#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 -0.11 -0.15 1.61 1.04 -1.26 -5.19 113.70 109.64 1ufg s SER 2 Ca 0.00 0.01 -0.34 0.00 0.48 0.00 0.00 55.95 56.10 1ufg s SER 2 Cb 0.00 0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.37 1ufg s SER 2 CO 0.00 -0.17 1.28 -0.55 0.98 0.00 0.00 173.24 174.78 1ufg s SER 3 N -2.03 -0.08 0.00 7.02 0.15 -1.26 -5.18 113.70 112.32 1ufg s SER 3 Ca 0.10 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ufg s SER 3 Cb -0.01 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1ufg s SER 3 CO -0.04 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1ufg n GLY 4 N -0.22 -0.03 1.06 9.45 0.00 -1.26 -5.17 105.19 109.02 1ufg n GLY 4 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1ufg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufg n SER 5 N 0.00 -5.77 -3.62 1.61 2.88 -1.26 -5.09 113.62 102.37 1ufg n SER 5 Ca 0.00 1.17 -0.05 0.00 -1.33 0.00 0.00 58.87 58.66 1ufg n SER 5 Cb 0.00 -3.05 -0.05 0.00 -0.75 0.00 0.00 64.21 60.37 1ufg n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufg s SER 6 N -4.26 -0.17 -0.09 -3.46 0.15 -1.26 -5.16 113.70 99.45 1ufg s SER 6 Ca 0.00 0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 1ufg s SER 6 Cb 0.00 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1ufg s SER 6 CO 0.00 -0.15 0.14 -0.83 1.20 0.00 0.00 173.24 173.60 1ufg s GLY 7 N -0.93 0.11 -0.29 9.45 0.00 -1.26 -5.13 107.32 109.27 1ufg s GLY 7 Ca 0.05 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.94 1ufg s GLY 7 CO -0.05 1.66 1.04 1.20 0.00 0.00 0.00 173.10 176.95 1ufg s GLN 8 N 2.26 0.40 -0.30 2.90 -0.21 -1.26 -5.15 119.66 118.30 1ufg s GLN 8 Ca 0.04 0.58 -0.19 0.00 0.02 0.00 0.00 55.36 55.81 1ufg s GLN 8 Cb -0.13 0.14 0.18 0.00 1.00 0.00 0.00 33.01 34.21 1ufg s GLN 8 CO -0.06 -0.06 1.25 0.45 -2.12 0.00 0.00 175.29 174.75 1ufg s SER 9 N 0.75 -0.07 -0.04 5.90 0.15 -1.26 -5.18 113.70 113.95 1ufg s SER 9 Ca -0.02 0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.39 1ufg s SER 9 Cb -0.04 1.06 0.09 0.00 -1.71 0.00 0.00 66.02 65.42 1ufg s SER 9 CO -0.11 -0.01 0.76 -1.10 1.20 0.00 0.00 173.24 173.98 1ufg s GLN 10 N 2.69 0.96 0.00 5.44 -0.21 -1.26 -5.18 119.66 122.10 1ufg s GLN 10 Ca -0.07 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1ufg s GLN 10 Cb -0.06 0.45 0.00 0.00 1.00 0.00 0.00 33.01 34.40 1ufg s GLN 10 CO -0.10 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1ufg n GLY 11 N 0.60 2.61 0.00 3.09 0.00 -1.26 -5.18 105.19 105.04 1ufg n GLY 11 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.77 3.03 0.00 -0.02 0.00 -1.26 -5.18 105.19 100.98 1ufg n GLY 12 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.40 4.64 3.65 -0.02 0.00 -1.26 -5.19 105.19 106.61 1ufg n GLY 13 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1ufg n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufg s SER 14 N 0.00 -0.26 -0.29 1.61 0.15 -1.26 -5.13 113.70 108.52 1ufg s SER 14 Ca 0.00 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1ufg s SER 14 Cb 0.00 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 1ufg s SER 14 CO 0.00 -0.78 -0.01 -0.69 1.20 0.00 0.00 173.24 172.96 1ufg s VAL 15 N -3.21 1.94 0.05 4.45 1.01 -1.26 -5.10 120.40 118.28 1ufg s VAL 15 Ca 0.09 -1.82 0.08 0.00 0.00 0.00 0.00 61.98 60.34 1ufg s VAL 15 Cb -0.01 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ufg s VAL 15 CO -0.03 -0.34 -0.24 -0.89 0.00 0.00 0.00 175.10 173.60 1ufg s THR 16 N 1.13 1.91 0.45 3.92 2.01 -1.26 -5.05 115.64 118.75 1ufg s THR 16 Ca 0.02 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1ufg s THR 16 Cb -0.19 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1ufg s THR 16 CO -0.09 0.28 0.00 0.29 -0.69 0.00 0.00 174.62 174.41 1ufg n LYS 17 N 1.79 -2.55 -2.39 4.92 4.01 -1.26 -4.66 118.16 118.02 1ufg n LYS 17 Ca -0.17 2.03 -0.29 0.00 -0.51 0.00 0.00 58.31 59.38 1ufg n LYS 17 Cb 0.53 -3.00 0.01 0.00 -0.51 0.00 0.00 35.03 32.05 1ufg n LYS 17 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1ufg n LYS 18 N -3.86 3.34 -2.53 1.97 0.00 -1.26 -4.96 118.16 110.86 1ufg n LYS 18 Ca -0.06 -4.36 -0.01 0.00 -0.00 0.00 0.00 58.31 53.88 1ufg n LYS 18 Cb 0.53 -2.25 -0.01 0.00 -0.00 0.00 0.00 35.03 33.30 1ufg n LYS 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ufg n ARG 19 N -0.50 -3.19 -1.02 -1.58 1.74 -1.26 -4.87 116.66 105.98 1ufg n ARG 19 Ca 0.41 2.59 0.14 0.00 -0.77 0.00 0.00 57.85 60.22 1ufg n ARG 19 Cb 0.61 -4.76 -0.04 0.00 -1.02 0.00 0.00 32.46 27.25 1ufg n ARG 19 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ufg n LYS 20 N 0.74 -2.08 -3.15 5.56 4.81 -1.26 -4.96 118.16 117.82 1ufg n LYS 20 Ca -0.06 1.41 0.05 0.00 -0.87 0.00 0.00 58.31 58.84 1ufg n LYS 20 Cb 0.09 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 32.60 1ufg n LYS 20 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1ufg s LEU 21 N -5.82 -1.00 0.01 3.14 0.20 -1.26 -5.05 118.68 108.91 1ufg s LEU 21 Ca 0.00 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.39 1ufg s LEU 21 Cb 0.00 1.82 0.00 0.00 -0.43 0.00 0.00 46.19 47.58 1ufg s LEU 21 CO 0.00 -0.19 0.00 -0.62 -0.29 0.00 0.00 176.35 175.25 1ufg n GLU 22 N 5.44 0.00 -2.50 1.98 1.02 -1.26 -5.13 120.64 120.18 1ufg n GLU 22 Ca -0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.06 1ufg n GLU 22 Cb 0.53 -0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.90 1ufg n GLU 22 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ufg n SER 23 N -2.53 -1.07 -4.89 1.62 2.88 -1.26 -5.06 113.62 103.31 1ufg n SER 23 Ca 0.00 1.30 -0.25 0.00 -1.33 0.00 0.00 58.87 58.59 1ufg n SER 23 Cb 0.00 -5.00 -0.01 0.00 -0.75 0.00 0.00 64.21 58.45 1ufg n SER 23 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufg s SER 24 N -0.62 4.66 0.48 -3.46 0.15 -1.26 -5.03 113.70 108.64 1ufg s SER 24 Ca -0.25 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.22 1ufg s SER 24 Cb 0.02 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1ufg s SER 24 CO 0.69 -1.01 0.00 -0.62 1.20 0.00 0.00 173.24 173.49 1ufg n GLU 25 N -1.70 -4.66 0.09 5.44 -0.58 -1.26 -5.05 120.64 112.92 1ufg n GLU 25 Ca -0.01 3.44 0.00 0.00 -0.42 0.00 0.00 57.16 60.17 1ufg n GLU 25 Cb 0.64 -3.85 0.00 0.00 -0.57 0.00 0.00 31.44 27.66 1ufg n GLU 25 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ufg n SER 26 N -0.54 -1.69 -4.02 1.62 7.64 -1.26 -5.16 113.62 110.23 1ufg n SER 26 Ca 0.00 0.52 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 1ufg n SER 26 Cb 0.00 1.80 -0.08 0.00 -1.01 0.00 0.00 64.21 64.92 1ufg n SER 26 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ufg s ARG 27 N -2.00 1.04 -0.14 1.43 3.52 -1.26 -5.15 118.95 116.39 1ufg s ARG 27 Ca 0.00 -1.24 -0.04 0.00 -0.13 0.00 0.00 55.73 54.32 1ufg s ARG 27 Cb 0.00 0.33 0.06 0.00 -1.56 0.00 0.00 34.95 33.78 1ufg s ARG 27 CO 0.00 -0.35 0.13 0.45 -0.81 0.00 0.00 175.30 174.72 1ufg s SER 28 N -2.98 1.61 -0.64 -2.12 0.15 -1.26 -5.08 113.70 103.37 1ufg s SER 28 Ca 0.18 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1ufg s SER 28 Cb 0.05 0.03 0.16 0.00 -1.71 0.00 0.00 66.02 64.55 1ufg s SER 28 CO -0.01 -0.31 0.43 -0.44 1.20 0.00 0.00 173.24 174.12 1ufg s SER 29 N 2.22 4.89 0.57 5.45 0.01 -1.26 -5.02 113.70 120.56 1ufg s SER 29 Ca 0.04 -3.30 0.00 0.00 1.31 0.00 0.00 55.95 54.00 1ufg s SER 29 Cb -0.15 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1ufg s SER 29 CO -0.08 -0.22 0.00 0.49 0.41 0.00 0.00 173.24 173.84 1ufg n PHE 30 N 2.79 -4.18 -1.10 2.43 3.72 -1.26 -4.21 117.46 115.64 1ufg n PHE 30 Ca 0.12 2.27 -0.42 0.00 -0.05 0.00 0.00 57.45 59.36 1ufg n PHE 30 Cb 0.35 -3.50 -0.07 0.00 -0.94 0.00 0.00 39.48 35.32 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 -2.55 2.24 -4.32 4.37 2.88 0.52 -4.74 113.62 112.03 1ufg n SER 31 Ca 0.00 -2.64 -0.38 0.00 -1.33 0.00 0.00 58.87 54.52 1ufg n SER 31 Cb 0.45 -1.05 0.03 0.00 -0.75 0.00 0.00 64.21 62.90 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 7.32 0.18 -2.76 -1.46 6.02 -1.26 -3.82 117.38 121.60 1ufg n GLN 32 Ca 0.49 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.51 1ufg n GLN 32 Cb 0.41 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.89 -3.71 -4.04 1.08 8.25 0.52 -4.93 115.22 110.50 1ufg n HIS 33 Ca 0.08 -1.37 -0.23 0.00 -0.26 0.00 0.00 57.72 55.94 1ufg n HIS 33 Cb 0.49 1.48 -0.04 0.00 1.12 0.00 0.00 29.99 33.05 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 0.86 3.74 -0.29 -1.41 0.00 -1.26 -1.33 121.76 122.06 1ufg s ALA 34 Ca 0.30 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ufg s ALA 34 Cb 0.02 -1.51 0.18 0.00 0.00 0.00 0.00 23.12 21.82 1ufg s ALA 34 CO -0.07 0.34 0.52 1.03 0.00 0.00 0.00 175.76 177.57 1ufg s ARG 35 N -3.66 0.50 0.40 0.00 3.00 0.92 -4.95 118.95 115.17 1ufg s ARG 35 Ca 0.33 0.36 -0.23 0.00 0.00 0.00 0.00 55.73 56.19 1ufg s ARG 35 Cb -0.09 0.01 -0.10 0.00 0.00 0.00 0.00 34.95 34.77 1ufg s ARG 35 CO 0.26 -1.05 0.97 0.99 0.00 0.00 0.00 175.30 176.47 1ufg s THR 36 N 2.69 4.22 -0.48 0.02 2.01 -1.26 -1.22 115.64 121.62 1ufg s THR 36 Ca 0.10 1.53 0.06 0.00 0.31 0.00 0.00 61.69 63.69 1ufg s THR 36 Cb -0.11 -3.70 0.18 0.00 0.01 0.00 0.00 72.50 68.88 1ufg s THR 36 CO -0.27 -0.16 0.63 -0.55 -0.69 0.00 0.00 174.62 173.58 1ufg s SER 37 N -1.95 -0.87 0.00 3.53 0.15 0.52 -4.92 113.70 110.16 1ufg s SER 37 Ca 0.59 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1ufg s SER 37 Cb -0.13 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1ufg s SER 37 CO 0.18 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1ufg n GLY 38 N 3.23 -0.40 0.12 9.45 0.00 -1.24 -4.26 105.19 112.10 1ufg n GLY 38 Ca 0.18 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.38 -3.42 1.61 1.74 -1.26 -4.88 116.66 110.83 1ufg n ARG 39 Ca 0.00 0.10 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 1ufg n ARG 39 Cb 0.00 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.31 4.92 0.02 1.55 1.01 -1.26 -0.18 120.40 124.15 1ufg s VAL 40 Ca -0.21 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1ufg s VAL 40 Cb 0.06 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1ufg s VAL 40 CO 0.35 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.65 1ufg s ALA 41 N -1.40 0.81 -0.96 5.51 0.00 0.12 -4.62 121.76 121.23 1ufg s ALA 41 Ca 0.35 -0.56 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 1ufg s ALA 41 Cb -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1ufg s ALA 41 CO 0.18 0.15 1.91 0.08 0.00 0.00 0.00 175.76 178.09 1ufg s VAL 42 N -0.59 3.50 0.04 0.00 1.01 -1.26 -0.83 120.40 122.28 1ufg s VAL 42 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1ufg s VAL 42 Cb -0.06 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1ufg s VAL 42 CO 0.00 -1.03 1.15 -0.08 0.00 0.00 0.00 175.10 175.15 1ufg h GLU 43 N 10.91 -0.01 -2.02 2.72 4.22 -1.55 -3.43 114.58 125.42 1ufg h GLU 43 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1ufg h GLU 43 Cb 0.99 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.03 1ufg h GLU 43 CO 1.23 -0.00 0.04 -2.00 -2.18 0.00 0.00 179.01 176.09 1ufg s GLU 44 N -3.69 0.73 -0.24 1.92 2.56 -0.45 -4.99 118.70 114.54 1ufg s GLU 44 Ca -0.03 1.16 0.02 0.00 0.00 0.00 0.00 54.97 56.12 1ufg s GLU 44 Cb 0.03 0.20 0.05 0.00 2.00 0.00 0.00 34.13 36.41 1ufg s GLU 44 CO 0.17 -0.14 -0.12 0.08 -0.56 0.00 0.00 175.26 174.69 1ufg s VAL 45 N 1.33 2.04 -0.16 3.70 1.01 -1.26 0.07 120.40 127.12 1ufg s VAL 45 Ca -0.08 -1.41 -0.35 0.00 0.00 0.00 0.00 61.98 60.14 1ufg s VAL 45 Cb -0.05 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.10 1ufg s VAL 45 CO -0.15 0.09 1.90 -0.67 0.00 0.00 0.00 175.10 176.27 1ufg n ASP 46 N 4.51 3.09 -0.28 3.32 -0.08 -0.87 -4.81 116.55 121.44 1ufg n ASP 46 Ca -0.15 0.91 0.12 0.00 -1.51 0.00 0.00 54.79 54.16 1ufg n ASP 46 Cb 0.44 -1.32 0.37 0.00 2.34 0.00 0.00 41.12 42.95 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1ufg h GLU 47 N 9.35 0.69 0.00 -0.67 4.11 -1.94 0.55 114.58 126.67 1ufg h GLU 47 Ca -0.46 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 1ufg h GLU 47 Cb 1.29 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ufg h GLU 47 CO 0.96 0.45 -0.06 0.93 0.07 0.00 0.00 179.01 181.36 1ufg h GLU 48 N 0.71 0.00 -0.19 1.06 5.08 -1.87 -3.42 114.58 115.94 1ufg h GLU 48 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1ufg h GLU 48 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ufg h GLU 48 CO -0.22 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.26 1ufg n GLY 49 N -0.97 0.96 0.13 -3.84 0.00 0.19 -3.40 105.19 98.26 1ufg n GLY 49 Ca -0.02 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 0.35 -3.10 1.61 1.57 -1.88 -2.34 116.57 112.77 1ufg h LYS 50 Ca 0.00 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1ufg h LYS 50 Cb 0.64 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.99 1ufg h LYS 50 CO 0.00 1.17 0.14 -0.59 -0.57 0.00 0.00 179.45 179.60 1ufg s PHE 51 N -2.83 -0.44 -0.23 -1.35 -0.12 -1.26 -0.03 117.98 111.72 1ufg s PHE 51 Ca -0.13 0.19 0.02 0.00 -0.05 0.00 0.00 56.93 56.95 1ufg s PHE 51 Cb 0.02 0.49 0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1ufg s PHE 51 CO 0.83 -0.83 -0.12 0.08 -0.05 0.00 0.00 175.22 175.13 1ufg s VAL 52 N -3.77 1.92 -0.26 -2.49 1.01 -0.14 -2.04 120.40 114.64 1ufg s VAL 52 Ca 0.02 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 1ufg s VAL 52 Cb -0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1ufg s VAL 52 CO -0.12 0.11 0.36 -0.13 0.00 0.00 0.00 175.10 175.32 1ufg s ARG 53 N 1.25 4.04 -0.12 2.72 0.52 0.11 0.04 118.95 127.52 1ufg s ARG 53 Ca -0.04 0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1ufg s ARG 53 Cb -0.18 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 1ufg s ARG 53 CO -0.07 -0.21 -0.19 -0.51 0.02 0.00 0.00 175.30 174.33 1ufg s LEU 54 N 1.87 2.36 0.12 2.53 1.43 0.16 -1.34 118.68 125.81 1ufg s LEU 54 Ca 0.15 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1ufg s LEU 54 Cb -0.15 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1ufg s LEU 54 CO 0.09 0.15 -0.25 -0.60 0.23 0.00 0.00 176.35 175.97 1ufg s ARG 55 N 0.40 1.33 -0.01 1.70 3.52 -0.01 0.46 118.95 126.34 1ufg s ARG 55 Ca -0.14 -1.31 -0.09 0.00 -0.13 0.00 0.00 55.73 54.06 1ufg s ARG 55 Cb -0.17 -1.77 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1ufg s ARG 55 CO 0.07 0.42 0.29 1.21 -0.81 0.00 0.00 175.30 176.47 1ufg s ASN 56 N -2.03 6.55 -0.06 -2.12 3.84 0.44 0.14 114.94 121.70 1ufg s ASN 56 Ca 0.12 0.65 0.10 0.00 0.21 0.00 0.00 52.86 53.94 1ufg s ASN 56 Cb -0.10 -2.13 -0.15 0.00 -0.55 0.00 0.00 41.25 38.33 1ufg s ASN 56 CO 0.06 0.29 0.13 0.29 -2.79 0.00 0.00 177.10 175.08 1ufg n LYS 57 N 1.40 1.40 -0.79 0.43 4.76 0.75 -3.33 118.16 122.78 1ufg n LYS 57 Ca -0.13 -0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 54.97 1ufg n LYS 57 Cb 0.53 -1.26 0.22 0.00 -1.84 0.00 0.00 35.03 32.68 1ufg n LYS 57 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ufg s SER 58 N -3.78 1.64 -0.00 4.39 1.04 -1.01 -4.74 113.70 111.24 1ufg s SER 58 Ca -0.05 1.40 0.16 0.00 0.48 0.00 0.00 55.95 57.94 1ufg s SER 58 Cb 0.05 -2.14 -0.18 0.00 0.10 0.00 0.00 66.02 63.85 1ufg s SER 58 CO 0.43 -3.77 0.62 -0.46 0.98 0.00 0.00 173.24 171.04 1ufg n ASN 59 N -4.62 0.82 -4.55 7.02 6.94 -1.26 -3.08 115.26 116.53 1ufg n ASN 59 Ca 0.04 -0.75 -0.35 0.00 -0.02 0.00 0.00 54.58 53.50 1ufg n ASN 59 Cb 0.55 1.10 -0.11 0.00 -2.36 0.00 0.00 39.78 38.96 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ufg s GLU 60 N -2.56 3.82 -0.11 -3.83 2.02 -1.26 -4.62 118.70 112.16 1ufg s GLU 60 Ca 0.04 -0.42 -0.41 0.00 0.02 0.00 0.00 54.97 54.20 1ufg s GLU 60 Cb 0.12 -3.22 -0.20 0.00 0.10 0.00 0.00 34.13 30.93 1ufg s GLU 60 CO 0.64 0.10 1.20 -0.25 0.02 0.00 0.00 175.26 176.97 1ufg n ASP 61 N 4.06 0.34 -4.71 -0.19 9.92 -1.26 -4.45 116.55 120.26 1ufg n ASP 61 Ca -0.16 1.16 -0.36 0.00 -0.53 0.00 0.00 54.79 54.90 1ufg n ASP 61 Cb 0.52 -0.92 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ufg s GLN 62 N 0.72 4.17 -0.20 -1.24 2.00 0.17 -4.89 119.66 120.39 1ufg s GLN 62 Ca 0.94 -0.19 -0.19 0.00 -2.00 0.00 0.00 55.36 53.92 1ufg s GLN 62 Cb -1.31 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 29.02 1ufg s GLN 62 CO 0.62 0.23 0.53 -1.54 -0.50 0.00 0.00 175.29 174.64 1ufg s SER 63 N 0.55 6.58 -0.43 6.67 1.04 -1.26 0.16 113.70 127.01 1ufg s SER 63 Ca 0.09 0.70 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1ufg s SER 63 Cb -0.12 -2.30 0.43 0.00 0.10 0.00 0.00 66.02 64.13 1ufg s SER 63 CO 0.00 -0.19 1.28 0.23 0.98 0.00 0.00 173.24 175.54 1ufg n MET 64 N 4.82 3.40 -1.64 4.02 0.00 -0.23 -4.86 117.12 122.63 1ufg n MET 64 Ca -0.04 -4.21 -0.36 0.00 0.00 0.00 0.00 57.70 53.09 1ufg n MET 64 Cb 0.50 -2.27 -0.03 0.00 0.00 0.00 0.00 33.22 31.43 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 -0.61 4.64 0.00 3.03 0.00 -1.20 -3.51 105.19 107.55 1ufg n GLY 65 Ca 0.44 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 2.29 0.00 -4.11 1.61 5.03 -1.23 -4.50 115.26 114.35 1ufg n ASN 66 Ca 0.65 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.74 1ufg n ASN 66 Cb 0.33 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.16 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 -2.98 -3.91 3.10 7.02 -1.23 -4.40 117.44 115.04 1ufg n TRP 67 Ca 0.00 0.23 -0.09 0.00 -1.02 0.00 0.00 57.50 56.61 1ufg n TRP 67 Cb 0.00 -1.50 -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 -2.49 1.39 -0.11 -0.99 -0.21 0.49 0.58 119.66 118.31 1ufg s GLN 68 Ca 0.44 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.72 1ufg s GLN 68 Cb -0.10 0.46 0.02 0.00 1.00 0.00 0.00 33.01 34.39 1ufg s GLN 68 CO 0.73 -0.57 -0.11 0.42 -2.12 0.00 0.00 175.29 173.65 1ufg s ILE 69 N -3.96 1.24 -0.24 1.08 1.01 0.10 0.31 121.20 120.74 1ufg s ILE 69 Ca 0.17 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 1ufg s ILE 69 Cb 0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1ufg s ILE 69 CO 0.03 0.40 0.55 -0.13 0.00 0.00 0.00 174.94 175.79 1ufg s ARG 70 N 1.37 4.12 -0.26 2.79 0.52 0.22 0.15 118.95 127.85 1ufg s ARG 70 Ca -0.00 0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1ufg s ARG 70 Cb -0.14 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 31.75 1ufg s ARG 70 CO -0.06 -0.31 -0.07 0.50 0.02 0.00 0.00 175.30 175.39 1ufg s ARG 71 N 2.17 2.52 -0.21 3.54 6.06 0.85 -0.03 118.95 133.86 1ufg s ARG 71 Ca 0.24 -1.18 -0.01 0.00 -2.50 0.00 0.00 55.73 52.27 1ufg s ARG 71 Cb -0.16 -2.99 0.06 0.00 0.06 0.00 0.00 34.95 31.92 1ufg s ARG 71 CO 0.09 -0.51 -0.01 -1.14 -2.50 0.00 0.00 175.30 171.23 1ufg s GLN 72 N 1.23 1.11 -0.03 5.12 -0.44 0.29 -1.37 119.66 125.58 1ufg s GLN 72 Ca -0.04 -0.67 0.04 0.00 -2.50 0.00 0.00 55.36 52.19 1ufg s GLN 72 Cb -0.18 -2.32 -0.01 0.00 -1.64 0.00 0.00 33.01 28.86 1ufg s GLN 72 CO -0.04 -0.61 -0.16 -0.80 0.50 0.00 0.00 175.29 174.18 1ufg s ASN 73 N 1.65 1.93 0.00 6.67 0.01 -1.26 0.12 114.94 124.05 1ufg s ASN 73 Ca -0.03 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1ufg s ASN 73 Cb -0.18 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.11 1ufg s ASN 73 CO -0.07 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 1ufg n GLY 74 N 2.93 0.55 3.33 0.66 0.00 -0.94 -2.94 105.19 108.78 1ufg n GLY 74 Ca -0.16 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 1ufg n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ufg n ASP 75 N -3.53 5.16 -3.81 1.61 2.03 -1.26 -4.92 116.55 111.83 1ufg n ASP 75 Ca 0.00 -3.00 -0.17 0.00 0.52 0.00 0.00 54.79 52.14 1ufg n ASP 75 Cb 0.00 -1.56 -0.09 0.00 -0.72 0.00 0.00 41.12 38.75 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ufg s ASP 76 N 2.48 1.22 -0.33 1.67 1.11 -1.15 -5.11 116.67 116.56 1ufg s ASP 76 Ca 0.43 -1.59 -0.29 0.00 0.18 0.00 0.00 52.55 51.28 1ufg s ASP 76 Cb 0.01 0.45 0.00 0.00 1.07 0.00 0.00 42.92 44.45 1ufg s ASP 76 CO 0.01 -0.94 1.36 -2.16 1.18 0.00 0.00 175.17 174.62 1ufg s PRO 77 N -3.77 3.80 0.10 8.23 0.04 -1.26 -4.83 135.00 137.31 1ufg s PRO 77 Ca 0.38 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 1ufg s PRO 77 Cb 0.04 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.55 1ufg s PRO 77 CO 0.20 -1.27 1.79 -1.17 0.04 0.00 0.00 177.00 176.59 1ufg s LEU 78 N 4.77 4.39 -0.16 -3.56 2.96 -1.26 -4.94 118.68 120.87 1ufg s LEU 78 Ca 0.59 2.67 -0.05 0.00 -0.22 0.00 0.00 54.13 57.12 1ufg s LEU 78 Cb -0.16 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1ufg s LEU 78 CO 0.26 -0.98 -0.00 -0.04 -1.32 0.00 0.00 176.35 174.28 1ufg s MET 79 N 2.90 3.75 -0.55 1.98 -1.94 -0.47 -4.94 119.30 120.04 1ufg s MET 79 Ca 0.80 -0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 54.28 1ufg s MET 79 Cb -0.44 -3.02 0.14 0.00 2.01 0.00 0.00 34.83 33.53 1ufg s MET 79 CO 0.36 0.28 0.38 0.99 -0.01 0.00 0.00 175.02 177.01 1ufg s THR 80 N 0.30 3.85 -0.72 2.05 2.01 -1.26 -0.10 115.64 121.78 1ufg s THR 80 Ca -0.01 -2.41 -0.26 0.00 0.31 0.00 0.00 61.69 59.32 1ufg s THR 80 Cb -0.13 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1ufg s THR 80 CO 0.02 -0.82 1.76 -0.47 -0.69 0.00 0.00 174.62 174.43 1ufg s TYR 81 N 0.60 1.84 -0.28 4.92 5.04 0.12 -4.73 117.35 124.86 1ufg s TYR 81 Ca 0.12 0.53 -0.28 0.00 -2.44 0.00 0.00 57.07 54.99 1ufg s TYR 81 Cb -0.21 -4.20 0.01 0.00 0.35 0.00 0.00 41.96 37.91 1ufg s TYR 81 CO -0.03 -2.13 1.03 0.50 -1.34 0.00 0.00 175.55 173.57 1ufg s ARG 82 N 6.71 4.15 1.08 4.97 3.52 -1.26 0.03 118.95 138.14 1ufg s ARG 82 Ca 0.61 1.15 -0.12 0.00 -0.13 0.00 0.00 55.73 57.25 1ufg s ARG 82 Cb -0.10 -3.69 0.23 0.00 -1.56 0.00 0.00 34.95 29.83 1ufg s ARG 82 CO 0.13 -0.76 1.06 -0.06 -0.81 0.00 0.00 175.30 174.87 1ufg s PHE 83 N 3.38 1.63 0.46 5.12 0.08 0.20 -4.95 117.98 123.90 1ufg s PHE 83 Ca 0.43 1.23 -0.21 0.00 0.12 0.00 0.00 56.93 58.50 1ufg s PHE 83 Cb -0.14 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 39.06 1ufg s PHE 83 CO 0.11 -3.41 1.04 -1.25 -0.10 0.00 0.00 175.22 171.61 1ufg s PRO 84 N -4.63 3.91 0.00 0.24 0.04 -1.26 -4.22 135.00 129.08 1ufg s PRO 84 Ca 0.67 1.41 0.13 0.00 0.04 0.00 0.00 61.00 63.25 1ufg s PRO 84 Cb -0.23 -2.23 0.77 0.00 0.04 0.00 0.00 34.50 32.85 1ufg s PRO 84 CO 0.62 -0.35 1.31 -0.35 0.04 0.00 0.00 177.00 178.27 1ufg n PRO 85 N -0.70 0.75 -2.55 0.56 -0.04 -1.26 -3.07 135.00 128.69 1ufg n PRO 85 Ca 0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1ufg n PRO 85 Cb 0.52 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.77 2.57 -4.51 0.54 4.01 -1.26 -4.56 118.16 114.19 1ufg n LYS 86 Ca 0.10 -4.04 -0.22 0.00 -0.51 0.00 0.00 58.31 53.64 1ufg n LYS 86 Cb 0.04 -1.87 -0.14 0.00 -0.51 0.00 0.00 35.03 32.55 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 -3.38 1.35 -0.17 2.13 5.36 -1.17 -5.03 117.98 117.08 1ufg s PHE 87 Ca 0.40 -0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1ufg s PHE 87 Cb 0.42 -0.82 0.08 0.00 -0.34 0.00 0.00 43.02 42.35 1ufg s PHE 87 CO -0.10 0.03 0.18 0.99 -1.46 0.00 0.00 175.22 174.85 1ufg s THR 88 N -0.68 -0.26 -0.85 0.12 2.01 -1.26 -1.07 115.64 113.65 1ufg s THR 88 Ca 0.04 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1ufg s THR 88 Cb -0.07 -0.57 0.10 0.00 0.01 0.00 0.00 72.50 71.96 1ufg s THR 88 CO 0.01 -0.15 1.12 -0.22 -0.69 0.00 0.00 174.62 174.69 1ufg s LEU 89 N 2.28 4.57 1.06 4.42 2.96 0.43 -4.89 118.68 129.52 1ufg s LEU 89 Ca 0.05 -1.57 -0.21 0.00 -0.22 0.00 0.00 54.13 52.18 1ufg s LEU 89 Cb -0.15 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1ufg s LEU 89 CO -0.10 -1.27 -0.54 0.29 -1.32 0.00 0.00 176.35 173.41 1ufg n LYS 90 N 7.32 -0.87 -2.57 1.98 5.02 -1.26 -0.65 118.16 127.13 1ufg n LYS 90 Ca 0.15 -0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1ufg n LYS 90 Cb 0.48 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.15 3.34 0.00 7.82 0.00 -1.26 -2.70 121.76 126.81 1ufg s ALA 91 Ca 0.48 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1ufg s ALA 91 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1ufg s ALA 91 CO 0.67 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1ufg n GLY 92 N 2.09 0.33 3.94 0.00 0.00 -1.18 -4.97 105.19 105.41 1ufg n GLY 92 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.82 1.76 0.05 1.61 1.11 -1.10 -4.77 119.66 117.50 1ufg s GLN 93 Ca 0.00 -0.48 -0.07 0.00 0.01 0.00 0.00 55.36 54.82 1ufg s GLN 93 Cb 0.00 -2.14 -0.01 0.00 -1.01 0.00 0.00 33.01 29.85 1ufg s GLN 93 CO 0.00 -1.53 0.14 0.54 0.01 0.00 0.00 175.29 174.46 1ufg s VAL 94 N -3.35 0.13 -0.01 1.09 0.11 -1.26 -0.42 120.40 116.68 1ufg s VAL 94 Ca 0.64 -1.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1ufg s VAL 94 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1ufg s VAL 94 CO 0.46 -0.59 0.13 0.54 -3.33 0.00 0.00 175.10 172.32 1ufg s VAL 95 N -2.86 0.06 -0.14 2.04 0.11 0.17 -4.74 120.40 115.05 1ufg s VAL 95 Ca -0.03 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1ufg s VAL 95 Cb 0.00 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1ufg s VAL 95 CO -0.06 -0.28 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.36 1ufg s THR 96 N -0.97 1.83 -0.83 5.04 2.01 0.42 0.35 115.64 123.49 1ufg s THR 96 Ca -0.11 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1ufg s THR 96 Cb -0.06 -1.66 0.21 0.00 0.01 0.00 0.00 72.50 71.01 1ufg s THR 96 CO 0.01 0.50 0.72 -0.63 -0.69 0.00 0.00 174.62 174.54 1ufg s ILE 97 N 1.10 4.56 0.89 1.82 1.09 0.11 0.19 121.20 130.96 1ufg s ILE 97 Ca -0.02 -3.35 -0.11 0.00 -1.10 0.00 0.00 60.65 56.07 1ufg s ILE 97 Cb -0.14 -3.85 0.12 0.00 -1.06 0.00 0.00 42.46 37.53 1ufg s ILE 97 CO -0.06 -1.03 1.09 0.26 -0.10 0.00 0.00 174.94 175.10 1ufg s TRP 98 N -0.74 2.30 -0.00 3.97 0.52 0.88 -0.96 118.94 124.91 1ufg s TRP 98 Ca 0.23 1.31 0.00 0.00 0.02 0.00 0.00 56.10 57.66 1ufg s TRP 98 Cb -0.12 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1ufg s TRP 98 CO -0.09 -2.37 0.05 0.00 0.02 0.00 0.00 176.95 174.56 1ufg s ALA 99 N -2.91 3.47 0.20 0.98 0.00 0.95 -0.03 121.76 124.43 1ufg s ALA 99 Ca 0.63 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1ufg s ALA 99 Cb -0.18 -1.49 0.18 0.00 0.00 0.00 0.00 23.12 21.63 1ufg s ALA 99 CO 0.57 0.67 1.43 0.45 0.00 0.00 0.00 175.76 178.88 1ufg n SER 100 N 1.26 -0.66 -4.20 0.00 2.88 0.73 -1.70 113.62 111.92 1ufg n SER 100 Ca -0.14 1.61 -0.44 0.00 -1.33 0.00 0.00 58.87 58.58 1ufg n SER 100 Cb 0.53 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1ufg n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 101 N -1.40 4.35 0.84 0.46 0.00 0.18 -4.35 105.19 105.26 1ufg n GLY 101 Ca 0.08 -2.38 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 1ufg n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 102 N 3.28 2.89 -4.02 4.61 0.00 -0.69 -4.76 120.51 121.83 1ufg n ALA 102 Ca 0.30 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1ufg n ALA 102 Cb 0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 1ufg n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufg n GLY 103 N 0.05 -0.29 0.00 0.00 0.00 -1.26 -4.88 105.19 98.80 1ufg n GLY 103 Ca -0.13 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.12 0.00 -3.38 4.61 0.00 -1.26 -5.13 120.51 111.23 1ufg n ALA 104 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1ufg n ALA 104 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 1.08 -0.52 -0.46 0.00 2.01 -1.26 -5.10 115.64 111.39 1ufg s THR 105 Ca 0.00 -0.16 -0.35 0.00 0.31 0.00 0.00 61.69 61.48 1ufg s THR 105 Cb 0.00 -0.83 -0.13 0.00 0.01 0.00 0.00 72.50 71.55 1ufg s THR 105 CO 0.00 -0.21 2.26 1.57 -0.69 0.00 0.00 174.62 177.55 1ufg n HIS 106 N 5.35 1.39 -3.19 4.92 -0.00 -1.26 -4.68 115.22 117.75 1ufg n HIS 106 Ca -0.03 0.35 -0.21 0.00 0.46 0.00 0.00 57.72 58.29 1ufg n HIS 106 Cb 0.49 -2.48 -0.05 0.00 -0.12 0.00 0.00 29.99 27.83 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 10.11 0.60 -4.79 0.26 7.64 -1.05 -4.97 113.62 121.42 1ufg n SER 107 Ca 0.46 -2.86 -0.29 0.00 1.01 0.00 0.00 58.87 57.19 1ufg n SER 107 Cb 0.19 -0.63 0.13 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.79 1.36 0.24 1.43 0.04 0.21 0.17 135.00 136.65 1ufg s PRO 108 Ca 0.38 0.36 0.25 0.00 0.04 0.00 0.00 61.00 62.03 1ufg s PRO 108 Cb 0.25 -1.86 0.90 0.00 0.04 0.00 0.00 34.50 33.83 1ufg s PRO 108 CO -0.10 -2.06 1.75 -0.35 0.04 0.00 0.00 177.00 176.28 1ufg n PRO 109 N -3.69 0.23 0.00 0.56 -0.04 -1.26 -4.73 135.00 126.08 1ufg n PRO 109 Ca 0.07 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1ufg n PRO 109 Cb 0.59 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.27 0.00 -2.79 0.52 -2.24 -1.18 -4.70 114.28 101.62 1ufg n THR 110 Ca 0.04 0.91 -0.34 0.00 -2.27 0.00 0.00 64.05 62.39 1ufg n THR 110 Cb 0.33 -1.80 -0.07 0.00 -2.10 0.00 0.00 70.33 66.69 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 -2.22 6.94 0.11 3.42 1.11 0.45 -0.43 116.67 126.05 1ufg s ASP 111 Ca 0.00 1.74 -0.02 0.00 0.18 0.00 0.00 52.55 54.45 1ufg s ASP 111 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 1ufg s ASP 111 CO 0.00 -0.36 0.04 -0.76 1.18 0.00 0.00 175.17 175.28 1ufg s LEU 112 N -3.04 1.94 -0.17 1.23 1.43 0.51 0.64 118.68 121.23 1ufg s LEU 112 Ca 0.61 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1ufg s LEU 112 Cb -0.11 0.33 0.05 0.00 0.03 0.00 0.00 46.19 46.49 1ufg s LEU 112 CO 0.15 -0.70 -0.00 -0.69 0.23 0.00 0.00 176.35 175.34 1ufg s VAL 113 N -4.00 0.76 -0.76 -1.59 1.01 -1.26 -0.08 120.40 114.48 1ufg s VAL 113 Ca 0.18 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1ufg s VAL 113 Cb 0.07 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1ufg s VAL 113 CO -0.02 -0.04 1.58 0.86 0.00 0.00 0.00 175.10 177.48 1ufg s TRP 114 N 1.77 2.05 -0.06 5.22 -0.00 0.96 -4.79 118.94 124.09 1ufg s TRP 114 Ca -0.00 0.19 -0.24 0.00 -0.00 0.00 0.00 56.10 56.05 1ufg s TRP 114 Cb -0.16 -4.39 -0.28 0.00 -0.00 0.00 0.00 33.47 28.64 1ufg s TRP 114 CO -0.07 -2.09 0.91 0.87 -0.00 0.00 0.00 176.95 176.57 1ufg h LYS 115 N 11.78 0.22 -1.00 5.86 1.57 -1.94 0.21 116.57 133.27 1ufg h LYS 115 Ca -0.15 -0.33 0.13 0.00 -1.87 0.00 0.00 60.65 58.44 1ufg h LYS 115 Cb 1.08 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 1ufg h LYS 115 CO 1.27 1.12 -0.45 0.00 -0.57 0.00 0.00 179.45 180.81 1ufg n ALA 116 N -2.62 -0.29 -1.98 3.86 0.00 -1.26 -4.47 120.51 113.75 1ufg n ALA 116 Ca -0.12 0.95 -0.24 0.00 0.00 0.00 0.00 53.44 54.03 1ufg n ALA 116 Cb 0.67 -0.34 0.10 0.00 0.00 0.00 0.00 19.45 19.88 1ufg n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ufg s GLN 117 N -5.80 1.71 -0.04 0.00 -1.52 -1.25 -5.03 119.66 107.73 1ufg s GLN 117 Ca -0.13 -0.92 0.11 0.00 -1.95 0.00 0.00 55.36 52.47 1ufg s GLN 117 Cb 0.17 -2.28 -0.16 0.00 -0.22 0.00 0.00 33.01 30.52 1ufg s GLN 117 CO 0.68 -1.45 0.19 0.27 -0.25 0.00 0.00 175.29 174.73 1ufg n ASN 118 N -2.89 2.45 -3.63 5.90 6.94 -1.26 -4.11 115.26 118.66 1ufg n ASN 118 Ca 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.64 1ufg n ASN 118 Cb 0.60 1.31 -0.06 0.00 -2.36 0.00 0.00 39.78 39.27 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ufg s THR 119 N -2.63 0.00 0.20 5.53 -1.32 -1.26 0.52 115.64 116.68 1ufg s THR 119 Ca -0.04 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1ufg s THR 119 Cb 0.06 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.18 1ufg s THR 119 CO 0.45 0.00 1.74 -0.50 -2.21 0.00 0.00 174.62 174.10 1ufg h TRP 120 N 3.03 0.36 0.00 9.09 4.06 -1.74 -3.48 115.95 127.26 1ufg h TRP 120 Ca -0.22 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1ufg h TRP 120 Cb 1.18 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1ufg h TRP 120 CO 0.25 0.09 0.00 0.41 -3.56 0.00 0.00 178.44 175.63 1ufg n GLY 121 N -1.29 4.37 2.49 1.49 0.00 -1.25 -4.93 105.19 106.07 1ufg n GLY 121 Ca 0.08 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 0.69 3.64 0.20 0.00 0.00 -1.26 -4.77 105.19 103.69 1ufg n GLY 123 Ca -0.03 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.38 -3.50 1.61 4.64 -1.95 -3.40 113.55 110.57 1ufg h SER 124 Ca 0.00 0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.74 1ufg h SER 124 Cb 0.00 0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 62.08 1ufg h SER 124 CO 0.00 -0.25 -0.23 -0.44 -0.87 0.00 0.00 176.83 175.03 1ufg s SER 125 N -4.84 6.40 0.06 4.97 0.01 -1.26 -1.26 113.70 117.77 1ufg s SER 125 Ca -0.15 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1ufg s SER 125 Cb 0.05 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1ufg s SER 125 CO 0.64 -0.07 -0.09 -0.76 0.41 0.00 0.00 173.24 173.38 1ufg s LEU 126 N 1.31 2.29 -0.04 2.44 1.43 0.77 -2.21 118.68 124.67 1ufg s LEU 126 Ca 0.18 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1ufg s LEU 126 Cb -0.15 -0.22 0.03 0.00 0.03 0.00 0.00 46.19 45.88 1ufg s LEU 126 CO 0.08 -0.21 0.05 -0.60 0.23 0.00 0.00 176.35 175.89 1ufg s ARG 127 N -1.88 0.06 -0.16 1.70 3.52 0.32 -1.46 118.95 121.04 1ufg s ARG 127 Ca -0.06 0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1ufg s ARG 127 Cb -0.08 -0.57 0.05 0.00 -1.56 0.00 0.00 34.95 32.78 1ufg s ARG 127 CO 0.00 -0.31 -0.02 0.99 -0.81 0.00 0.00 175.30 175.16 1ufg s THR 128 N 2.02 0.83 0.29 4.11 2.01 -0.42 0.10 115.64 124.58 1ufg s THR 128 Ca 0.03 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1ufg s THR 128 Cb -0.12 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 1ufg s THR 128 CO -0.03 0.04 -0.12 0.00 -0.69 0.00 0.00 174.62 173.82 1ufg s ALA 129 N 1.75 2.62 -0.14 7.40 0.00 0.96 0.12 121.76 134.47 1ufg s ALA 129 Ca 0.01 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.05 1ufg s ALA 129 Cb -0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1ufg s ALA 129 CO -0.07 0.10 -0.15 -1.17 0.00 0.00 0.00 175.76 174.46 1ufg s LEU 130 N -3.50 2.53 -0.24 0.00 2.96 0.10 0.69 118.68 121.22 1ufg s LEU 130 Ca 0.30 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1ufg s LEU 130 Cb 0.00 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1ufg s LEU 130 CO 0.14 0.13 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.60 1ufg s ILE 131 N 0.57 2.92 0.56 6.68 -1.09 0.15 -1.10 121.20 129.90 1ufg s ILE 131 Ca -0.09 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1ufg s ILE 131 Cb -0.16 -2.44 0.14 0.00 -1.58 0.00 0.00 42.46 38.42 1ufg s ILE 131 CO 0.04 0.27 0.43 -0.46 -1.23 0.00 0.00 174.94 173.98 1ufg n ASN 132 N 4.69 -2.03 -0.31 3.58 0.23 -0.46 0.19 115.26 121.16 1ufg n ASN 132 Ca -0.17 -0.62 -0.08 0.00 -0.53 0.00 0.00 54.58 53.18 1ufg n ASN 132 Cb 0.48 -0.42 -0.07 0.00 -2.08 0.00 0.00 39.78 37.68 1ufg n ASN 132 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1ufg n SER 133 N -3.95 -0.77 -4.82 0.53 2.88 -1.26 -4.37 113.62 101.87 1ufg n SER 133 Ca 0.06 1.44 -0.31 0.00 -1.33 0.00 0.00 58.87 58.74 1ufg n SER 133 Cb 0.25 -0.24 0.06 0.00 -0.75 0.00 0.00 64.21 63.53 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ufg s THR 134 N -5.03 3.78 -0.60 2.46 -4.23 -1.26 -4.77 115.64 105.99 1ufg s THR 134 Ca -0.09 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 1ufg s THR 134 Cb 0.08 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1ufg s THR 134 CO 0.45 -0.75 1.84 0.61 -0.54 0.00 0.00 174.62 176.22 1ufg n GLY 135 N -2.03 2.64 2.92 3.99 0.00 -1.26 -4.74 105.19 106.70 1ufg n GLY 135 Ca 0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 3.57 0.42 0.14 1.61 2.12 -1.26 -5.04 118.70 120.26 1ufg s GLU 136 Ca 0.30 -0.12 -0.25 0.00 0.36 0.00 0.00 54.97 55.26 1ufg s GLU 136 Cb 0.08 -0.44 -0.08 0.00 0.26 0.00 0.00 34.13 33.96 1ufg s GLU 136 CO -0.02 0.04 0.75 -2.00 -0.54 0.00 0.00 175.26 173.49 1ufg s GLU 137 N 0.21 4.52 -0.14 4.30 2.12 -1.26 -1.35 118.70 127.10 1ufg s GLU 137 Ca -0.02 1.10 0.01 0.00 0.36 0.00 0.00 54.97 56.42 1ufg s GLU 137 Cb -0.05 -3.27 -0.09 0.00 0.26 0.00 0.00 34.13 30.97 1ufg s GLU 137 CO -0.00 0.55 -0.13 1.33 -0.54 0.00 0.00 175.26 176.47 1ufg n VAL 138 N 1.73 0.81 -3.94 3.70 0.24 -0.25 -4.92 118.33 115.69 1ufg n VAL 138 Ca -0.06 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 1ufg n VAL 138 Cb 0.49 -1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.28 0.08 0.10 2.33 0.00 -1.25 0.20 121.76 120.94 1ufg s ALA 139 Ca -0.19 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1ufg s ALA 139 Cb 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1ufg s ALA 139 CO 0.32 -0.10 -0.16 0.00 0.00 0.00 0.00 175.76 175.82 1ufg s MET 140 N -0.94 0.98 -0.33 0.00 0.23 -0.36 0.03 119.30 118.92 1ufg s MET 140 Ca -0.10 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.43 1ufg s MET 140 Cb -0.06 -0.99 0.14 0.00 -1.53 0.00 0.00 34.83 32.39 1ufg s MET 140 CO -0.01 0.21 0.32 0.50 -2.03 0.00 0.00 175.02 174.02 1ufg s ARG 141 N -2.21 0.47 0.14 3.16 3.52 0.33 -0.05 118.95 124.30 1ufg s ARG 141 Ca 0.05 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1ufg s ARG 141 Cb -0.08 -0.73 -0.04 0.00 -1.56 0.00 0.00 34.95 32.54 1ufg s ARG 141 CO 0.03 -1.11 0.30 0.21 -0.81 0.00 0.00 175.30 173.92 1ufg s LYS 142 N 1.88 3.48 -0.14 5.12 2.20 -0.44 -1.30 119.74 130.53 1ufg s LYS 142 Ca 0.13 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.24 1ufg s LYS 142 Cb -0.15 -2.94 0.06 0.00 -1.51 0.00 0.00 37.83 33.29 1ufg s LYS 142 CO -0.18 0.51 0.30 -0.51 -0.36 0.00 0.00 175.35 175.10 1ufg s LEU 143 N -3.03 -0.14 -0.12 5.43 1.02 -0.54 -0.35 118.68 120.95 1ufg s LEU 143 Ca 0.36 0.67 0.01 0.00 0.02 0.00 0.00 54.13 55.19 1ufg s LEU 143 Cb -0.12 0.87 0.02 0.00 0.02 0.00 0.00 46.19 46.99 1ufg s LEU 143 CO 0.28 -0.21 -0.15 -0.69 0.02 0.00 0.00 176.35 175.60 1ufg s VAL 144 N 2.02 1.49 0.36 -1.59 1.01 -1.25 -0.16 120.40 122.28 1ufg s VAL 144 Ca -0.03 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 1ufg s VAL 144 Cb -0.11 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 1ufg s VAL 144 CO -0.10 0.44 1.00 -0.60 0.00 0.00 0.00 175.10 175.85 1ufg s ARG 145 N 1.15 4.39 -1.26 2.72 3.52 -0.39 0.20 118.95 129.28 1ufg s ARG 145 Ca -0.03 1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 56.82 1ufg s ARG 145 Cb -0.14 -2.69 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 1ufg s ARG 145 CO -0.04 0.08 1.84 0.43 -0.81 0.00 0.00 175.30 176.80 1ufg n SER 146 N 0.28 4.22 -4.05 -2.12 7.64 -1.26 -4.85 113.62 113.49 1ufg n SER 146 Ca 0.03 -2.84 -0.18 0.00 1.01 0.00 0.00 58.87 56.89 1ufg n SER 146 Cb 0.50 -1.71 0.09 0.00 -1.01 0.00 0.00 64.21 62.07 1ufg n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufg n GLY 147 N 5.37 0.83 3.81 0.23 0.00 -1.26 -5.08 105.19 109.09 1ufg n GLY 147 Ca 0.48 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1ufg n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufg s PRO 148 N -4.48 3.41 0.25 1.61 0.04 -1.26 -5.05 135.00 129.52 1ufg s PRO 148 Ca 0.52 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1ufg s PRO 148 Cb -0.03 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1ufg s PRO 148 CO 0.34 -0.73 0.56 0.45 0.04 0.00 0.00 177.00 177.66 1ufg s SER 149 N -2.82 6.59 0.11 6.66 0.15 -1.26 -5.03 113.70 118.10 1ufg s SER 149 Ca 0.63 0.90 -0.31 0.00 0.70 0.00 0.00 55.95 57.87 1ufg s SER 149 Cb -0.15 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1ufg s SER 149 CO 0.36 -0.11 1.50 -0.94 1.20 0.00 0.00 173.24 175.25 1ufg s SER 150 N -2.54 6.70 0.00 5.45 1.04 -1.26 -5.35 113.70 117.75 1ufg s SER 150 Ca 0.47 2.44 0.01 0.00 0.48 0.00 0.00 55.95 59.35 1ufg s SER 150 Cb -0.11 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1ufg s SER 150 CO 0.23 -0.76 0.53 0.61 0.98 0.00 0.00 173.24 174.83