#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 -0.03 0.29 1.61 0.15 -1.26 -5.19 113.70 109.27 1ufg s SER 2 Ca 0.00 -0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.44 1ufg s SER 2 Cb 0.00 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1ufg s SER 2 CO 0.00 -0.06 0.78 -0.44 1.20 0.00 0.00 173.24 174.72 1ufg s SER 3 N -2.33 -0.16 0.00 5.45 0.01 -1.26 -5.19 113.70 110.22 1ufg s SER 3 Ca 0.12 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1ufg s SER 3 Cb 0.01 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1ufg s SER 3 CO -0.04 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.84 1ufg n GLY 4 N -0.49 4.41 3.76 3.44 0.00 -1.26 -5.19 105.19 109.86 1ufg n GLY 4 Ca -0.05 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.62 1ufg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufg s SER 5 N 0.55 -0.03 0.13 1.61 0.01 -1.26 -5.19 113.70 109.51 1ufg s SER 5 Ca 0.00 -0.18 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 1ufg s SER 5 Cb 0.00 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.48 1ufg s SER 5 CO 0.00 -0.32 1.06 -0.55 0.41 0.00 0.00 173.24 173.85 1ufg s SER 6 N -3.30 -0.08 0.21 2.44 0.15 -1.26 -5.19 113.70 106.67 1ufg s SER 6 Ca 0.20 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 1ufg s SER 6 Cb 0.03 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 1ufg s SER 6 CO -0.02 -0.79 0.95 0.61 1.20 0.00 0.00 173.24 175.19 1ufg n GLY 7 N -0.58 0.69 3.74 9.45 0.00 -1.26 -5.19 105.19 112.05 1ufg n GLY 7 Ca -0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 1ufg n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ufg s GLN 8 N -2.06 0.90 -0.27 1.61 2.00 -1.26 -5.16 119.66 115.43 1ufg s GLN 8 Ca 0.21 -0.52 -0.04 0.00 -2.00 0.00 0.00 55.36 53.01 1ufg s GLN 8 Cb -0.03 0.29 0.14 0.00 0.80 0.00 0.00 33.01 34.22 1ufg s GLN 8 CO 0.06 -0.41 0.51 0.45 -0.50 0.00 0.00 175.29 175.40 1ufg s SER 9 N -3.08 -0.67 0.59 6.67 0.15 -1.26 -5.17 113.70 110.94 1ufg s SER 9 Ca 0.15 0.84 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 1ufg s SER 9 Cb 0.01 1.74 0.05 0.00 -1.71 0.00 0.00 66.02 66.12 1ufg s SER 9 CO 0.01 -0.26 0.36 0.00 1.20 0.00 0.00 173.24 174.55 1ufg n GLN 10 N 5.41 0.22 -1.35 5.44 6.02 -1.26 -5.13 117.38 126.73 1ufg n GLN 10 Ca -0.05 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 1ufg n GLN 10 Cb 0.50 -0.27 0.00 0.00 1.02 0.00 0.00 30.24 31.49 1ufg n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ufg n GLY 11 N 2.30 4.40 3.02 1.08 0.00 -1.26 -5.19 105.19 109.55 1ufg n GLY 11 Ca 0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 0.92 0.00 -0.02 0.00 -1.26 -5.19 105.19 99.64 1ufg n GLY 12 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.51 3.42 3.64 -0.02 0.00 -1.26 -5.19 105.19 105.26 1ufg n GLY 13 Ca -0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 1.90 -0.30 -0.29 1.61 0.15 -1.26 -5.17 113.70 110.34 1ufg s SER 14 Ca 0.00 -0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.23 1ufg s SER 14 Cb 0.00 0.50 0.16 0.00 -1.71 0.00 0.00 66.02 64.97 1ufg s SER 14 CO 0.00 -0.87 1.08 0.54 1.20 0.00 0.00 173.24 175.19 1ufg s VAL 15 N -3.36 0.00 0.07 4.45 0.11 -1.26 -5.17 120.40 115.24 1ufg s VAL 15 Ca 0.08 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 1ufg s VAL 15 Cb -0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1ufg s VAL 15 CO -0.03 0.00 -0.23 0.28 -3.33 0.00 0.00 175.10 171.79 1ufg s THR 16 N 1.05 1.88 0.25 5.04 -1.32 -1.26 -5.14 115.64 116.14 1ufg s THR 16 Ca -0.06 -1.42 -0.17 0.00 -1.21 0.00 0.00 61.69 58.83 1ufg s THR 16 Cb -0.04 -1.65 0.01 0.00 -1.51 0.00 0.00 72.50 69.32 1ufg s THR 16 CO -0.13 0.16 0.59 -0.54 -2.21 0.00 0.00 174.62 172.49 1ufg s LYS 17 N -1.51 1.61 -0.22 7.08 1.02 -1.26 -5.18 119.74 121.28 1ufg s LYS 17 Ca 0.09 -1.06 -0.27 0.00 0.02 0.00 0.00 55.97 54.76 1ufg s LYS 17 Cb -0.10 0.54 0.11 0.00 -0.52 0.00 0.00 37.83 37.86 1ufg s LYS 17 CO 0.03 -0.70 0.92 -1.59 -0.92 0.00 0.00 175.35 173.08 1ufg s LYS 18 N -3.95 0.66 0.33 1.68 0.00 -1.26 -5.18 119.74 112.02 1ufg s LYS 18 Ca 0.15 0.52 0.04 0.00 0.00 0.00 0.00 55.97 56.68 1ufg s LYS 18 Cb -0.03 0.32 -0.06 0.00 0.00 0.00 0.00 37.83 38.06 1ufg s LYS 18 CO 0.06 -0.13 0.06 0.50 0.00 0.00 0.00 175.35 175.83 1ufg s ARG 19 N -0.25 1.66 -0.39 1.78 6.06 -1.26 -5.12 118.95 121.44 1ufg s ARG 19 Ca -0.00 -1.93 0.02 0.00 -2.50 0.00 0.00 55.73 51.32 1ufg s ARG 19 Cb -0.03 -0.84 0.15 0.00 0.06 0.00 0.00 34.95 34.29 1ufg s ARG 19 CO -0.01 -0.21 0.27 0.15 -2.50 0.00 0.00 175.30 173.00 1ufg s LYS 20 N -3.89 0.77 0.00 5.12 3.01 -1.26 -5.05 119.74 118.44 1ufg s LYS 20 Ca 0.36 -1.71 0.00 0.00 -1.01 0.00 0.00 55.97 53.61 1ufg s LYS 20 Cb 0.08 -1.46 0.00 0.00 -1.01 0.00 0.00 37.83 35.44 1ufg s LYS 20 CO 0.15 -1.28 0.00 1.28 0.51 0.00 0.00 175.35 176.02 1ufg n LEU 21 N 3.51 0.00 0.00 3.17 4.77 -1.26 -5.19 117.00 122.01 1ufg n LEU 21 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1ufg n LEU 21 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ufg n LEU 21 CO 0.13 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.40 1ufg n GLU 22 N 0.00 -0.30 -1.92 3.23 4.07 -1.26 -5.14 120.64 119.32 1ufg n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ufg n GLU 22 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ufg n GLU 22 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ufg n SER 23 N 0.00 -7.44 -3.07 4.31 2.88 -1.26 -5.08 113.62 103.96 1ufg n SER 23 Ca 0.00 1.30 0.05 0.00 -1.33 0.00 0.00 58.87 58.89 1ufg n SER 23 Cb 0.00 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1ufg n SER 23 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ufg s SER 24 N -0.43 -0.08 0.02 -3.46 1.04 -1.26 -5.18 113.70 104.36 1ufg s SER 24 Ca 0.00 0.00 -0.29 0.00 0.48 0.00 0.00 55.95 56.15 1ufg s SER 24 Cb 0.00 0.89 0.10 0.00 0.10 0.00 0.00 66.02 67.12 1ufg s SER 24 CO 0.00 -0.01 1.24 -1.83 0.98 0.00 0.00 173.24 173.61 1ufg s GLU 25 N 2.83 0.55 0.76 4.02 -1.05 -1.26 -5.15 118.70 119.39 1ufg s GLU 25 Ca 0.30 -0.32 -0.16 0.00 -0.15 0.00 0.00 54.97 54.63 1ufg s GLU 25 Cb 0.01 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1ufg s GLU 25 CO -0.21 -0.25 0.35 0.45 0.95 0.00 0.00 175.26 176.55 1ufg n SER 26 N -0.73 -1.90 -4.55 0.83 2.88 -1.26 -4.78 113.62 104.11 1ufg n SER 26 Ca -0.04 0.53 -0.37 0.00 -1.33 0.00 0.00 58.87 57.66 1ufg n SER 26 Cb 0.61 -1.15 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 1ufg n SER 26 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ufg s ARG 27 N -2.67 2.81 0.23 -1.46 1.81 -1.26 -4.76 118.95 113.65 1ufg s ARG 27 Ca 0.62 0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.75 1ufg s ARG 27 Cb -0.33 -4.53 0.00 0.00 -0.45 0.00 0.00 34.95 29.64 1ufg s ARG 27 CO 0.62 -2.68 0.00 0.45 -0.68 0.00 0.00 175.30 173.01 1ufg n SER 28 N 11.93 -4.27 0.00 0.23 2.88 -1.26 -5.02 113.62 118.10 1ufg n SER 28 Ca 0.21 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1ufg n SER 28 Cb 0.50 -2.28 0.00 0.00 -0.75 0.00 0.00 64.21 61.69 1ufg n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ufg n SER 29 N -3.25 0.00 -1.40 -3.46 7.64 -1.26 -5.15 113.62 106.74 1ufg n SER 29 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 1ufg n SER 29 Cb 0.33 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.47 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ufg n PHE 30 N 0.00 -3.52 -2.42 1.43 3.01 -1.26 -4.42 117.46 110.28 1ufg n PHE 30 Ca 0.00 1.93 -0.43 0.00 1.01 0.00 0.00 57.45 59.97 1ufg n PHE 30 Cb 0.00 -3.11 0.00 0.00 -0.01 0.00 0.00 39.48 36.36 1ufg n PHE 30 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ufg n SER 31 N -3.67 5.15 -4.41 4.37 7.64 0.57 -4.86 113.62 118.41 1ufg n SER 31 Ca -0.06 -3.11 -0.37 0.00 1.01 0.00 0.00 58.87 56.34 1ufg n SER 31 Cb 0.54 -1.48 0.05 0.00 -1.01 0.00 0.00 64.21 62.32 1ufg n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ufg n GLN 32 N 3.94 0.31 -2.73 1.43 6.02 -1.26 -3.80 117.38 121.28 1ufg n GLN 32 Ca 0.39 0.13 -0.05 0.00 -0.01 0.00 0.00 57.00 57.46 1ufg n GLN 32 Cb 0.37 -1.65 0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.09 -2.89 -3.91 1.08 8.25 0.43 -4.93 115.22 111.15 1ufg n HIS 33 Ca 0.10 -1.33 -0.22 0.00 -0.26 0.00 0.00 57.72 56.01 1ufg n HIS 33 Cb 0.49 1.42 -0.04 0.00 1.12 0.00 0.00 29.99 32.98 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 0.74 3.74 -0.30 -1.41 0.00 -1.26 -1.09 121.76 122.18 1ufg s ALA 34 Ca 0.29 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 1ufg s ALA 34 Cb 0.12 -1.13 0.19 0.00 0.00 0.00 0.00 23.12 22.30 1ufg s ALA 34 CO -0.13 0.06 0.76 0.50 0.00 0.00 0.00 175.76 176.95 1ufg s ARG 35 N -3.94 0.43 0.36 0.00 3.52 0.15 -4.94 118.95 114.52 1ufg s ARG 35 Ca 0.39 0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 56.43 1ufg s ARG 35 Cb -0.06 0.35 -0.10 0.00 -1.56 0.00 0.00 34.95 33.58 1ufg s ARG 35 CO 0.26 -0.57 0.89 0.99 -0.81 0.00 0.00 175.30 176.06 1ufg s THR 36 N 2.89 4.40 -0.48 4.11 2.01 -1.26 -1.03 115.64 126.28 1ufg s THR 36 Ca 0.14 1.48 0.06 0.00 0.31 0.00 0.00 61.69 63.68 1ufg s THR 36 Cb -0.11 -3.75 0.18 0.00 0.01 0.00 0.00 72.50 68.83 1ufg s THR 36 CO -0.20 -0.10 0.64 -0.44 -0.69 0.00 0.00 174.62 173.83 1ufg s SER 37 N -1.97 -0.88 0.00 3.53 0.01 0.51 -4.92 113.70 109.98 1ufg s SER 37 Ca 0.55 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1ufg s SER 37 Cb -0.13 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1ufg s SER 37 CO 0.18 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ufg n GLY 38 N 3.20 -0.47 0.13 3.44 0.00 -1.24 -4.30 105.19 105.96 1ufg n GLY 38 Ca 0.18 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 0.66 -2.71 1.61 1.74 -1.26 -4.86 116.66 111.84 1ufg n ARG 39 Ca 0.00 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 57.12 1ufg n ARG 39 Cb 0.00 -1.61 0.03 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.51 3.40 -0.13 1.55 1.01 -1.26 -0.99 120.40 121.47 1ufg s VAL 40 Ca -0.31 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1ufg s VAL 40 Cb 0.09 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1ufg s VAL 40 CO 0.63 -0.23 0.41 0.00 0.00 0.00 0.00 175.10 175.91 1ufg s ALA 41 N -2.75 -1.01 -0.97 5.51 0.00 0.72 -4.57 121.76 118.68 1ufg s ALA 41 Ca 0.53 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.28 1ufg s ALA 41 Cb -0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1ufg s ALA 41 CO 0.40 -0.21 2.02 0.08 0.00 0.00 0.00 175.76 178.05 1ufg s VAL 42 N -0.08 3.38 0.04 0.00 1.01 -1.26 -0.94 120.40 122.56 1ufg s VAL 42 Ca -0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1ufg s VAL 42 Cb -0.03 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1ufg s VAL 42 CO 0.01 -0.77 1.09 1.21 0.00 0.00 0.00 175.10 176.65 1ufg n GLU 43 N 8.67 -0.12 -3.64 2.72 0.00 -0.91 -4.70 120.64 122.66 1ufg n GLU 43 Ca 0.42 1.09 -0.09 0.00 0.00 0.00 0.00 57.16 58.58 1ufg n GLU 43 Cb 0.46 -1.62 -0.07 0.00 0.00 0.00 0.00 31.44 30.22 1ufg n GLU 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ufg s GLU 44 N -3.70 0.71 -0.26 5.31 2.56 -0.23 -4.97 118.70 118.11 1ufg s GLU 44 Ca -0.03 1.04 0.03 0.00 0.00 0.00 0.00 54.97 56.00 1ufg s GLU 44 Cb 0.03 0.24 0.06 0.00 2.00 0.00 0.00 34.13 36.46 1ufg s GLU 44 CO 0.17 -0.12 -0.10 0.08 -0.56 0.00 0.00 175.26 174.73 1ufg s VAL 45 N 1.03 2.20 -0.43 3.70 1.01 -1.26 0.06 120.40 126.71 1ufg s VAL 45 Ca -0.05 -1.66 -0.44 0.00 0.00 0.00 0.00 61.98 59.83 1ufg s VAL 45 Cb -0.05 -2.31 -0.18 0.00 0.00 0.00 0.00 36.38 33.84 1ufg s VAL 45 CO -0.11 -0.05 1.78 -0.90 0.00 0.00 0.00 175.10 175.81 1ufg n ASP 46 N 4.43 1.51 0.29 3.32 5.75 -1.06 -4.76 116.55 126.04 1ufg n ASP 46 Ca -0.13 1.02 0.18 0.00 -0.01 0.00 0.00 54.79 55.85 1ufg n ASP 46 Cb 0.42 -0.98 0.77 0.00 -1.03 0.00 0.00 41.12 40.31 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1ufg h GLU 47 N 6.82 0.00 0.00 0.11 4.11 -1.97 -1.43 114.58 122.22 1ufg h GLU 47 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1ufg h GLU 47 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ufg h GLU 47 CO 1.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.47 1ufg n GLU 48 N -3.08 0.13 -1.88 1.06 -0.58 -1.26 -4.60 120.64 110.43 1ufg n GLU 48 Ca 0.00 0.22 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 1ufg n GLU 48 Cb 0.27 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 1ufg n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ufg n GLY 49 N 0.82 -3.48 2.11 0.62 0.00 -0.54 -4.40 105.19 100.33 1ufg n GLY 49 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ufg n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufg n LYS 50 N 0.36 0.00 -4.11 1.61 5.02 -1.26 -4.59 118.16 115.20 1ufg n LYS 50 Ca -0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.15 1ufg n LYS 50 Cb 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.00 1ufg n LYS 50 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ufg s PHE 51 N -2.00 0.63 -0.20 2.13 -0.12 -1.26 0.19 117.98 117.35 1ufg s PHE 51 Ca 0.00 -0.97 0.01 0.00 -0.05 0.00 0.00 56.93 55.91 1ufg s PHE 51 Cb 0.00 -0.42 0.05 0.00 -0.63 0.00 0.00 43.02 42.01 1ufg s PHE 51 CO 0.00 -0.28 -0.09 0.08 -0.05 0.00 0.00 175.22 174.87 1ufg s VAL 52 N -3.62 1.60 -0.21 -2.49 1.01 0.52 -2.55 120.40 114.66 1ufg s VAL 52 Ca 0.07 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1ufg s VAL 52 Cb 0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ufg s VAL 52 CO -0.07 0.12 0.35 -0.13 0.00 0.00 0.00 175.10 175.36 1ufg s ARG 53 N 1.40 4.14 -0.07 2.72 0.52 0.11 -0.24 118.95 127.54 1ufg s ARG 53 Ca -0.02 0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 1ufg s ARG 53 Cb -0.17 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 1ufg s ARG 53 CO -0.08 -0.03 -0.20 -0.51 0.02 0.00 0.00 175.30 174.50 1ufg s LEU 54 N 1.30 1.95 0.08 2.53 1.43 0.15 -1.07 118.68 125.06 1ufg s LEU 54 Ca 0.16 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1ufg s LEU 54 Cb -0.15 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1ufg s LEU 54 CO 0.07 0.16 -0.22 -0.60 0.23 0.00 0.00 176.35 175.99 1ufg s ARG 55 N 0.18 1.28 -0.14 1.70 3.52 -0.12 0.41 118.95 125.78 1ufg s ARG 55 Ca -0.10 -1.11 -0.15 0.00 -0.13 0.00 0.00 55.73 54.24 1ufg s ARG 55 Cb -0.15 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.68 1ufg s ARG 55 CO 0.05 0.37 0.34 1.21 -0.81 0.00 0.00 175.30 176.45 1ufg s ASN 56 N -1.66 6.51 -0.16 -2.12 3.84 0.47 -0.20 114.94 121.63 1ufg s ASN 56 Ca 0.08 0.61 0.16 0.00 0.21 0.00 0.00 52.86 53.91 1ufg s ASN 56 Cb -0.10 -2.21 -0.24 0.00 -0.55 0.00 0.00 41.25 38.15 1ufg s ASN 56 CO 0.04 0.10 0.23 0.29 -2.79 0.00 0.00 177.10 174.97 1ufg n LYS 57 N 3.44 0.67 -1.28 0.43 4.76 -0.46 -2.35 118.16 123.38 1ufg n LYS 57 Ca -0.11 0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 55.07 1ufg n LYS 57 Cb 0.52 -1.60 0.11 0.00 -1.84 0.00 0.00 35.03 32.22 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 -5.69 3.89 0.13 4.39 1.04 -0.17 -4.70 113.70 112.60 1ufg s SER 58 Ca -0.09 2.38 0.24 0.00 0.48 0.00 0.00 55.95 58.96 1ufg s SER 58 Cb 0.07 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 63.93 1ufg s SER 58 CO 0.82 -2.47 1.31 -1.13 0.98 0.00 0.00 173.24 172.76 1ufg h ASN 59 N -0.58 0.00 -3.10 7.02 -1.24 -1.92 -3.08 115.58 112.68 1ufg h ASN 59 Ca -0.47 -0.19 -0.59 0.00 0.71 0.00 0.00 56.30 55.76 1ufg h ASN 59 Cb 1.30 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.31 1ufg h ASN 59 CO 0.48 0.10 -0.34 -1.83 -1.29 0.00 0.00 177.43 174.55 1ufg s GLU 60 N -3.18 3.60 0.07 6.67 -1.05 -1.26 -4.60 118.70 118.95 1ufg s GLU 60 Ca 0.06 -0.12 -0.31 0.00 -0.15 0.00 0.00 54.97 54.45 1ufg s GLU 60 Cb 0.13 -2.90 -0.08 0.00 -0.44 0.00 0.00 34.13 30.83 1ufg s GLU 60 CO 0.72 0.51 1.71 -0.51 0.95 0.00 0.00 175.26 178.64 1ufg s ASP 61 N -2.34 6.56 -0.30 0.83 1.11 -1.26 -3.81 116.67 117.46 1ufg s ASP 61 Ca 0.39 2.53 -0.11 0.00 0.18 0.00 0.00 52.55 55.53 1ufg s ASP 61 Cb -0.12 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 1ufg s ASP 61 CO 0.24 -0.93 0.19 -1.58 1.18 0.00 0.00 175.17 174.28 1ufg s GLN 62 N 2.93 3.74 0.25 8.23 2.00 -0.25 -4.88 119.66 131.67 1ufg s GLN 62 Ca 0.76 -0.47 -0.29 0.00 -2.00 0.00 0.00 55.36 53.37 1ufg s GLN 62 Cb -0.41 -3.67 -0.09 0.00 0.80 0.00 0.00 33.01 29.64 1ufg s GLN 62 CO 0.34 -0.28 0.93 0.45 -0.50 0.00 0.00 175.29 176.23 1ufg s SER 63 N 1.73 7.59 -0.14 6.67 0.15 -1.26 0.30 113.70 128.73 1ufg s SER 63 Ca 0.06 1.92 0.16 0.00 0.70 0.00 0.00 55.95 58.79 1ufg s SER 63 Cb -0.16 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 61.96 1ufg s SER 63 CO 0.10 0.13 1.20 0.23 1.20 0.00 0.00 173.24 176.09 1ufg n MET 64 N 1.35 1.03 -0.87 5.44 0.00 0.33 -4.82 117.12 119.57 1ufg n MET 64 Ca -0.02 -2.82 -0.19 0.00 0.00 0.00 0.00 57.70 54.67 1ufg n MET 64 Cb 0.48 -1.07 -0.07 0.00 0.00 0.00 0.00 33.22 32.55 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 -0.58 3.06 0.00 3.03 0.00 -0.95 -2.60 105.19 107.15 1ufg n GLY 65 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 3.30 0.00 -4.12 1.61 5.03 -1.24 -4.45 115.26 115.39 1ufg n ASN 66 Ca 0.46 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.55 1ufg n ASN 66 Cb 0.42 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.25 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 -3.10 -4.10 3.10 7.02 -1.07 -4.42 117.44 114.86 1ufg n TRP 67 Ca 0.00 0.20 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 1ufg n TRP 67 Cb 0.00 -1.51 -0.08 0.00 -2.42 0.00 0.00 31.31 27.30 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 -2.53 1.24 -0.09 -0.99 -0.21 0.18 0.15 119.66 117.41 1ufg s GLN 68 Ca 0.45 -1.43 -0.00 0.00 0.02 0.00 0.00 55.36 54.39 1ufg s GLN 68 Cb -0.12 0.33 0.02 0.00 1.00 0.00 0.00 33.01 34.25 1ufg s GLN 68 CO 0.74 -0.44 -0.06 0.42 -2.12 0.00 0.00 175.29 173.83 1ufg s ILE 69 N -4.08 0.81 0.03 1.08 1.01 0.28 0.53 121.20 120.86 1ufg s ILE 69 Ca 0.29 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.67 1ufg s ILE 69 Cb 0.05 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1ufg s ILE 69 CO 0.08 0.32 0.33 -0.13 0.00 0.00 0.00 174.94 175.54 1ufg s ARG 70 N 1.59 3.69 -0.29 2.79 0.52 0.26 0.50 118.95 128.01 1ufg s ARG 70 Ca 0.01 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1ufg s ARG 70 Cb -0.13 -3.07 0.14 0.00 0.52 0.00 0.00 34.95 32.41 1ufg s ARG 70 CO -0.05 0.63 0.33 0.50 0.02 0.00 0.00 175.30 176.72 1ufg s ARG 71 N -1.69 0.35 -0.14 3.54 6.06 -0.26 0.50 118.95 127.31 1ufg s ARG 71 Ca 0.28 -0.05 0.02 0.00 -2.50 0.00 0.00 55.73 53.48 1ufg s ARG 71 Cb -0.14 -0.56 0.00 0.00 0.06 0.00 0.00 34.95 34.31 1ufg s ARG 71 CO 0.16 -1.02 -0.19 -1.14 -2.50 0.00 0.00 175.30 170.61 1ufg s GLN 72 N 2.42 3.15 0.08 5.12 -0.44 0.41 -2.03 119.66 128.36 1ufg s GLN 72 Ca 0.09 -0.80 0.10 0.00 -2.50 0.00 0.00 55.36 52.26 1ufg s GLN 72 Cb -0.14 -2.51 -0.03 0.00 -1.64 0.00 0.00 33.01 28.69 1ufg s GLN 72 CO -0.32 0.06 -0.26 -0.80 0.50 0.00 0.00 175.29 174.47 1ufg s ASN 73 N 0.68 3.14 0.30 6.67 0.01 -1.25 0.21 114.94 124.70 1ufg s ASN 73 Ca -0.09 -0.65 -0.26 0.00 -0.71 0.00 0.00 52.86 51.16 1ufg s ASN 73 Cb -0.16 -0.25 -0.15 0.00 0.41 0.00 0.00 41.25 41.10 1ufg s ASN 73 CO 0.02 0.22 0.58 0.61 -1.51 0.00 0.00 177.10 177.01 1ufg n GLY 74 N 1.44 -1.49 5.07 0.66 0.00 -1.19 -2.65 105.19 107.04 1ufg n GLY 74 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.70 0.00 -4.05 1.61 8.00 -1.26 -4.84 116.55 117.71 1ufg n ASP 75 Ca 0.14 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 1ufg n ASP 75 Cb 0.32 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 1ufg n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ufg n ASP 76 N 1.46 -5.31 -3.28 -2.24 8.00 -1.08 -4.94 116.55 109.15 1ufg n ASP 76 Ca 0.00 0.18 -0.21 0.00 0.71 0.00 0.00 54.79 55.47 1ufg n ASP 76 Cb 0.00 -0.79 0.16 0.00 -0.02 0.00 0.00 41.12 40.47 1ufg n ASP 76 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ufg n PRO 77 N 1.98 -1.69 -4.65 -0.24 -0.04 -1.26 -4.48 135.00 124.61 1ufg n PRO 77 Ca -0.01 -1.33 -0.33 0.00 -0.04 0.00 0.00 63.50 61.79 1ufg n PRO 77 Cb 0.58 -1.05 -0.13 0.00 -0.04 0.00 0.00 33.50 32.86 1ufg n PRO 77 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ufg s LEU 78 N 0.00 2.93 0.27 1.53 2.96 -1.26 -3.91 118.68 121.20 1ufg s LEU 78 Ca 0.51 -0.22 0.12 0.00 -0.22 0.00 0.00 54.13 54.31 1ufg s LEU 78 Cb -0.03 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1ufg s LEU 78 CO 0.37 0.20 -0.17 0.00 -1.32 0.00 0.00 176.35 175.43 1ufg s MET 79 N 0.15 1.76 -0.24 1.98 0.23 -0.86 -5.00 119.30 117.31 1ufg s MET 79 Ca -0.05 -1.69 -0.03 0.00 -1.03 0.00 0.00 55.69 52.90 1ufg s MET 79 Cb -0.14 -1.84 0.11 0.00 -1.53 0.00 0.00 34.83 31.42 1ufg s MET 79 CO 0.04 0.34 0.25 0.99 -2.03 0.00 0.00 175.02 174.61 1ufg s THR 80 N -2.39 -0.35 -0.43 3.16 2.01 -1.26 -1.10 115.64 115.28 1ufg s THR 80 Ca 0.29 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 1ufg s THR 80 Cb -0.06 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1ufg s THR 80 CO 0.15 -0.33 0.81 -0.47 -0.69 0.00 0.00 174.62 174.09 1ufg s TYR 81 N 2.33 3.01 -0.25 4.92 5.04 0.18 -4.82 117.35 127.77 1ufg s TYR 81 Ca 0.08 0.29 -0.22 0.00 -2.44 0.00 0.00 57.07 54.79 1ufg s TYR 81 Cb -0.15 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.48 1ufg s TYR 81 CO -0.21 -0.95 0.70 0.50 -1.34 0.00 0.00 175.55 174.25 1ufg s ARG 82 N 3.33 4.14 1.04 4.97 3.52 -1.26 0.10 118.95 134.79 1ufg s ARG 82 Ca 0.32 0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 56.48 1ufg s ARG 82 Cb -0.12 -3.64 0.21 0.00 -1.56 0.00 0.00 34.95 29.84 1ufg s ARG 82 CO 0.22 -0.44 1.07 -0.06 -0.81 0.00 0.00 175.30 175.28 1ufg s PHE 83 N 2.59 1.70 0.44 5.12 0.08 0.12 -4.96 117.98 123.07 1ufg s PHE 83 Ca 0.29 1.30 -0.22 0.00 0.12 0.00 0.00 56.93 58.42 1ufg s PHE 83 Cb -0.15 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 1ufg s PHE 83 CO 0.08 -3.23 1.05 -1.25 -0.10 0.00 0.00 175.22 171.77 1ufg s PRO 84 N -4.66 4.01 0.00 0.24 0.04 -1.26 -4.19 135.00 129.17 1ufg s PRO 84 Ca 0.67 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ufg s PRO 84 Cb -0.22 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1ufg s PRO 84 CO 0.61 -0.27 0.56 -0.35 0.04 0.00 0.00 177.00 177.58 1ufg n PRO 85 N -0.46 0.75 -2.60 0.56 -0.04 -1.26 -2.74 135.00 129.21 1ufg n PRO 85 Ca 0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1ufg n PRO 85 Cb 0.51 -1.19 0.04 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.18 2.21 -4.60 0.54 4.01 -1.26 -4.66 118.16 114.21 1ufg n LYS 86 Ca 0.00 -3.69 -0.23 0.00 -0.51 0.00 0.00 58.31 53.88 1ufg n LYS 86 Cb 0.10 -1.76 -0.16 0.00 -0.51 0.00 0.00 35.03 32.70 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 -3.66 1.33 -0.15 2.13 5.36 -1.11 -5.01 117.98 116.86 1ufg s PHE 87 Ca 0.34 -0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 55.92 1ufg s PHE 87 Cb 0.36 -0.92 0.05 0.00 -0.34 0.00 0.00 43.02 42.18 1ufg s PHE 87 CO -0.02 -0.14 0.04 0.99 -1.46 0.00 0.00 175.22 174.63 1ufg s THR 88 N 0.15 0.35 -0.74 0.12 2.01 -1.26 -0.52 115.64 115.74 1ufg s THR 88 Ca -0.04 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 1ufg s THR 88 Cb -0.10 -0.78 0.08 0.00 0.01 0.00 0.00 72.50 71.71 1ufg s THR 88 CO 0.01 -0.07 1.05 -0.22 -0.69 0.00 0.00 174.62 174.70 1ufg s LEU 89 N 1.95 4.38 1.07 4.42 2.96 0.15 -4.92 118.68 128.68 1ufg s LEU 89 Ca 0.01 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.55 1ufg s LEU 89 Cb -0.15 -2.43 0.06 0.00 0.50 0.00 0.00 46.19 44.17 1ufg s LEU 89 CO -0.07 -1.40 -0.01 0.29 -1.32 0.00 0.00 176.35 173.84 1ufg n LYS 90 N 7.67 -1.16 -2.65 1.98 5.02 -1.26 -1.09 118.16 126.67 1ufg n LYS 90 Ca 0.05 -0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 55.61 1ufg n LYS 90 Cb 0.47 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.25 3.31 0.00 7.82 0.00 -1.25 -2.83 121.76 126.56 1ufg s ALA 91 Ca 0.55 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1ufg s ALA 91 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ufg s ALA 91 CO 0.67 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1ufg n GLY 92 N 2.02 0.69 3.95 0.00 0.00 -0.99 -4.96 105.19 105.91 1ufg n GLY 92 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.26 2.23 0.05 1.61 1.11 -1.13 -4.78 119.66 118.49 1ufg s GLN 93 Ca 0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 55.36 54.83 1ufg s GLN 93 Cb 0.00 -2.29 -0.04 0.00 -1.01 0.00 0.00 33.01 29.67 1ufg s GLN 93 CO 0.00 -1.10 -0.03 0.54 0.01 0.00 0.00 175.29 174.71 1ufg s VAL 94 N -3.07 0.26 -0.04 1.09 0.11 -1.26 -0.40 120.40 117.08 1ufg s VAL 94 Ca 0.60 -1.69 -0.10 0.00 -2.93 0.00 0.00 61.98 57.87 1ufg s VAL 94 Cb -0.10 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1ufg s VAL 94 CO 0.43 -0.91 0.23 0.54 -3.33 0.00 0.00 175.10 172.06 1ufg s VAL 95 N -3.51 0.04 -0.11 2.04 0.11 0.17 -4.71 120.40 114.43 1ufg s VAL 95 Ca 0.04 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1ufg s VAL 95 Cb 0.05 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1ufg s VAL 95 CO -0.08 -0.19 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.41 1ufg s THR 96 N -0.74 1.81 -0.64 5.04 2.01 -0.48 0.33 115.64 122.97 1ufg s THR 96 Ca -0.08 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1ufg s THR 96 Cb -0.05 -1.60 0.16 0.00 0.01 0.00 0.00 72.50 71.03 1ufg s THR 96 CO 0.02 0.50 0.46 -0.63 -0.69 0.00 0.00 174.62 174.28 1ufg s ILE 97 N 0.74 3.72 0.75 1.82 1.09 0.67 0.18 121.20 130.17 1ufg s ILE 97 Ca -0.10 -3.04 -0.11 0.00 -1.10 0.00 0.00 60.65 56.30 1ufg s ILE 97 Cb -0.16 -3.42 0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1ufg s ILE 97 CO 0.01 -0.89 1.08 0.26 -0.10 0.00 0.00 174.94 175.30 1ufg s TRP 98 N -0.16 2.97 -0.01 3.97 0.52 0.13 -0.36 118.94 126.00 1ufg s TRP 98 Ca 0.18 1.28 -0.01 0.00 0.02 0.00 0.00 56.10 57.56 1ufg s TRP 98 Cb -0.20 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 29.08 1ufg s TRP 98 CO -0.04 -1.51 0.11 0.00 0.02 0.00 0.00 176.95 175.53 1ufg s ALA 99 N -3.10 3.69 0.24 0.98 0.00 0.50 0.50 121.76 124.57 1ufg s ALA 99 Ca 0.59 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 1ufg s ALA 99 Cb -0.14 -1.67 0.28 0.00 0.00 0.00 0.00 23.12 21.59 1ufg s ALA 99 CO 0.55 0.71 1.55 0.45 0.00 0.00 0.00 175.76 179.01 1ufg n SER 100 N 1.11 -0.59 -0.08 0.00 2.88 0.10 0.32 113.62 117.36 1ufg n SER 100 Ca -0.12 1.74 -0.07 0.00 -1.33 0.00 0.00 58.87 59.08 1ufg n SER 100 Cb 0.53 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.09 -3.09 0.46 0.00 -0.77 -3.42 103.07 96.17 1ufg h GLY 101 Ca 0.37 0.30 -0.58 0.00 0.00 0.00 0.00 47.33 47.42 1ufg h GLY 101 CO -1.00 -0.20 -0.38 0.00 0.00 0.00 0.00 176.54 174.97 1ufg n ALA 102 N -2.86 -1.12 -0.90 3.60 0.00 0.15 -4.82 120.51 114.55 1ufg n ALA 102 Ca 0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1ufg n ALA 102 Cb 0.30 -1.84 0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 1.76 3.98 0.19 0.00 0.00 -1.26 -4.78 105.19 105.08 1ufg n GLY 103 Ca 0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 0.50 -0.08 -3.68 4.61 0.00 -1.26 -5.10 120.51 115.51 1ufg n ALA 104 Ca 0.29 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1ufg n ALA 104 Cb 0.57 -0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.14 -0.26 -0.75 0.00 2.01 -1.26 -5.07 115.64 109.16 1ufg s THR 105 Ca 0.04 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 1ufg s THR 105 Cb -0.00 -0.34 -0.15 0.00 0.01 0.00 0.00 72.50 72.02 1ufg s THR 105 CO 0.03 0.12 2.41 1.57 -0.69 0.00 0.00 174.62 178.06 1ufg n HIS 106 N 5.11 1.04 -3.30 4.92 -0.00 -1.26 -4.47 115.22 117.25 1ufg n HIS 106 Ca -0.09 0.06 -0.26 0.00 0.46 0.00 0.00 57.72 57.89 1ufg n HIS 106 Cb 0.50 -2.32 -0.07 0.00 -0.12 0.00 0.00 29.99 27.98 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 15.49 2.41 -4.79 0.26 7.64 -0.90 -4.95 113.62 128.78 1ufg n SER 107 Ca 0.49 -3.17 -0.29 0.00 1.01 0.00 0.00 58.87 56.90 1ufg n SER 107 Cb 0.39 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.06 1.26 0.23 1.43 0.04 0.12 0.74 135.00 136.76 1ufg s PRO 108 Ca 0.39 0.34 0.25 0.00 0.04 0.00 0.00 61.00 62.01 1ufg s PRO 108 Cb 0.17 -1.85 0.90 0.00 0.04 0.00 0.00 34.50 33.76 1ufg s PRO 108 CO -0.06 -2.12 1.75 -0.35 0.04 0.00 0.00 177.00 176.26 1ufg n PRO 109 N -3.72 0.23 0.00 0.56 -0.04 -1.26 -4.77 135.00 126.00 1ufg n PRO 109 Ca 0.07 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1ufg n PRO 109 Cb 0.59 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.24 0.00 -2.29 0.52 -2.24 -1.19 -4.69 114.28 102.15 1ufg n THR 110 Ca 0.04 0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 61.88 1ufg n THR 110 Cb 0.33 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.15 6.22 0.15 3.42 1.11 0.23 -1.38 116.67 124.27 1ufg s ASP 111 Ca 0.00 2.27 -0.04 0.00 0.18 0.00 0.00 52.55 54.95 1ufg s ASP 111 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1ufg s ASP 111 CO 0.00 -0.88 0.16 -0.76 1.18 0.00 0.00 175.17 174.87 1ufg s LEU 112 N -3.02 1.40 -0.05 1.23 1.43 0.48 0.15 118.68 120.29 1ufg s LEU 112 Ca 0.63 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1ufg s LEU 112 Cb -0.28 0.68 0.02 0.00 0.03 0.00 0.00 46.19 46.64 1ufg s LEU 112 CO 0.33 -0.81 -0.04 -0.69 0.23 0.00 0.00 176.35 175.37 1ufg s VAL 113 N -4.02 0.58 -0.62 -1.59 1.01 -1.26 0.21 120.40 114.71 1ufg s VAL 113 Ca 0.22 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1ufg s VAL 113 Cb 0.06 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.90 1ufg s VAL 113 CO 0.02 0.25 0.84 0.86 0.00 0.00 0.00 175.10 177.06 1ufg s TRP 114 N 1.11 2.83 -0.07 5.22 -0.00 0.18 -4.86 118.94 123.35 1ufg s TRP 114 Ca -0.08 -0.71 -0.24 0.00 -0.00 0.00 0.00 56.10 55.07 1ufg s TRP 114 Cb -0.14 -4.13 -0.28 0.00 -0.00 0.00 0.00 33.47 28.92 1ufg s TRP 114 CO -0.01 -1.46 0.90 -0.22 -0.00 0.00 0.00 176.95 176.16 1ufg h LYS 115 N 9.37 0.21 -0.97 5.86 3.11 -1.95 0.31 116.57 132.51 1ufg h LYS 115 Ca -0.29 -0.32 0.30 0.00 -2.81 0.00 0.00 60.65 57.53 1ufg h LYS 115 Cb 1.08 0.11 -0.18 0.00 -1.00 0.00 0.00 32.23 32.25 1ufg h LYS 115 CO 1.13 1.12 0.17 0.00 -2.81 0.00 0.00 179.45 179.07 1ufg h ALA 116 N 0.10 1.40 -1.19 5.00 0.00 -2.01 -3.40 119.26 119.17 1ufg h ALA 116 Ca -0.08 0.31 -0.48 0.00 0.00 0.00 0.00 54.91 54.66 1ufg h ALA 116 Cb 1.36 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ufg h ALA 116 CO 0.09 -0.64 -0.25 -0.65 0.00 0.00 0.00 179.25 177.81 1ufg s GLN 117 N -5.89 2.55 -0.04 0.00 -1.52 -1.24 -5.04 119.66 108.48 1ufg s GLN 117 Ca -0.12 -1.52 0.06 0.00 -1.95 0.00 0.00 55.36 51.84 1ufg s GLN 117 Cb 0.30 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 30.44 1ufg s GLN 117 CO 0.78 -0.45 0.08 0.27 -0.25 0.00 0.00 175.29 175.72 1ufg n ASN 118 N -1.87 3.49 -3.51 5.90 0.23 -1.26 -3.85 115.26 114.39 1ufg n ASN 118 Ca 0.08 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.96 1ufg n ASN 118 Cb 0.61 0.96 -0.05 0.00 -2.08 0.00 0.00 39.78 39.22 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ufg s THR 119 N -2.30 0.00 0.09 5.53 -1.32 -1.26 -0.10 115.64 116.28 1ufg s THR 119 Ca -0.03 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.29 1ufg s THR 119 Cb 0.03 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1ufg s THR 119 CO 0.26 0.00 1.44 -0.50 -2.21 0.00 0.00 174.62 173.61 1ufg h TRP 120 N 2.87 0.67 0.00 9.09 4.06 -1.82 -3.48 115.95 127.33 1ufg h TRP 120 Ca -0.28 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1ufg h TRP 120 Cb 1.16 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1ufg h TRP 120 CO 0.36 0.84 0.00 0.41 -3.56 0.00 0.00 178.44 176.49 1ufg n GLY 121 N 0.01 2.49 0.00 1.49 0.00 -1.26 -4.93 105.19 102.99 1ufg n GLY 121 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 5.00 2.71 0.27 0.00 0.00 -1.26 -4.92 105.19 106.98 1ufg n GLY 123 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.57 -3.35 1.61 4.64 -1.93 -3.42 113.55 110.53 1ufg h SER 124 Ca 0.00 0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.78 1ufg h SER 124 Cb 0.00 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 1ufg h SER 124 CO 0.00 -0.37 0.26 -0.55 -0.87 0.00 0.00 176.83 175.30 1ufg s SER 125 N -3.28 7.08 0.01 4.97 0.15 -1.26 -0.23 113.70 121.13 1ufg s SER 125 Ca -0.10 1.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 1ufg s SER 125 Cb 0.01 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1ufg s SER 125 CO 0.29 -0.25 -0.00 -0.76 1.20 0.00 0.00 173.24 173.72 1ufg s LEU 126 N 1.31 2.07 -0.15 3.45 1.43 0.21 -3.16 118.68 123.84 1ufg s LEU 126 Ca 0.41 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1ufg s LEU 126 Cb -0.18 0.11 0.06 0.00 0.03 0.00 0.00 46.19 46.21 1ufg s LEU 126 CO 0.19 -0.17 0.14 -0.60 0.23 0.00 0.00 176.35 176.14 1ufg s ARG 127 N -0.78 0.08 0.32 1.70 3.52 0.13 -0.35 118.95 123.57 1ufg s ARG 127 Ca -0.09 0.20 0.09 0.00 -0.13 0.00 0.00 55.73 55.80 1ufg s ARG 127 Cb -0.05 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.14 1ufg s ARG 127 CO -0.00 -0.55 0.11 0.99 -0.81 0.00 0.00 175.30 175.03 1ufg s THR 128 N 2.23 3.18 0.19 4.11 2.01 0.12 0.16 115.64 127.63 1ufg s THR 128 Ca 0.04 -1.74 -0.23 0.00 0.31 0.00 0.00 61.69 60.07 1ufg s THR 128 Cb -0.15 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.46 1ufg s THR 128 CO -0.09 -0.24 0.67 0.00 -0.69 0.00 0.00 174.62 174.28 1ufg s ALA 129 N -2.39 -1.49 -0.06 7.40 0.00 0.18 -1.02 121.76 124.39 1ufg s ALA 129 Ca 0.36 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1ufg s ALA 129 Cb -0.04 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1ufg s ALA 129 CO 0.22 -0.87 -0.13 -1.17 0.00 0.00 0.00 175.76 173.81 1ufg s LEU 130 N -2.80 1.74 0.08 0.00 2.96 0.14 0.91 118.68 121.72 1ufg s LEU 130 Ca 0.05 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1ufg s LEU 130 Cb -0.03 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1ufg s LEU 130 CO -0.05 0.07 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.31 1ufg s ILE 131 N 0.45 3.30 0.15 6.68 -1.09 0.19 -0.62 121.20 130.25 1ufg s ILE 131 Ca -0.11 -1.19 0.02 0.00 -2.23 0.00 0.00 60.65 57.14 1ufg s ILE 131 Cb -0.14 -2.50 0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1ufg s ILE 131 CO 0.03 0.19 0.21 -0.46 -1.23 0.00 0.00 174.94 173.68 1ufg n ASN 132 N 0.97 0.52 -0.33 3.58 0.23 -0.63 0.48 115.26 120.08 1ufg n ASN 132 Ca -0.14 -1.38 0.02 0.00 -0.53 0.00 0.00 54.58 52.55 1ufg n ASN 132 Cb 0.52 -0.11 0.08 0.00 -2.08 0.00 0.00 39.78 38.19 1ufg n ASN 132 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ufg n SER 133 N -2.85 -0.44 -4.89 0.53 3.41 -1.26 -4.32 113.62 103.80 1ufg n SER 133 Ca 0.04 1.52 -0.29 0.00 -0.26 0.00 0.00 58.87 59.88 1ufg n SER 133 Cb 0.15 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ufg s THR 134 N -5.97 4.85 -0.58 6.66 -4.23 -1.26 -4.74 115.64 110.38 1ufg s THR 134 Ca -0.13 0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.69 1ufg s THR 134 Cb 0.21 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 1ufg s THR 134 CO 0.65 -0.77 1.75 0.61 -0.54 0.00 0.00 174.62 176.33 1ufg n GLY 135 N -1.98 2.40 2.95 3.99 0.00 -1.26 -4.73 105.19 106.56 1ufg n GLY 135 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 4.47 0.11 0.29 1.61 2.12 -1.26 -5.03 118.70 121.01 1ufg s GLU 136 Ca 0.36 0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.66 1ufg s GLU 136 Cb 0.09 -0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.34 1ufg s GLU 136 CO 0.04 -0.08 0.95 -2.00 -0.54 0.00 0.00 175.26 173.64 1ufg s GLU 137 N 0.54 4.67 -0.10 4.30 2.12 -1.26 -1.61 118.70 127.36 1ufg s GLU 137 Ca -0.04 1.42 0.05 0.00 0.36 0.00 0.00 54.97 56.76 1ufg s GLU 137 Cb -0.06 -2.99 -0.10 0.00 0.26 0.00 0.00 34.13 31.25 1ufg s GLU 137 CO -0.02 0.35 -0.03 1.33 -0.54 0.00 0.00 175.26 176.35 1ufg n VAL 138 N 0.91 0.66 -3.92 3.70 0.24 0.21 -4.93 118.33 115.20 1ufg n VAL 138 Ca 0.00 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 1ufg n VAL 138 Cb 0.49 -0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.23 -0.10 0.04 2.33 0.00 -1.24 0.19 121.76 120.76 1ufg s ALA 139 Ca -0.09 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1ufg s ALA 139 Cb 0.03 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1ufg s ALA 139 CO 0.34 -0.32 -0.10 0.00 0.00 0.00 0.00 175.76 175.69 1ufg s MET 140 N -2.55 0.63 -0.30 0.00 0.23 -0.19 -0.68 119.30 116.44 1ufg s MET 140 Ca -0.05 -0.73 -0.03 0.00 -1.03 0.00 0.00 55.69 53.85 1ufg s MET 140 Cb -0.01 -0.51 0.11 0.00 -1.53 0.00 0.00 34.83 32.89 1ufg s MET 140 CO -0.04 0.11 0.17 0.50 -2.03 0.00 0.00 175.02 173.73 1ufg s ARG 141 N -1.38 0.26 -0.13 3.16 6.06 -0.19 0.33 118.95 127.07 1ufg s ARG 141 Ca -0.05 -0.58 -0.06 0.00 -2.50 0.00 0.00 55.73 52.53 1ufg s ARG 141 Cb -0.09 -1.10 -0.04 0.00 0.06 0.00 0.00 34.95 33.79 1ufg s ARG 141 CO 0.01 -1.05 0.09 0.21 -2.50 0.00 0.00 175.30 172.06 1ufg s LYS 142 N 1.99 3.51 -0.11 5.12 2.36 -0.25 0.10 119.74 132.47 1ufg s LYS 142 Ca 0.10 -0.25 -0.04 0.00 -2.55 0.00 0.00 55.97 53.24 1ufg s LYS 142 Cb -0.17 -3.12 0.05 0.00 -1.05 0.00 0.00 37.83 33.55 1ufg s LYS 142 CO -0.31 0.61 0.17 -0.51 1.55 0.00 0.00 175.35 176.86 1ufg s LEU 143 N -0.57 -0.08 0.10 5.43 1.02 0.53 0.16 118.68 125.27 1ufg s LEU 143 Ca 0.11 0.25 0.08 0.00 0.02 0.00 0.00 54.13 54.60 1ufg s LEU 143 Cb -0.12 0.30 -0.03 0.00 0.02 0.00 0.00 46.19 46.35 1ufg s LEU 143 CO 0.02 -0.26 -0.21 0.54 0.02 0.00 0.00 176.35 176.46 1ufg s VAL 144 N 2.30 1.75 0.22 -1.59 0.11 -1.25 0.65 120.40 122.59 1ufg s VAL 144 Ca 0.03 -1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1ufg s VAL 144 Cb -0.13 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 1ufg s VAL 144 CO -0.07 -0.03 0.40 -0.60 -3.33 0.00 0.00 175.10 171.47 1ufg s ARG 145 N -1.88 3.52 -0.68 1.54 3.52 0.68 0.21 118.95 125.86 1ufg s ARG 145 Ca 0.07 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1ufg s ARG 145 Cb -0.10 -2.82 0.17 0.00 -1.56 0.00 0.00 34.95 30.63 1ufg s ARG 145 CO 0.04 0.38 0.47 -1.12 -0.81 0.00 0.00 175.30 174.26 1ufg s SER 146 N -3.27 4.91 0.53 -2.12 0.01 -1.26 -4.76 113.70 107.74 1ufg s SER 146 Ca 0.38 -3.52 0.03 0.00 1.31 0.00 0.00 55.95 54.16 1ufg s SER 146 Cb -0.11 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.43 1ufg s SER 146 CO 0.30 -0.17 0.19 -0.83 0.41 0.00 0.00 173.24 173.14 1ufg s GLY 147 N -0.74 2.74 0.43 3.44 0.00 -1.26 -5.04 107.32 106.89 1ufg s GLY 147 Ca 0.22 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 1ufg s GLY 147 CO -0.10 -2.08 1.05 2.56 0.00 0.00 0.00 173.10 174.52 1ufg s PRO 148 N -4.07 4.01 -0.40 2.90 0.04 -1.26 -5.02 135.00 131.20 1ufg s PRO 148 Ca 0.18 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ufg s PRO 148 Cb -0.00 -2.36 0.19 0.00 0.04 0.00 0.00 34.50 32.37 1ufg s PRO 148 CO 0.11 -0.26 0.86 -1.54 0.04 0.00 0.00 177.00 176.21 1ufg s SER 149 N -1.73 -0.94 0.32 6.66 1.04 -1.26 -5.16 113.70 112.63 1ufg s SER 149 Ca 0.62 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 56.39 1ufg s SER 149 Cb -0.20 1.21 -0.05 0.00 0.10 0.00 0.00 66.02 67.08 1ufg s SER 149 CO 0.24 -0.07 -0.01 -0.94 0.98 0.00 0.00 173.24 173.44 1ufg s SER 150 N 1.48 4.16 0.00 7.02 1.04 -1.26 -5.32 113.70 120.82 1ufg s SER 150 Ca 0.20 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1ufg s SER 150 Cb 0.02 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1ufg s SER 150 CO -0.09 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.56