 0.11 2.00 0.66 -4.84 119.66 119.87 1ufg s GLN 62 Ca 0.64 -0.48 -0.27 0.00 -2.00 0.00 0.00 55.36 53.25 1ufg s GLN 62 Cb -0.82 -3.47 0.01 0.00 0.80 0.00 0.00 33.01 29.53 1ufg s GLN 62 CO 0.57 -0.23 0.97 -1.54 -0.50 0.00 0.00 175.29 174.56 1ufg s SER 63 N 1.66 6.89 -0.52 6.67 1.04 -1.26 0.18 113.70 128.36 1ufg s SER 63 Ca 0.06 1.02 0.03 0.00 0.48 0.00 0.00 55.95 57.54 1ufg s SER 63 Cb -0.16 -2.50 0.42 0.00 0.10 0.00 0.00 66.02 63.89 1ufg s SER 63 CO 0.06 -0.73 1.48 0.23 0.98 0.00 0.00 173.24 175.25 1ufg n MET 64 N 6.50 3.22 -1.56 4.02 0.00 0.06 -4.82 117.12 124.54 1ufg n MET 64 Ca 0.09 -4.01 -0.31 0.00 0.00 0.00 0.00 57.70 53.47 1ufg n MET 64 Cb 0.47 -2.27 -0.05 0.00 0.00 0.00 0.00 33.22 31.37 1ufg n MET 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ufg n GLY 65 N -0.63 4.43 0.00 3.03 0.00 -1.14 -3.62 105.19 107.26 1ufg n GLY 65 Ca 0.48 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1ufg n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ufg n ASN 66 N 1.92 0.00 -4.12 1.61 5.03 -1.24 -4.46 115.26 113.99 1ufg n ASN 66 Ca 0.58 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.67 1ufg n ASN 66 Cb 0.44 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.28 1ufg n ASN 66 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1ufg n TRP 67 N 0.00 -2.46 -3.97 3.10 7.02 -1.24 -4.40 117.44 115.50 1ufg n TRP 67 Ca 0.00 0.29 -0.09 0.00 -1.02 0.00 0.00 57.50 56.68 1ufg n TRP 67 Cb 0.00 -1.49 -0.05 0.00 -2.42 0.00 0.00 31.31 27.34 1ufg n TRP 67 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ufg s GLN 68 N -2.56 1.51 -0.08 -0.99 -0.21 0.13 0.15 119.66 117.60 1ufg s GLN 68 Ca 0.45 -1.20 0.01 0.00 0.02 0.00 0.00 55.36 54.64 1ufg s GLN 68 Cb -0.07 0.47 0.02 0.00 1.00 0.00 0.00 33.01 34.43 1ufg s GLN 68 CO 0.71 -0.62 -0.10 0.42 -2.12 0.00 0.00 175.29 173.58 1ufg s ILE 69 N -4.00 1.03 -0.15 1.08 1.01 0.75 0.32 121.20 121.25 1ufg s ILE 69 Ca 0.20 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 1ufg s ILE 69 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1ufg s ILE 69 CO 0.07 0.35 0.15 -0.13 0.00 0.00 0.00 174.94 175.38 1ufg s ARG 70 N 1.13 3.76 -0.25 2.79 0.52 0.17 0.48 118.95 127.54 1ufg s ARG 70 Ca -0.06 -0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1ufg s ARG 70 Cb -0.14 -3.28 0.08 0.00 0.52 0.00 0.00 34.95 32.13 1ufg s ARG 70 CO -0.02 0.58 0.08 0.50 0.02 0.00 0.00 175.30 176.46 1ufg s ARG 71 N -0.47 0.56 -0.08 3.54 6.06 -0.42 0.11 118.95 128.25 1ufg s ARG 71 Ca 0.13 -0.66 -0.03 0.00 -2.50 0.00 0.00 55.73 52.66 1ufg s ARG 71 Cb -0.12 -1.86 -0.04 0.00 0.06 0.00 0.00 34.95 32.99 1ufg s ARG 71 CO 0.02 -0.84 0.07 -1.14 -2.50 0.00 0.00 175.30 170.91 1ufg s GLN 72 N 1.83 3.17 -0.02 5.12 -0.44 0.33 -2.61 119.66 127.04 1ufg s GLN 72 Ca 0.05 -0.32 0.01 0.00 -2.50 0.00 0.00 55.36 52.60 1ufg s GLN 72 Cb -0.17 -2.95 0.01 0.00 -1.64 0.00 0.00 33.01 28.26 1ufg s GLN 72 CO -0.20 0.72 -0.05 -0.80 0.50 0.00 0.00 175.29 175.46 1ufg s ASN 73 N -1.12 0.72 0.29 6.67 -0.87 -1.26 -0.74 114.94 118.62 1ufg s ASN 73 Ca 0.16 -0.10 -0.28 0.00 -1.57 0.00 0.00 52.86 51.07 1ufg s ASN 73 Cb -0.12 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.25 40.75 1ufg s ASN 73 CO 0.05 0.01 0.92 0.61 -2.57 0.00 0.00 177.10 176.12 1ufg n GLY 74 N 3.46 -0.52 4.14 0.66 0.00 -0.93 -1.73 105.19 110.27 1ufg n GLY 74 Ca -0.19 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ufg n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufg n ASP 75 N 1.31 -2.75 -3.67 1.61 8.00 -1.26 -4.91 116.55 114.88 1ufg n ASP 75 Ca 0.11 -1.29 -0.07 0.00 0.71 0.00 0.00 54.79 54.25 1ufg n ASP 75 Cb 0.31 -1.69 -0.02 0.00 -0.02 0.00 0.00 41.12 39.71 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ufg s ASP 76 N -3.77 -0.32 0.73 -2.24 1.11 -0.71 -5.17 116.67 106.31 1ufg s ASP 76 Ca 0.36 -0.31 -0.11 0.00 0.18 0.00 0.00 52.55 52.67 1ufg s ASP 76 Cb -0.20 0.57 0.03 0.00 1.07 0.00 0.00 42.92 44.39 1ufg s ASP 76 CO 0.98 -1.01 1.07 -2.16 1.18 0.00 0.00 175.17 175.24 1ufg s PRO 77 N -3.55 2.66 -0.16 8.23 0.04 -1.26 -4.61 135.00 136.35 1ufg s PRO 77 Ca 0.08 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 1ufg s PRO 77 Cb -0.03 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1ufg s PRO 77 CO -0.01 -1.27 -0.01 -1.17 0.04 0.00 0.00 177.00 174.58 1ufg s LEU 78 N -5.62 3.44 0.12 -3.56 2.96 -1.26 -4.27 118.68 110.49 1ufg s LEU 78 Ca 0.59 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 1ufg s LEU 78 Cb -0.14 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1ufg s LEU 78 CO 0.55 0.18 -0.09 0.00 -1.32 0.00 0.00 176.35 175.67 1ufg s MET 79 N 0.29 2.15 -0.34 1.98 0.23 -1.07 -4.99 119.30 117.56 1ufg s MET 79 Ca -0.01 -1.07 -0.00 0.00 -1.03 0.00 0.00 55.69 53.57 1ufg s MET 79 Cb -0.13 -2.29 0.11 0.00 -1.53 0.00 0.00 34.83 30.98 1ufg s MET 79 CO 0.02 0.49 0.13 0.99 -2.03 0.00 0.00 175.02 174.63 1ufg s THR 80 N -1.35 0.84 -0.79 3.16 2.01 -1.26 -1.29 115.64 116.95 1ufg s THR 80 Ca 0.23 -1.58 -0.26 0.00 0.31 0.00 0.00 61.69 60.39 1ufg s THR 80 Cb -0.11 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1ufg s THR 80 CO 0.15 -0.75 1.56 -0.47 -0.69 0.00 0.00 174.62 174.42 1ufg s TYR 81 N 1.38 2.11 -0.03 4.92 5.04 0.18 -4.76 117.35 126.19 1ufg s TYR 81 Ca 0.12 0.08 -0.30 0.00 -2.44 0.00 0.00 57.07 54.53 1ufg s TYR 81 Cb -0.19 -4.43 -0.02 0.00 0.35 0.00 0.00 41.96 37.67 1ufg s TYR 81 CO -0.19 -2.06 0.99 0.50 -1.34 0.00 0.00 175.55 173.44 1ufg s ARG 82 N 6.08 4.52 0.80 4.97 3.52 -1.26 -0.18 118.95 137.40 1ufg s ARG 82 Ca 0.50 1.41 -0.12 0.00 -0.13 0.00 0.00 55.73 57.40 1ufg s ARG 82 Cb -0.07 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 29.91 1ufg s ARG 82 CO 0.09 -0.13 1.11 -0.06 -0.81 0.00 0.00 175.30 175.50 1ufg s PHE 83 N 1.31 2.87 0.41 5.12 0.08 0.12 -4.96 117.98 122.94 1ufg s PHE 83 Ca 0.51 1.04 -0.23 0.00 0.12 0.00 0.00 56.93 58.36 1ufg s PHE 83 Cb -0.20 -3.19 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 1ufg s PHE 83 CO 0.25 -1.78 1.05 -1.25 -0.10 0.00 0.00 175.22 173.39 1ufg s PRO 84 N -5.25 4.11 0.00 0.24 0.04 -1.26 -4.15 135.00 128.72 1ufg s PRO 84 Ca 0.61 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1ufg s PRO 84 Cb -0.14 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1ufg s PRO 84 CO 0.53 -0.19 0.52 -0.35 0.04 0.00 0.00 177.00 177.55 1ufg n PRO 85 N -0.19 0.75 -1.45 0.56 -0.04 -1.26 -2.26 135.00 131.10 1ufg n PRO 85 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1ufg n PRO 85 Cb 0.50 -1.28 0.01 0.00 -0.04 0.00 0.00 33.50 32.69 1ufg n PRO 85 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ufg n LYS 86 N 0.32 0.00 -4.24 0.54 4.01 -1.26 -4.74 118.16 112.79 1ufg n LYS 86 Ca 0.00 -1.90 -0.29 0.00 -0.51 0.00 0.00 58.31 55.61 1ufg n LYS 86 Cb 0.26 0.05 -0.10 0.00 -0.51 0.00 0.00 35.03 34.73 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ufg s PHE 87 N -0.01 2.72 -0.26 2.13 5.36 -0.96 -5.01 117.98 121.95 1ufg s PHE 87 Ca 0.31 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1ufg s PHE 87 Cb 0.35 -1.40 0.14 0.00 -0.34 0.00 0.00 43.02 41.77 1ufg s PHE 87 CO -0.15 0.45 0.48 0.99 -1.46 0.00 0.00 175.22 175.53 1ufg s THR 88 N -1.33 -0.77 -0.79 0.12 2.01 -1.26 -0.76 115.64 112.85 1ufg s THR 88 Ca 0.22 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 1ufg s THR 88 Cb -0.11 -0.86 0.08 0.00 0.01 0.00 0.00 72.50 71.63 1ufg s THR 88 CO 0.14 -0.03 1.11 -0.22 -0.69 0.00 0.00 174.62 174.93 1ufg s LEU 89 N 2.69 4.31 1.02 4.42 2.96 0.49 -4.83 118.68 129.74 1ufg s LEU 89 Ca 0.10 -1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 52.55 1ufg s LEU 89 Cb -0.14 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 1ufg s LEU 89 CO -0.17 -1.39 -0.20 0.29 -1.32 0.00 0.00 176.35 173.56 1ufg n LYS 90 N 7.74 -0.62 -2.57 1.98 5.02 -1.26 -0.24 118.16 128.21 1ufg n LYS 90 Ca 0.10 -0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1ufg n LYS 90 Cb 0.48 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1ufg n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ufg s ALA 91 N -2.22 3.32 0.00 7.82 0.00 -1.26 -2.67 121.76 126.74 1ufg s ALA 91 Ca 0.51 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1ufg s ALA 91 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1ufg s ALA 91 CO 0.70 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1ufg n GLY 92 N 2.42 0.61 3.99 0.00 0.00 -0.94 -4.93 105.19 106.34 1ufg n GLY 92 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1ufg n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 93 N -0.17 2.33 0.05 1.61 1.11 -1.09 -4.82 119.66 118.68 1ufg s GLN 93 Ca 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 55.36 54.26 1ufg s GLN 93 Cb 0.00 -2.52 -0.03 0.00 -1.01 0.00 0.00 33.01 29.46 1ufg s GLN 93 CO 0.00 -0.85 0.03 0.54 0.01 0.00 0.00 175.29 175.02 1ufg s VAL 94 N -2.78 0.19 0.00 1.09 0.11 -1.26 -0.21 120.40 117.54 1ufg s VAL 94 Ca 0.60 -1.53 -0.07 0.00 -2.93 0.00 0.00 61.98 58.05 1ufg s VAL 94 Cb -0.08 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1ufg s VAL 94 CO 0.39 -0.84 0.14 0.54 -3.33 0.00 0.00 175.10 172.00 1ufg s VAL 95 N -3.57 0.08 -0.08 2.04 0.11 0.20 -4.79 120.40 114.38 1ufg s VAL 95 Ca 0.03 -0.67 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1ufg s VAL 95 Cb 0.05 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1ufg s VAL 95 CO -0.09 -0.37 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.22 1ufg s THR 96 N -1.35 1.77 -0.78 5.04 2.01 -0.50 0.22 115.64 122.05 1ufg s THR 96 Ca -0.14 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.02 1ufg s THR 96 Cb -0.07 -1.54 0.19 0.00 0.01 0.00 0.00 72.50 71.09 1ufg s THR 96 CO 0.02 0.50 0.61 -0.38 -0.69 0.00 0.00 174.62 174.67 1ufg n ILE 97 N 3.50 2.17 -0.93 1.82 -0.00 0.19 0.13 119.36 126.24 1ufg n ILE 97 Ca -0.20 -4.98 -0.31 0.00 -0.00 0.00 0.00 62.75 57.27 1ufg n ILE 97 Cb 0.53 -2.25 0.14 0.00 -0.00 0.00 0.00 39.64 38.05 1ufg n ILE 97 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1ufg s TRP 98 N -1.48 2.01 -0.08 1.39 0.52 0.51 -1.20 118.94 120.60 1ufg s TRP 98 Ca 0.26 1.65 -0.01 0.00 0.02 0.00 0.00 56.10 58.03 1ufg s TRP 98 Cb -0.05 -3.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 1ufg s TRP 98 CO -0.15 -2.45 -0.03 0.00 0.02 0.00 0.00 176.95 174.34 1ufg s ALA 99 N -2.75 3.14 0.18 0.98 0.00 0.14 -0.17 121.76 123.29 1ufg s ALA 99 Ca 0.64 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 1ufg s ALA 99 Cb -0.20 -1.37 0.18 0.00 0.00 0.00 0.00 23.12 21.72 1ufg s ALA 99 CO 0.57 0.57 1.27 0.45 0.00 0.00 0.00 175.76 178.62 1ufg n SER 100 N 2.23 -0.56 -0.25 0.00 2.88 0.46 0.19 113.62 118.57 1ufg n SER 100 Ca -0.18 1.43 0.05 0.00 -1.33 0.00 0.00 58.87 58.84 1ufg n SER 100 Cb 0.53 -0.32 0.17 0.00 -0.75 0.00 0.00 64.21 63.84 1ufg n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ufg h GLY 101 N 0.00 0.91 -0.28 0.46 0.00 0.18 -0.76 103.07 103.58 1ufg h GLY 101 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1ufg h GLY 101 CO -0.81 -0.24 -0.47 0.00 0.00 0.00 0.00 176.54 175.02 1ufg h ALA 102 N 1.65 -0.57 0.00 3.60 0.00 0.19 -3.46 119.26 120.67 1ufg h ALA 102 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1ufg h ALA 102 Cb 0.71 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ufg h ALA 102 CO -0.58 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.14 1ufg n GLY 103 N -1.41 0.98 0.00 0.00 0.00 -0.29 -5.03 105.19 99.43 1ufg n GLY 103 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 104 N -0.98 0.00 -3.98 4.61 0.00 -1.26 -5.00 120.51 113.90 1ufg n ALA 104 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ufg n ALA 104 Cb 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.34 1ufg n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ufg s THR 105 N -0.02 1.49 -0.21 0.00 2.01 -1.26 -5.08 115.64 112.57 1ufg s THR 105 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1ufg s THR 105 Cb 0.00 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.90 1ufg s THR 105 CO 0.00 0.24 2.18 1.57 -0.69 0.00 0.00 174.62 177.93 1ufg n HIS 106 N 4.76 1.98 -3.13 4.92 -0.00 -1.26 -4.66 115.22 117.82 1ufg n HIS 106 Ca -0.15 -0.09 -0.21 0.00 0.46 0.00 0.00 57.72 57.73 1ufg n HIS 106 Cb 0.48 -2.70 -0.05 0.00 -0.12 0.00 0.00 29.99 27.59 1ufg n HIS 106 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ufg n SER 107 N 10.85 -0.17 -4.79 0.26 7.64 -1.16 -4.98 113.62 121.27 1ufg n SER 107 Ca 0.30 -2.81 -0.29 0.00 1.01 0.00 0.00 58.87 57.08 1ufg n SER 107 Cb 0.41 -0.30 0.13 0.00 -1.01 0.00 0.00 64.21 63.44 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ufg s PRO 108 N -1.06 1.26 0.04 1.43 0.04 0.25 0.19 135.00 137.15 1ufg s PRO 108 Ca 0.35 0.33 0.22 0.00 0.04 0.00 0.00 61.00 61.94 1ufg s PRO 108 Cb 0.20 -1.85 0.92 0.00 0.04 0.00 0.00 34.50 33.81 1ufg s PRO 108 CO -0.12 -2.12 1.71 -0.35 0.04 0.00 0.00 177.00 176.15 1ufg n PRO 109 N -3.72 0.04 0.00 0.56 -0.04 -1.26 -4.73 135.00 125.85 1ufg n PRO 109 Ca 0.07 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ufg n PRO 109 Cb 0.59 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -1.64 0.00 -2.38 0.52 -2.24 -1.16 -4.73 114.28 102.65 1ufg n THR 110 Ca 0.05 0.88 -0.36 0.00 -2.27 0.00 0.00 64.05 62.35 1ufg n THR 110 Cb 0.27 -1.88 -0.02 0.00 -2.10 0.00 0.00 70.33 66.60 1ufg n THR 110 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ufg s ASP 111 N -2.01 6.25 -0.04 3.42 1.11 0.50 -1.41 116.67 124.48 1ufg s ASP 111 Ca 0.00 2.14 -0.09 0.00 0.18 0.00 0.00 52.55 54.79 1ufg s ASP 111 Cb 0.00 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.42 1ufg s ASP 111 CO 0.00 -0.85 0.21 -0.76 1.18 0.00 0.00 175.17 174.95 1ufg s LEU 112 N -3.18 1.24 -0.21 1.23 1.43 0.34 -0.59 118.68 118.95 1ufg s LEU 112 Ca 0.65 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1ufg s LEU 112 Cb -0.24 0.81 0.03 0.00 0.03 0.00 0.00 46.19 46.83 1ufg s LEU 112 CO 0.29 -0.23 -0.16 -0.69 0.23 0.00 0.00 176.35 175.78 1ufg s VAL 113 N -0.61 2.12 -0.64 -1.59 1.01 -1.26 0.19 120.40 119.62 1ufg s VAL 113 Ca -0.07 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 1ufg s VAL 113 Cb -0.04 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1ufg s VAL 113 CO 0.01 0.33 1.15 0.86 0.00 0.00 0.00 175.10 177.45 1ufg s TRP 114 N 1.22 2.53 -0.12 5.22 -0.11 0.76 -4.84 118.94 123.61 1ufg s TRP 114 Ca -0.00 0.07 -0.23 0.00 1.22 0.00 0.00 56.10 57.16 1ufg s TRP 114 Cb -0.16 -4.45 -0.27 0.00 -1.50 0.00 0.00 33.47 27.09 1ufg s TRP 114 CO -0.10 -1.72 0.67 0.87 -4.62 0.00 0.00 176.95 172.05 1ufg h LYS 115 N 9.67 0.14 -0.76 5.86 1.57 -1.96 0.13 116.57 131.23 1ufg h LYS 115 Ca -0.27 -0.23 0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1ufg h LYS 115 Cb 1.06 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.32 1ufg h LYS 115 CO 1.20 1.11 -0.23 0.00 -0.57 0.00 0.00 179.45 180.96 1ufg n ALA 116 N -2.83 0.08 -2.02 3.86 0.00 -1.26 -4.36 120.51 113.98 1ufg n ALA 116 Ca -0.18 0.81 -0.20 0.00 0.00 0.00 0.00 53.44 53.87 1ufg n ALA 116 Cb 0.70 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.76 1ufg n ALA 116 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ufg s GLN 117 N -5.87 2.36 -0.03 0.00 1.03 -1.25 -5.05 119.66 110.84 1ufg s GLN 117 Ca -0.11 -1.44 0.03 0.00 0.04 0.00 0.00 55.36 53.88 1ufg s GLN 117 Cb 0.19 -2.63 -0.04 0.00 0.03 0.00 0.00 33.01 30.56 1ufg s GLN 117 CO 0.57 -0.79 0.01 0.09 -2.54 0.00 0.00 175.29 172.63 1ufg n ASN 118 N -2.23 4.12 -3.68 12.60 3.02 -1.26 -4.04 115.26 123.78 1ufg n ASN 118 Ca 0.13 -0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1ufg n ASN 118 Cb 0.61 0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 40.21 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ufg s THR 119 N -2.08 -0.16 0.32 3.41 -1.32 -1.26 0.19 115.64 114.74 1ufg s THR 119 Ca -0.02 0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.64 1ufg s THR 119 Cb 0.01 -0.68 0.34 0.00 -1.51 0.00 0.00 72.50 70.65 1ufg s THR 119 CO 0.14 0.04 1.63 -0.50 -2.21 0.00 0.00 174.62 173.72 1ufg h TRP 120 N 7.32 0.54 0.00 9.09 4.06 -1.60 -3.45 115.95 131.91 1ufg h TRP 120 Ca -0.32 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1ufg h TRP 120 Cb 1.17 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1ufg h TRP 120 CO 0.22 -0.27 0.00 0.41 -3.56 0.00 0.00 178.44 175.24 1ufg n GLY 121 N -1.35 3.29 3.69 1.49 0.00 -1.26 -4.94 105.19 106.11 1ufg n GLY 121 Ca 0.27 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1ufg n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n GLY 123 N -2.18 3.98 0.25 0.00 0.00 -1.26 -4.89 105.19 101.10 1ufg n GLY 123 Ca 0.16 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 1ufg n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufg h SER 124 N 0.00 0.74 -3.78 1.61 4.64 -1.94 -3.39 113.55 111.43 1ufg h SER 124 Ca 0.00 -0.10 -0.66 0.00 -0.47 0.00 0.00 61.79 60.56 1ufg h SER 124 Cb 0.00 -0.19 -0.18 0.00 -0.31 0.00 0.00 62.40 61.72 1ufg h SER 124 CO 0.00 0.63 -0.47 -0.55 -0.87 0.00 0.00 176.83 175.57 1ufg s SER 125 N -5.91 6.06 0.05 4.97 0.15 -1.26 0.12 113.70 117.88 1ufg s SER 125 Ca -0.13 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1ufg s SER 125 Cb 0.13 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1ufg s SER 125 CO 0.77 -0.17 -0.09 -0.76 1.20 0.00 0.00 173.24 174.19 1ufg s LEU 126 N 1.77 2.28 -0.28 3.45 1.43 0.14 -2.19 118.68 125.28 1ufg s LEU 126 Ca 0.07 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1ufg s LEU 126 Cb -0.17 -0.21 0.16 0.00 0.03 0.00 0.00 46.19 46.00 1ufg s LEU 126 CO 0.11 -0.20 0.46 -0.60 0.23 0.00 0.00 176.35 176.34 1ufg s ARG 127 N -1.75 0.44 0.38 1.70 3.52 0.08 -0.85 118.95 122.47 1ufg s ARG 127 Ca -0.07 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.98 1ufg s ARG 127 Cb -0.09 -0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.14 1ufg s ARG 127 CO 0.00 -0.87 0.57 0.99 -0.81 0.00 0.00 175.30 175.18 1ufg s THR 128 N 2.63 4.28 0.19 4.11 2.01 -0.58 -0.51 115.64 127.78 1ufg s THR 128 Ca 0.12 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 1ufg s THR 128 Cb -0.13 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.89 1ufg s THR 128 CO -0.24 -0.31 0.61 0.00 -0.69 0.00 0.00 174.62 173.99 1ufg s ALA 129 N -2.36 -1.41 -0.06 7.40 0.00 0.30 -1.39 121.76 124.25 1ufg s ALA 129 Ca 0.45 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1ufg s ALA 129 Cb -0.10 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1ufg s ALA 129 CO 0.35 -0.83 -0.17 -1.17 0.00 0.00 0.00 175.76 173.94 1ufg s LEU 130 N -2.80 1.87 0.08 0.00 2.96 0.15 0.46 118.68 121.39 1ufg s LEU 130 Ca 0.04 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1ufg s LEU 130 Cb -0.02 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1ufg s LEU 130 CO -0.07 0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.26 1ufg s ILE 131 N 0.23 2.77 0.11 6.68 -1.09 0.15 -0.84 121.20 129.21 1ufg s ILE 131 Ca -0.08 -1.36 0.01 0.00 -2.23 0.00 0.00 60.65 56.99 1ufg s ILE 131 Cb -0.13 -2.21 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1ufg s ILE 131 CO 0.03 0.22 0.15 -0.46 -1.23 0.00 0.00 174.94 173.65 1ufg n ASN 132 N 1.19 0.31 -0.33 3.58 0.23 -0.66 0.20 115.26 119.78 1ufg n ASN 132 Ca -0.16 -1.24 0.09 0.00 -0.53 0.00 0.00 54.58 52.75 1ufg n ASN 132 Cb 0.52 -0.08 0.20 0.00 -2.08 0.00 0.00 39.78 38.34 1ufg n ASN 132 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1ufg h SER 133 N -0.02 -0.62 -3.41 0.53 0.87 -1.90 -3.40 113.55 105.60 1ufg h SER 133 Ca -0.05 0.27 -0.49 0.00 -1.23 0.00 0.00 61.79 60.29 1ufg h SER 133 Cb 0.21 0.51 0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1ufg h SER 133 CO 0.06 -0.31 0.02 0.42 -0.53 0.00 0.00 176.83 176.49 1ufg s THR 134 N -6.13 4.94 -0.50 2.23 -4.23 -1.26 -4.79 115.64 105.90 1ufg s THR 134 Ca -0.14 0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.39 1ufg s THR 134 Cb 0.27 -3.81 -0.13 0.00 1.34 0.00 0.00 72.50 70.17 1ufg s THR 134 CO 0.77 -0.64 1.71 0.61 -0.54 0.00 0.00 174.62 176.54 1ufg n GLY 135 N -1.74 2.17 3.01 3.99 0.00 -1.26 -4.74 105.19 106.62 1ufg n GLY 135 Ca -0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 1ufg n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufg s GLU 136 N 4.85 0.15 0.32 1.61 2.12 -1.26 -5.04 118.70 121.46 1ufg s GLU 136 Ca 0.41 0.24 -0.23 0.00 0.36 0.00 0.00 54.97 55.75 1ufg s GLU 136 Cb 0.10 0.03 -0.10 0.00 0.26 0.00 0.00 34.13 34.42 1ufg s GLU 136 CO 0.08 -0.05 0.88 -2.00 -0.54 0.00 0.00 175.26 173.64 1ufg s GLU 137 N 0.30 4.39 -0.05 4.30 2.12 -1.26 -1.65 118.70 126.85 1ufg s GLU 137 Ca -0.02 1.13 0.01 0.00 0.36 0.00 0.00 54.97 56.45 1ufg s GLU 137 Cb -0.03 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1ufg s GLU 137 CO -0.01 0.23 -0.03 1.33 -0.54 0.00 0.00 175.26 176.24 1ufg n VAL 138 N 0.26 0.27 -4.04 3.70 0.24 -0.02 -4.92 118.33 113.83 1ufg n VAL 138 Ca 0.02 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 62.13 1ufg n VAL 138 Cb 0.51 -0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 32.06 1ufg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ufg s ALA 139 N -2.10 0.33 0.03 2.33 0.00 -1.24 0.19 121.76 121.30 1ufg s ALA 139 Ca -0.05 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1ufg s ALA 139 Cb 0.02 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1ufg s ALA 139 CO 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 175.76 175.50 1ufg s MET 140 N -3.50 0.38 -0.39 0.00 0.00 0.06 -0.67 119.30 115.17 1ufg s MET 140 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 55.69 55.02 1ufg s MET 140 Cb 0.05 0.11 0.16 0.00 0.00 0.00 0.00 34.83 35.15 1ufg s MET 140 CO -0.09 -0.06 0.31 0.50 0.00 0.00 0.00 175.02 175.69 1ufg s ARG 141 N -1.92 0.75 0.48 3.16 3.52 -0.48 0.37 118.95 124.83 1ufg s ARG 141 Ca -0.11 -1.67 -0.19 0.00 -0.13 0.00 0.00 55.73 53.63 1ufg s ARG 141 Cb -0.07 -1.25 -0.09 0.00 -1.56 0.00 0.00 34.95 31.98 1ufg s ARG 141 CO -0.03 -1.30 0.98 0.21 -0.81 0.00 0.00 175.30 174.35 1ufg s LYS 142 N 0.59 4.03 -0.28 5.12 2.20 -0.02 -1.52 119.74 129.86 1ufg s LYS 142 Ca 0.26 1.06 -0.08 0.00 -0.36 0.00 0.00 55.97 56.85 1ufg s LYS 142 Cb -0.08 -2.15 0.13 0.00 -1.51 0.00 0.00 37.83 34.22 1ufg s LYS 142 CO -0.10 -0.20 0.59 -0.51 -0.36 0.00 0.00 175.35 174.76 1ufg s LEU 143 N -3.67 -1.05 -0.09 5.43 1.02 -0.03 -0.02 118.68 120.27 1ufg s LEU 143 Ca 0.61 1.33 0.02 0.00 0.02 0.00 0.00 54.13 56.11 1ufg s LEU 143 Cb -0.10 2.05 0.02 0.00 0.02 0.00 0.00 46.19 48.17 1ufg s LEU 143 CO 0.23 -0.23 -0.13 -0.69 0.02 0.00 0.00 176.35 175.55 1ufg s VAL 144 N 2.82 1.26 0.24 -1.59 1.01 -1.23 0.29 120.40 123.20 1ufg s VAL 144 Ca -0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1ufg s VAL 144 Cb -0.12 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1ufg s VAL 144 CO -0.18 0.39 0.94 -0.60 0.00 0.00 0.00 175.10 175.65 1ufg s ARG 145 N 0.93 4.85 -0.41 2.72 3.52 0.32 0.21 118.95 131.10 1ufg s ARG 145 Ca -0.09 1.49 -0.10 0.00 -0.13 0.00 0.00 55.73 56.90 1ufg s ARG 145 Cb -0.15 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.03 1ufg s ARG 145 CO 0.00 0.51 0.26 -1.12 -0.81 0.00 0.00 175.30 174.15 1ufg s SER 146 N -1.18 5.69 0.08 -2.12 0.01 -1.26 -4.84 113.70 110.09 1ufg s SER 146 Ca 0.41 -1.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.02 1ufg s SER 146 Cb -0.26 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.04 1ufg s SER 146 CO 0.32 -0.52 0.66 -0.83 0.41 0.00 0.00 173.24 173.29 1ufg s GLY 147 N 2.05 -0.58 0.56 3.44 0.00 -1.26 -5.06 107.32 106.47 1ufg s GLY 147 Ca 0.03 0.81 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 1ufg s GLY 147 CO 0.03 0.41 1.05 2.56 0.00 0.00 0.00 173.10 177.15 1ufg s PRO 148 N -2.95 3.49 -0.28 2.90 0.04 -1.26 -5.07 135.00 131.87 1ufg s PRO 148 Ca -0.02 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1ufg s PRO 148 Cb -0.01 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1ufg s PRO 148 CO -0.06 -0.67 0.86 -1.54 0.04 0.00 0.00 177.00 175.62 1ufg s SER 149 N -2.64 -0.67 0.99 6.66 1.04 -1.26 -5.16 113.70 112.67 1ufg s SER 149 Ca 0.64 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 1ufg s SER 149 Cb -0.15 1.24 -0.09 0.00 0.10 0.00 0.00 66.02 67.11 1ufg s SER 149 CO 0.33 -0.18 -0.53 -0.24 0.98 0.00 0.00 173.24 173.59 1ufg n SER 150 N 3.49 -4.39 0.00 7.02 2.88 -1.26 -5.34 113.62 116.02 1ufg n SER 150 Ca -0.17 0.18 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1ufg n SER 150 Cb 0.57 -0.86 0.09 0.00 -0.75 0.00 0.00 64.21 63.27 1ufg n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42