#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 -0.07 -0.30 1.61 0.15 -1.26 -5.16 113.70 108.67 1ufg s SER 2 Ca 0.00 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.36 1ufg s SER 2 Cb 0.00 0.09 0.18 0.00 -1.71 0.00 0.00 66.02 64.58 1ufg s SER 2 CO 0.00 -0.01 1.38 -0.55 1.20 0.00 0.00 173.24 175.26 1ufg s SER 3 N 1.77 -0.10 0.00 5.45 0.15 -1.26 -5.15 113.70 114.56 1ufg s SER 3 Ca 0.16 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1ufg s SER 3 Cb 0.07 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1ufg s SER 3 CO -0.15 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ufg n GLY 4 N 1.82 -0.71 3.33 9.45 0.00 -1.26 -5.17 105.19 112.65 1ufg n GLY 4 Ca -0.11 0.88 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 1ufg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufg s SER 5 N 0.00 -0.49 0.02 1.61 0.15 -1.26 -5.17 113.70 108.57 1ufg s SER 5 Ca 0.00 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 1ufg s SER 5 Cb 0.00 0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1ufg s SER 5 CO 0.00 -0.17 0.10 -0.94 1.20 0.00 0.00 173.24 173.43 1ufg s SER 6 N 0.56 0.13 0.00 5.45 1.04 -1.26 -5.12 113.70 114.49 1ufg s SER 6 Ca -0.03 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1ufg s SER 6 Cb -0.04 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ufg s SER 6 CO -0.03 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1ufg n GLY 7 N 1.10 2.30 3.12 7.32 0.00 -1.26 -5.18 105.19 112.59 1ufg n GLY 7 Ca -0.21 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1ufg n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 8 N -0.48 0.68 0.05 1.61 -0.21 -1.26 -5.16 119.66 114.90 1ufg s GLN 8 Ca 0.00 -0.90 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 1ufg s GLN 8 Cb 0.00 -0.51 0.08 0.00 1.00 0.00 0.00 33.01 33.58 1ufg s GLN 8 CO 0.00 0.10 0.69 0.45 -2.12 0.00 0.00 175.29 174.41 1ufg s SER 9 N -1.80 -0.56 -0.01 5.90 0.15 -1.26 -5.18 113.70 110.94 1ufg s SER 9 Ca -0.04 0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.56 1ufg s SER 9 Cb -0.09 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.86 1ufg s SER 9 CO 0.01 -0.77 1.07 -1.10 1.20 0.00 0.00 173.24 173.65 1ufg s GLN 10 N -2.70 0.70 -0.29 5.44 -0.21 -1.26 -5.14 119.66 116.20 1ufg s GLN 10 Ca -0.02 -0.33 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 1ufg s GLN 10 Cb -0.01 0.28 0.13 0.00 1.00 0.00 0.00 33.01 34.41 1ufg s GLN 10 CO -0.04 -0.32 0.28 0.20 -2.12 0.00 0.00 175.29 173.29 1ufg s GLY 11 N -2.65 -0.09 0.00 3.09 0.00 -1.26 -5.11 107.32 101.30 1ufg s GLY 11 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1ufg s GLY 11 CO -0.04 2.60 0.00 0.61 0.00 0.00 0.00 173.10 176.27 1ufg n GLY 12 N 5.31 4.70 0.00 0.20 0.00 -1.26 -5.19 105.19 108.94 1ufg n GLY 12 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 3.67 0.21 -0.02 0.00 -1.26 -5.01 105.19 102.78 1ufg n GLY 13 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1ufg n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ufg h SER 14 N 0.00 -0.37 -6.19 1.61 0.02 -2.09 -3.49 113.55 103.05 1ufg h SER 14 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1ufg h SER 14 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ufg h SER 14 CO 0.00 0.08 -1.00 0.52 -1.14 0.00 0.00 176.83 175.29 1ufg n VAL 15 N -5.07 -3.57 -0.57 2.27 0.31 -1.26 -4.89 118.33 105.56 1ufg n VAL 15 Ca -0.06 0.70 -0.28 0.00 -0.01 0.00 0.00 64.34 64.68 1ufg n VAL 15 Cb 0.20 -3.61 0.26 0.00 -0.91 0.00 0.00 33.84 29.77 1ufg n VAL 15 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1ufg s THR 16 N -1.11 1.98 0.14 2.52 -4.23 -1.26 -5.03 115.64 108.66 1ufg s THR 16 Ca 0.01 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1ufg s THR 16 Cb -0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1ufg s THR 16 CO 0.14 0.00 -0.00 -0.75 -0.54 0.00 0.00 174.62 173.46 1ufg s LYS 17 N -4.49 2.44 0.26 3.99 2.20 -1.26 -5.04 119.74 117.83 1ufg s LYS 17 Ca 0.68 -1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 1ufg s LYS 17 Cb -0.24 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1ufg s LYS 17 CO 0.64 0.48 0.33 0.21 -0.36 0.00 0.00 175.35 176.66 1ufg s LYS 18 N -2.71 1.52 -0.10 4.03 2.47 -1.26 -5.06 119.74 118.62 1ufg s LYS 18 Ca 0.27 -1.56 -0.07 0.00 -1.56 0.00 0.00 55.97 53.04 1ufg s LYS 18 Cb -0.10 0.38 0.03 0.00 -1.46 0.00 0.00 37.83 36.68 1ufg s LYS 18 CO 0.18 -0.58 0.14 0.54 0.16 0.00 0.00 175.35 175.79 1ufg n ARG 19 N -0.40 -4.08 -3.83 4.03 1.74 -1.26 -5.01 116.66 107.85 1ufg n ARG 19 Ca 0.01 3.06 -0.27 0.00 -0.77 0.00 0.00 57.85 59.89 1ufg n ARG 19 Cb 0.63 -4.16 -0.17 0.00 -1.02 0.00 0.00 32.46 27.74 1ufg n ARG 19 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ufg s LYS 20 N -0.52 1.09 -0.13 5.56 -0.14 -1.26 -5.12 119.74 119.22 1ufg s LYS 20 Ca -0.16 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.00 1ufg s LYS 20 Cb 0.01 -1.75 0.04 0.00 -1.68 0.00 0.00 37.83 34.45 1ufg s LYS 20 CO 0.45 -0.43 0.35 -1.17 -0.76 0.00 0.00 175.35 173.79 1ufg s LEU 21 N 1.77 0.62 -0.12 3.17 2.96 -1.26 -5.16 118.68 120.65 1ufg s LEU 21 Ca 0.02 0.71 -0.27 0.00 -0.22 0.00 0.00 54.13 54.37 1ufg s LEU 21 Cb -0.15 1.20 0.07 0.00 0.50 0.00 0.00 46.19 47.81 1ufg s LEU 21 CO -0.07 -0.13 0.66 -1.61 -1.32 0.00 0.00 176.35 173.88 1ufg s GLU 22 N 0.27 0.93 0.06 1.98 8.01 -1.26 -5.17 118.70 123.52 1ufg s GLU 22 Ca -0.01 0.49 0.06 0.00 0.01 0.00 0.00 54.97 55.52 1ufg s GLU 22 Cb -0.03 0.44 -0.03 0.00 -4.31 0.00 0.00 34.13 30.21 1ufg s GLU 22 CO -0.00 -0.23 -0.17 -1.12 0.01 0.00 0.00 175.26 173.75 1ufg s SER 23 N -0.62 2.00 -1.02 -0.19 0.01 -1.26 -5.07 113.70 107.55 1ufg s SER 23 Ca -0.07 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 1ufg s SER 23 Cb -0.02 -0.13 0.31 0.00 0.21 0.00 0.00 66.02 66.39 1ufg s SER 23 CO 0.06 0.05 1.45 -1.54 0.41 0.00 0.00 173.24 173.67 1ufg n SER 24 N 1.66 6.27 -4.67 2.44 3.41 -1.26 -5.00 113.62 116.46 1ufg n SER 24 Ca -0.19 -3.46 -0.35 0.00 -0.26 0.00 0.00 58.87 54.62 1ufg n SER 24 Cb 0.54 -1.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 1ufg n SER 24 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ufg s GLU 25 N -2.99 4.02 -0.00 4.33 0.41 -1.26 -5.02 118.70 118.18 1ufg s GLU 25 Ca 0.33 -0.30 -0.00 0.00 -0.41 0.00 0.00 54.97 54.59 1ufg s GLU 25 Cb 0.08 -3.27 -0.00 0.00 -1.78 0.00 0.00 34.13 29.16 1ufg s GLU 25 CO 0.06 0.30 -0.00 0.77 -0.49 0.00 0.00 175.26 175.91 1ufg h SER 26 N 6.61 0.00 -3.90 -0.19 0.02 -2.04 -3.51 113.55 110.54 1ufg h SER 26 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1ufg h SER 26 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ufg h SER 26 CO 0.72 0.02 -0.90 0.54 -1.14 0.00 0.00 176.83 176.07 1ufg n ARG 27 N -2.16 -3.95 -2.47 3.45 1.74 -1.26 -4.71 116.66 107.30 1ufg n ARG 27 Ca -0.00 3.04 -0.43 0.00 -0.77 0.00 0.00 57.85 59.69 1ufg n ARG 27 Cb 0.00 -3.73 -0.02 0.00 -1.02 0.00 0.00 32.46 27.69 1ufg n ARG 27 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ufg s SER 28 N -4.89 6.65 -0.26 0.55 0.15 -1.26 -4.94 113.70 109.69 1ufg s SER 28 Ca 0.00 1.00 -0.32 0.00 0.70 0.00 0.00 55.95 57.33 1ufg s SER 28 Cb 0.00 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 1ufg s SER 28 CO 0.00 -1.14 1.31 -0.94 1.20 0.00 0.00 173.24 173.67 1ufg s SER 29 N 2.76 -0.07 0.61 5.45 1.04 -1.26 -5.15 113.70 117.08 1ufg s SER 29 Ca 0.54 0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 1ufg s SER 29 Cb -0.14 0.07 -0.14 0.00 0.10 0.00 0.00 66.02 65.90 1ufg s SER 29 CO 0.25 -0.09 -0.30 0.49 0.98 0.00 0.00 173.24 174.57 1ufg n PHE 30 N 0.31 -3.40 -0.96 5.02 3.72 -1.26 -4.58 117.46 116.31 1ufg n PHE 30 Ca 0.01 0.31 -0.43 0.00 -0.05 0.00 0.00 57.45 57.28 1ufg n PHE 30 Cb 0.58 -1.56 -0.07 0.00 -0.94 0.00 0.00 39.48 37.49 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 2.67 2.09 -4.48 4.37 2.88 0.58 -4.75 113.62 116.99 1ufg n SER 31 Ca 0.05 -2.62 -0.39 0.00 -1.33 0.00 0.00 58.87 54.58 1ufg n SER 31 Cb 0.48 -0.93 0.03 0.00 -0.75 0.00 0.00 64.21 63.03 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 7.25 0.60 -2.74 -1.46 6.02 -1.26 -3.71 117.38 122.07 1ufg n GLN 32 Ca 0.49 0.23 -0.04 0.00 -0.01 0.00 0.00 57.00 57.66 1ufg n GLN 32 Cb 0.40 -1.68 0.02 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 -1.36 -3.31 -4.01 1.08 8.25 0.13 -4.94 115.22 111.07 1ufg n HIS 33 Ca 0.11 -1.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.07 1ufg n HIS 33 Cb 0.45 1.44 -0.03 0.00 1.12 0.00 0.00 29.99 32.96 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 3.81 -0.27 -1.41 0.00 -1.26 -0.44 121.76 123.05 1ufg s ALA 34 Ca 0.29 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1ufg s ALA 34 Cb 0.04 -1.57 0.16 0.00 0.00 0.00 0.00 23.12 21.76 1ufg s ALA 34 CO -0.08 0.23 0.49 1.03 0.00 0.00 0.00 175.76 177.43 1ufg s ARG 35 N -3.94 0.46 0.34 0.00 3.00 0.13 -4.90 118.95 114.04 1ufg s ARG 35 Ca 0.34 0.69 -0.17 0.00 0.00 0.00 0.00 55.73 56.59 1ufg s ARG 35 Cb -0.09 0.01 -0.09 0.00 0.00 0.00 0.00 34.95 34.78 1ufg s ARG 35 CO 0.28 -0.70 0.79 0.99 0.00 0.00 0.00 175.30 176.66 1ufg s THR 36 N 2.69 4.59 -0.48 0.02 2.01 -1.26 -0.85 115.64 122.37 1ufg s THR 36 Ca 0.16 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.35 1ufg s THR 36 Cb -0.15 -3.64 0.18 0.00 0.01 0.00 0.00 72.50 68.91 1ufg s THR 36 CO -0.20 -0.17 0.63 -0.55 -0.69 0.00 0.00 174.62 173.64 1ufg s SER 37 N -2.18 -0.86 0.00 3.53 0.15 0.49 -4.92 113.70 109.92 1ufg s SER 37 Ca 0.55 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1ufg s SER 37 Cb -0.11 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1ufg s SER 37 CO 0.17 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ufg n GLY 38 N 3.24 -0.42 0.13 9.45 0.00 -1.24 -4.30 105.19 112.04 1ufg n GLY 38 Ca 0.18 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 0.67 -2.63 1.61 1.74 -1.26 -4.86 116.66 111.93 1ufg n ARG 39 Ca 0.00 0.16 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 1ufg n ARG 39 Cb 0.00 -1.54 0.03 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.52 3.52 -0.18 1.55 1.01 -1.26 -0.42 120.40 122.10 1ufg s VAL 40 Ca -0.32 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1ufg s VAL 40 Cb 0.09 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1ufg s VAL 40 CO 0.63 -0.31 0.44 0.00 0.00 0.00 0.00 175.10 175.86 1ufg s ALA 41 N -2.82 -1.13 -0.81 5.51 0.00 0.93 -4.56 121.76 118.88 1ufg s ALA 41 Ca 0.53 1.53 -0.26 0.00 0.00 0.00 0.00 51.96 53.76 1ufg s ALA 41 Cb -0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 23.12 21.97 1ufg s ALA 41 CO 0.41 -0.26 2.36 0.08 0.00 0.00 0.00 175.76 178.36 1ufg s VAL 42 N 1.12 3.05 0.00 0.00 1.01 -1.26 -1.20 120.40 123.11 1ufg s VAL 42 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1ufg s VAL 42 Cb -0.07 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1ufg s VAL 42 CO -0.10 -0.11 0.92 1.21 0.00 0.00 0.00 175.10 177.02 1ufg n GLU 43 N 8.82 0.00 -3.67 2.72 0.00 -0.81 -4.76 120.64 122.93 1ufg n GLU 43 Ca 0.46 0.85 -0.13 0.00 0.00 0.00 0.00 57.16 58.35 1ufg n GLU 43 Cb 0.43 -1.42 -0.08 0.00 0.00 0.00 0.00 31.44 30.37 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 -2.68 0.68 -0.13 5.31 2.56 -0.34 -4.98 118.70 119.12 1ufg s GLU 44 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 54.97 55.86 1ufg s GLU 44 Cb 0.00 0.29 0.02 0.00 2.00 0.00 0.00 34.13 36.44 1ufg s GLU 44 CO 0.00 -0.10 -0.14 0.08 -0.56 0.00 0.00 175.26 174.54 1ufg s VAL 45 N 0.55 1.48 -0.23 3.70 1.01 -1.26 0.14 120.40 125.80 1ufg s VAL 45 Ca -0.02 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.04 1ufg s VAL 45 Cb -0.05 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1ufg s VAL 45 CO -0.03 0.44 2.15 -0.67 0.00 0.00 0.00 175.10 176.99 1ufg n ASP 46 N 4.55 2.93 0.30 3.32 -0.08 -0.95 -4.77 116.55 121.85 1ufg n ASP 46 Ca -0.17 0.42 0.19 0.00 -1.51 0.00 0.00 54.79 53.72 1ufg n ASP 46 Cb 0.51 -1.42 0.99 0.00 2.34 0.00 0.00 41.12 43.54 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 13.04 0.00 0.00 -0.67 4.11 -1.98 0.39 114.58 129.47 1ufg h GLU 47 Ca -0.38 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.95 1ufg h GLU 47 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1ufg h GLU 47 CO 0.98 0.00 -0.49 0.93 0.07 0.00 0.00 179.01 180.50 1ufg h GLU 48 N 0.00 0.00 -1.78 1.06 4.39 -1.91 -3.44 114.58 112.90 1ufg h GLU 48 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ufg h GLU 48 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ufg h GLU 48 CO -0.00 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1ufg n GLY 49 N 0.46 0.80 0.41 -3.84 0.00 0.14 -4.35 105.19 98.80 1ufg n GLY 49 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.84 0.03 -3.72 1.61 5.02 -1.26 -2.81 118.16 116.18 1ufg n LYS 50 Ca 0.00 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1ufg n LYS 50 Cb 0.30 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 34.43 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 -2.02 -0.06 -0.21 2.13 -0.12 -1.26 0.41 117.98 116.84 1ufg s PHE 51 Ca -0.02 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 1ufg s PHE 51 Cb 0.01 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.59 1ufg s PHE 51 CO 0.03 -0.66 -0.10 0.08 -0.05 0.00 0.00 175.22 174.52 1ufg s VAL 52 N -3.83 1.68 -0.25 -2.49 1.01 -0.14 -2.23 120.40 114.15 1ufg s VAL 52 Ca 0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1ufg s VAL 52 Cb 0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1ufg s VAL 52 CO -0.11 0.13 0.29 -0.13 0.00 0.00 0.00 175.10 175.28 1ufg s ARG 53 N 1.37 4.06 -0.09 2.72 0.52 0.12 0.01 118.95 127.66 1ufg s ARG 53 Ca -0.02 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1ufg s ARG 53 Cb -0.17 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1ufg s ARG 53 CO -0.08 -0.10 -0.22 -0.51 0.02 0.00 0.00 175.30 174.41 1ufg s LEU 54 N 1.54 2.02 0.10 2.53 1.43 0.92 -1.20 118.68 126.02 1ufg s LEU 54 Ca 0.12 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1ufg s LEU 54 Cb -0.15 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1ufg s LEU 54 CO 0.08 0.15 -0.25 -0.60 0.23 0.00 0.00 176.35 175.96 1ufg s ARG 55 N 0.34 1.40 0.06 1.70 3.52 -0.34 -0.19 118.95 125.44 1ufg s ARG 55 Ca -0.17 -1.22 -0.16 0.00 -0.13 0.00 0.00 55.73 54.05 1ufg s ARG 55 Cb -0.17 -1.75 -0.06 0.00 -1.56 0.00 0.00 34.95 31.41 1ufg s ARG 55 CO 0.08 0.42 0.49 1.21 -0.81 0.00 0.00 175.30 176.69 1ufg s ASN 56 N -1.79 6.88 -0.11 -2.12 3.84 0.59 -0.05 114.94 122.18 1ufg s ASN 56 Ca 0.11 1.07 0.11 0.00 0.21 0.00 0.00 52.86 54.36 1ufg s ASN 56 Cb -0.10 -2.29 -0.15 0.00 -0.55 0.00 0.00 41.25 38.16 1ufg s ASN 56 CO 0.04 0.25 0.06 0.29 -2.79 0.00 0.00 177.10 174.96 1ufg n LYS 57 N 1.51 1.90 -1.77 0.43 4.76 0.44 -3.42 118.16 122.02 1ufg n LYS 57 Ca -0.11 -0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 54.97 1ufg n LYS 57 Cb 0.52 -1.31 0.06 0.00 -1.84 0.00 0.00 35.03 32.46 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 -4.39 4.82 0.06 4.39 1.04 -0.19 -4.75 113.70 114.69 1ufg s SER 58 Ca -0.06 2.32 0.25 0.00 0.48 0.00 0.00 55.95 58.94 1ufg s SER 58 Cb 0.04 -2.59 0.55 0.00 0.10 0.00 0.00 66.02 64.13 1ufg s SER 58 CO 0.49 -1.84 1.46 -3.20 0.98 0.00 0.00 173.24 171.14 1ufg n ASN 59 N -2.12 0.53 -4.76 7.02 5.15 -1.26 -3.24 115.26 116.58 1ufg n ASN 59 Ca 0.13 0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.80 1ufg n ASN 59 Cb 0.50 0.05 -0.07 0.00 -0.53 0.00 0.00 39.78 39.73 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1ufg s GLU 60 N -3.07 4.07 0.11 1.20 -1.05 -1.26 -4.64 118.70 114.05 1ufg s GLU 60 Ca 0.09 -0.14 -0.35 0.00 -0.15 0.00 0.00 54.97 54.42 1ufg s GLU 60 Cb 0.16 -3.38 -0.17 0.00 -0.44 0.00 0.00 34.13 30.29 1ufg s GLU 60 CO 0.68 0.38 1.02 -0.25 0.95 0.00 0.00 175.26 178.04 1ufg n ASP 61 N 3.24 0.40 -4.45 0.83 8.00 -1.26 -4.35 116.55 118.95 1ufg n ASP 61 Ca -0.16 1.14 -0.36 0.00 0.71 0.00 0.00 54.79 56.12 1ufg n ASP 61 Cb 0.52 -1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 40.44 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ufg s GLN 62 N -0.31 3.66 -0.28 -1.24 2.00 -0.23 -4.86 119.66 118.41 1ufg s GLN 62 Ca 0.78 -0.48 -0.20 0.00 -2.00 0.00 0.00 55.36 53.47 1ufg s GLN 62 Cb -1.01 -3.30 -0.02 0.00 0.80 0.00 0.00 33.01 29.48 1ufg s GLN 62 CO 0.54 -0.16 0.60 -1.54 -0.50 0.00 0.00 175.29 174.24 1ufg s SER 63 N 1.52 6.52 -0.58 6.67 1.04 -1.26 0.12 113.70 127.72 1ufg s SER 63 Ca 0.06 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.07 1ufg s SER 63 Cb -0.15 -2.32 0.41 0.00 0.10 0.00 0.00 66.02 64.06 1ufg s SER 63 CO 0.03 -0.39 1.61 0.23 0.98 0.00 0.00 173.24 175.69 1ufg n MET 64 N 5.74 3.10 -1.61 4.02 0.00 0.28 -4.83 117.12 123.81 1ufg n MET 64 Ca -0.01 -3.88 -0.34 0.00 0.00 0.00 0.00 57.70 53.47 1ufg n MET 64 Cb 0.49 -2.27 -0.04 0.00 0.00 0.00 0.00 33.22 31.40 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 -0.64 4.55 0.00 3.03 0.00 -1.15 -3.57 105.19 107.41 1ufg n GLY 65 Ca 0.50 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 2.07 0.00 -4.13 1.61 5.03 -1.23 -4.47 115.26 114.15 1ufg n ASN 66 Ca 0.61 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.71 1ufg n ASN 66 Cb 0.39 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.23 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 -2.34 -4.04 3.10 7.02 -1.23 -4.44 117.44 115.50 1ufg n TRP 67 Ca 0.00 0.30 -0.11 0.00 -1.02 0.00 0.00 57.50 56.67 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 -2.60 1.62 -0.09 -0.99 -0.21 0.18 0.35 119.66 117.92 1ufg s GLN 68 Ca 0.45 -1.44 -0.01 0.00 0.02 0.00 0.00 55.36 54.38 1ufg s GLN 68 Cb -0.07 0.44 0.03 0.00 1.00 0.00 0.00 33.01 34.41 1ufg s GLN 68 CO 0.71 -0.66 -0.05 0.42 -2.12 0.00 0.00 175.29 173.58 1ufg s ILE 69 N -3.73 0.78 -0.27 1.08 1.01 0.16 0.54 121.20 120.76 1ufg s ILE 69 Ca 0.27 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1ufg s ILE 69 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1ufg s ILE 69 CO 0.12 0.32 0.30 -0.13 0.00 0.00 0.00 174.94 175.56 1ufg s ARG 70 N 1.71 3.99 -0.15 2.79 0.52 0.27 0.02 118.95 128.10 1ufg s ARG 70 Ca 0.03 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1ufg s ARG 70 Cb -0.13 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.72 1ufg s ARG 70 CO -0.06 -0.24 -0.10 0.50 0.02 0.00 0.00 175.30 175.42 1ufg s ARG 71 N 1.95 1.90 -0.09 3.54 6.06 0.03 0.17 118.95 132.51 1ufg s ARG 71 Ca 0.12 -0.52 -0.01 0.00 -2.50 0.00 0.00 55.73 52.82 1ufg s ARG 71 Cb -0.16 -2.00 0.03 0.00 0.06 0.00 0.00 34.95 32.88 1ufg s ARG 71 CO 0.10 -0.31 -0.03 -1.14 -2.50 0.00 0.00 175.30 171.42 1ufg s GLN 72 N 1.56 0.99 -0.02 5.12 -0.44 -0.63 -1.16 119.66 125.09 1ufg s GLN 72 Ca 0.03 -0.04 0.08 0.00 -2.50 0.00 0.00 55.36 52.92 1ufg s GLN 72 Cb -0.14 -1.23 -0.02 0.00 -1.64 0.00 0.00 33.01 29.98 1ufg s GLN 72 CO -0.09 -0.29 -0.25 0.54 0.50 0.00 0.00 175.29 175.70 1ufg s ASN 73 N 1.86 3.17 0.79 6.67 2.20 -1.26 -0.96 114.94 127.40 1ufg s ASN 73 Ca 0.05 -0.45 -0.16 0.00 -0.94 0.00 0.00 52.86 51.36 1ufg s ASN 73 Cb -0.12 -0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 38.69 1ufg s ASN 73 CO -0.06 0.32 0.32 0.61 -2.94 0.00 0.00 177.10 175.35 1ufg n GLY 74 N 2.35 -2.07 3.75 0.45 0.00 -0.94 -2.95 105.19 105.79 1ufg n GLY 74 Ca -0.16 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 0.05 -3.64 0.00 1.61 9.92 -1.26 -4.87 116.55 118.36 1ufg n ASP 75 Ca 0.08 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1ufg n ASP 75 Cb 0.51 -3.36 0.00 0.00 -0.64 0.00 0.00 41.12 37.63 1ufg n ASP 75 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ufg n ASP 76 N -2.79 0.00 -2.95 -2.24 2.03 -1.15 -5.08 116.55 104.37 1ufg n ASP 76 Ca -0.17 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.00 1ufg n ASP 76 Cb 0.62 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.13 1ufg n ASP 76 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ufg n PRO 77 N -0.25 -1.31 -4.52 -0.67 -0.04 -1.26 -4.68 135.00 122.27 1ufg n PRO 77 Ca 0.00 -0.90 -0.33 0.00 -0.04 0.00 0.00 63.50 62.23 1ufg n PRO 77 Cb 0.00 -0.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.68 0.06 1.53 2.96 -1.26 -4.18 118.68 120.47 1ufg s LEU 78 Ca 0.34 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1ufg s LEU 78 Cb -0.02 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1ufg s LEU 78 CO 0.25 0.11 -0.01 0.00 -1.32 0.00 0.00 176.35 175.38 1ufg s MET 79 N 0.71 2.60 -0.26 1.98 0.23 -0.31 -5.00 119.30 119.26 1ufg s MET 79 Ca -0.06 -0.77 -0.02 0.00 -1.03 0.00 0.00 55.69 53.81 1ufg s MET 79 Cb -0.15 -2.57 0.08 0.00 -1.53 0.00 0.00 34.83 30.66 1ufg s MET 79 CO 0.02 0.57 0.06 0.99 -2.03 0.00 0.00 175.02 174.62 1ufg s THR 80 N -1.22 0.78 -0.66 3.16 2.01 -1.26 -0.79 115.64 117.65 1ufg s THR 80 Ca 0.23 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.97 1ufg s THR 80 Cb -0.12 -1.41 0.07 0.00 0.01 0.00 0.00 72.50 71.05 1ufg s THR 80 CO 0.15 -0.44 0.98 -0.47 -0.69 0.00 0.00 174.62 174.16 1ufg s TYR 81 N 1.70 2.66 -0.22 4.92 5.04 0.10 -4.82 117.35 126.73 1ufg s TYR 81 Ca 0.04 -0.53 -0.27 0.00 -2.44 0.00 0.00 57.07 53.87 1ufg s TYR 81 Cb -0.17 -4.31 -0.00 0.00 0.35 0.00 0.00 41.96 37.83 1ufg s TYR 81 CO -0.17 -1.67 0.94 0.50 -1.34 0.00 0.00 175.55 173.81 1ufg s ARG 82 N 4.14 4.25 1.02 4.97 3.52 -1.26 0.35 118.95 135.95 1ufg s ARG 82 Ca 0.23 1.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.88 1ufg s ARG 82 Cb -0.16 -3.62 0.20 0.00 -1.56 0.00 0.00 34.95 29.80 1ufg s ARG 82 CO 0.10 -0.52 1.07 -0.06 -0.81 0.00 0.00 175.30 175.08 1ufg s PHE 83 N 2.83 1.80 0.46 5.12 0.08 0.15 -4.94 117.98 123.49 1ufg s PHE 83 Ca 0.41 1.25 -0.21 0.00 0.12 0.00 0.00 56.93 58.50 1ufg s PHE 83 Cb -0.16 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 1ufg s PHE 83 CO 0.08 -3.13 1.04 -1.25 -0.10 0.00 0.00 175.22 171.87 1ufg s PRO 84 N -4.72 3.89 0.00 0.24 0.04 -1.26 -4.22 135.00 128.97 1ufg s PRO 84 Ca 0.66 1.40 0.14 0.00 0.04 0.00 0.00 61.00 63.24 1ufg s PRO 84 Cb -0.21 -2.20 0.84 0.00 0.04 0.00 0.00 34.50 32.96 1ufg s PRO 84 CO 0.60 -0.36 1.36 -0.35 0.04 0.00 0.00 177.00 178.29 1ufg n PRO 85 N -0.75 0.75 -2.50 0.56 -0.04 -1.26 -3.02 135.00 128.73 1ufg n PRO 85 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1ufg n PRO 85 Cb 0.52 -1.29 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.79 2.77 -4.60 0.54 4.01 -1.26 -4.55 118.16 114.27 1ufg n LYS 86 Ca 0.11 -4.11 -0.23 0.00 -0.51 0.00 0.00 58.31 53.57 1ufg n LYS 86 Cb 0.05 -1.96 -0.16 0.00 -0.51 0.00 0.00 35.03 32.45 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 -3.44 1.34 -0.23 2.13 5.36 -1.17 -5.02 117.98 116.95 1ufg s PHE 87 Ca 0.42 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1ufg s PHE 87 Cb 0.41 -0.93 0.07 0.00 -0.34 0.00 0.00 43.02 42.24 1ufg s PHE 87 CO -0.10 -0.15 0.06 0.99 -1.46 0.00 0.00 175.22 174.56 1ufg s THR 88 N 0.19 0.51 -0.86 0.12 2.01 -1.26 -0.56 115.64 115.79 1ufg s THR 88 Ca -0.05 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 1ufg s THR 88 Cb -0.11 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.34 1ufg s THR 88 CO 0.02 -0.37 1.18 -0.22 -0.69 0.00 0.00 174.62 174.53 1ufg s LEU 89 N 1.84 4.32 1.03 4.42 2.96 0.32 -4.91 118.68 128.66 1ufg s LEU 89 Ca 0.03 -1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 1ufg s LEU 89 Cb -0.17 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 43.98 1ufg s LEU 89 CO -0.15 -1.35 -0.72 0.29 -1.32 0.00 0.00 176.35 173.11 1ufg n LYS 90 N 7.69 -0.46 -2.65 1.98 5.02 -1.26 -1.07 118.16 127.41 1ufg n LYS 90 Ca 0.17 -0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1ufg n LYS 90 Cb 0.49 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.12 3.28 0.00 7.82 0.00 -1.26 -2.84 121.76 126.64 1ufg s ALA 91 Ca 0.45 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1ufg s ALA 91 Cb -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ufg s ALA 91 CO 0.70 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1ufg n GLY 92 N 2.31 0.59 3.97 0.00 0.00 -1.20 -4.95 105.19 105.90 1ufg n GLY 92 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.19 2.53 0.05 1.61 1.11 -1.13 -4.81 119.66 118.83 1ufg s GLN 93 Ca 0.00 -0.73 -0.01 0.00 0.01 0.00 0.00 55.36 54.63 1ufg s GLN 93 Cb 0.00 -2.46 -0.04 0.00 -1.01 0.00 0.00 33.01 29.50 1ufg s GLN 93 CO 0.00 -0.74 -0.02 0.54 0.01 0.00 0.00 175.29 175.08 1ufg s VAL 94 N -2.80 0.20 -0.05 1.09 0.11 -1.26 -0.30 120.40 117.39 1ufg s VAL 94 Ca 0.57 -1.64 -0.11 0.00 -2.93 0.00 0.00 61.98 57.87 1ufg s VAL 94 Cb -0.10 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1ufg s VAL 94 CO 0.39 -0.91 0.26 0.54 -3.33 0.00 0.00 175.10 172.05 1ufg s VAL 95 N -3.53 0.04 -0.13 2.04 0.11 0.73 -4.71 120.40 114.95 1ufg s VAL 95 Ca 0.03 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1ufg s VAL 95 Cb 0.05 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1ufg s VAL 95 CO -0.09 -0.16 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.43 1ufg s THR 96 N -0.64 2.33 -0.78 5.04 2.01 0.12 -0.06 115.64 123.66 1ufg s THR 96 Ca -0.07 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1ufg s THR 96 Cb -0.04 -1.94 0.20 0.00 0.01 0.00 0.00 72.50 70.73 1ufg s THR 96 CO 0.02 0.54 0.64 -0.63 -0.69 0.00 0.00 174.62 174.50 1ufg s ILE 97 N 0.58 4.18 0.86 1.82 1.09 0.10 0.12 121.20 129.96 1ufg s ILE 97 Ca -0.11 -3.42 -0.12 0.00 -1.10 0.00 0.00 60.65 55.90 1ufg s ILE 97 Cb -0.16 -3.64 0.11 0.00 -1.06 0.00 0.00 42.46 37.70 1ufg s ILE 97 CO 0.03 -1.00 1.10 0.26 -0.10 0.00 0.00 174.94 175.23 1ufg s TRP 98 N -0.75 2.51 -0.06 3.97 0.52 0.19 -0.96 118.94 124.36 1ufg s TRP 98 Ca 0.23 1.20 -0.02 0.00 0.02 0.00 0.00 56.10 57.53 1ufg s TRP 98 Cb -0.13 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 1ufg s TRP 98 CO -0.09 -2.17 0.04 0.00 0.02 0.00 0.00 176.95 174.75 1ufg s ALA 99 N -3.03 3.44 0.51 0.98 0.00 0.16 0.58 121.76 124.41 1ufg s ALA 99 Ca 0.62 -0.82 0.47 0.00 0.00 0.00 0.00 51.96 52.23 1ufg s ALA 99 Cb -0.17 -1.55 1.61 0.00 0.00 0.00 0.00 23.12 23.02 1ufg s ALA 99 CO 0.56 0.63 1.45 0.45 0.00 0.00 0.00 175.76 178.85 1ufg n SER 100 N 1.75 0.01 -3.44 0.00 2.88 0.92 0.00 113.62 115.73 1ufg n SER 100 Ca -0.17 0.94 -0.33 0.00 -1.33 0.00 0.00 58.87 57.98 1ufg n SER 100 Cb 0.53 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.85 5.38 0.81 0.46 0.00 -1.21 -4.55 105.19 104.23 1ufg n GLY 101 Ca 0.41 -2.72 -0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.45 2.36 -4.16 4.61 0.00 0.10 -4.75 120.51 119.12 1ufg n ALA 102 Ca 0.33 -1.03 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 1ufg n ALA 102 Cb 0.36 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 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 0.12 -0.41 0.00 0.00 0.00 -1.26 -4.89 105.19 98.75 1ufg n GLY 103 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.74 0.00 -3.66 4.61 0.00 -1.26 -5.13 120.51 111.33 1ufg n ALA 104 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1ufg n ALA 104 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 1.03 -0.51 -0.61 0.00 2.01 -1.26 -5.09 115.64 111.21 1ufg s THR 105 Ca 0.00 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 1ufg s THR 105 Cb 0.00 -0.74 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 1ufg s THR 105 CO 0.00 0.05 2.38 -2.28 -0.69 0.00 0.00 174.62 174.07 1ufg s HIS 106 N 2.30 1.13 -0.44 4.92 2.46 -1.26 -4.48 115.29 119.92 1ufg s HIS 106 Ca -0.05 1.67 0.09 0.00 0.47 0.00 0.00 55.06 57.24 1ufg s HIS 106 Cb -0.11 -3.56 0.32 0.00 -0.13 0.00 0.00 32.58 29.11 1ufg s HIS 106 CO -0.14 -2.18 0.75 0.43 -2.47 0.00 0.00 174.74 171.12 1ufg n SER 107 N 16.71 1.79 -4.71 9.88 7.64 -1.02 -4.97 113.62 138.95 1ufg n SER 107 Ca 0.40 -3.15 -0.29 0.00 1.01 0.00 0.00 58.87 56.84 1ufg n SER 107 Cb 0.51 -0.61 0.14 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.46 1.01 0.22 1.43 0.04 0.51 0.12 135.00 135.86 1ufg s PRO 108 Ca 0.41 0.24 0.25 0.00 0.04 0.00 0.00 61.00 61.94 1ufg s PRO 108 Cb 0.29 -1.83 0.90 0.00 0.04 0.00 0.00 34.50 33.90 1ufg s PRO 108 CO -0.09 -2.28 1.74 -0.35 0.04 0.00 0.00 177.00 176.06 1ufg n PRO 109 N -3.81 0.21 0.00 0.56 -0.04 -1.26 -4.70 135.00 125.97 1ufg n PRO 109 Ca 0.07 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1ufg n PRO 109 Cb 0.59 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.20 0.00 -3.72 0.52 -2.24 -1.20 -4.61 114.28 100.82 1ufg n THR 110 Ca 0.04 1.45 -0.32 0.00 -2.27 0.00 0.00 64.05 62.95 1ufg n THR 110 Cb 0.33 -2.29 -0.05 0.00 -2.10 0.00 0.00 70.33 66.22 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 -2.32 6.48 0.05 3.42 1.11 0.31 0.11 116.67 125.84 1ufg s ASP 111 Ca 0.00 0.54 -0.03 0.00 0.18 0.00 0.00 52.55 53.24 1ufg s ASP 111 Cb 0.00 -2.07 -0.03 0.00 1.07 0.00 0.00 42.92 41.89 1ufg s ASP 111 CO 0.00 0.12 0.03 -0.76 1.18 0.00 0.00 175.17 175.75 1ufg s LEU 112 N -2.39 2.13 -0.09 1.23 1.43 0.32 0.19 118.68 121.50 1ufg s LEU 112 Ca 0.37 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1ufg s LEU 112 Cb -0.13 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.53 1ufg s LEU 112 CO 0.23 -0.57 -0.12 -0.69 0.23 0.00 0.00 176.35 175.43 1ufg s VAL 113 N -3.37 1.25 -0.66 -1.59 1.01 -1.26 0.54 120.40 116.32 1ufg s VAL 113 Ca 0.02 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 1ufg s VAL 113 Cb 0.04 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1ufg s VAL 113 CO -0.08 0.39 1.14 0.86 0.00 0.00 0.00 175.10 177.41 1ufg s TRP 114 N 1.04 2.52 0.06 5.22 -0.00 0.20 -4.83 118.94 123.15 1ufg s TRP 114 Ca -0.07 -0.07 -0.11 0.00 -0.00 0.00 0.00 56.10 55.86 1ufg s TRP 114 Cb -0.15 -4.44 -0.28 0.00 -0.00 0.00 0.00 33.47 28.60 1ufg s TRP 114 CO -0.01 -1.77 1.11 0.87 -0.00 0.00 0.00 176.95 177.15 1ufg h LYS 115 N 9.71 0.49 -0.36 5.86 1.57 -1.95 0.26 116.57 132.14 1ufg h LYS 115 Ca -0.27 -0.72 0.07 0.00 -1.87 0.00 0.00 60.65 57.86 1ufg h LYS 115 Cb 1.06 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 1ufg h LYS 115 CO 1.21 1.33 -0.05 0.00 -0.57 0.00 0.00 179.45 181.36 1ufg h ALA 116 N 0.38 0.28 -0.96 3.86 0.00 -2.00 -3.43 119.26 117.39 1ufg h ALA 116 Ca -0.18 0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 1ufg h ALA 116 Cb 1.97 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.96 1ufg h ALA 116 CO 0.23 -0.43 -0.29 -0.65 0.00 0.00 0.00 179.25 178.11 1ufg s GLN 117 N -6.20 2.37 -0.02 0.00 -1.52 -1.24 -5.04 119.66 108.01 1ufg s GLN 117 Ca -0.14 -1.77 0.02 0.00 -1.95 0.00 0.00 55.36 51.53 1ufg s GLN 117 Cb 0.13 -2.31 0.04 0.00 -0.22 0.00 0.00 33.01 30.65 1ufg s GLN 117 CO 0.70 -0.51 0.91 0.09 -0.25 0.00 0.00 175.29 176.24 1ufg n ASN 118 N -1.78 0.37 -3.64 5.90 3.02 -1.26 -3.16 115.26 114.72 1ufg n ASN 118 Ca 0.04 -1.91 -0.05 0.00 -0.03 0.00 0.00 54.58 52.63 1ufg n ASN 118 Cb 0.63 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.39 0.00 -0.68 3.41 -1.32 -1.26 -3.34 115.64 112.06 1ufg s THR 119 Ca 0.04 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1ufg s THR 119 Cb 0.03 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.52 1ufg s THR 119 CO 0.00 0.00 1.28 0.79 -2.21 0.00 0.00 174.62 174.48 1ufg n TRP 120 N 1.22 1.23 -1.00 9.09 7.02 -1.12 -4.99 117.44 128.90 1ufg n TRP 120 Ca -0.07 -0.43 0.00 0.00 -1.02 0.00 0.00 57.50 55.97 1ufg n TRP 120 Cb 0.57 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1ufg n TRP 120 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ufg n GLY 121 N 0.47 -4.25 0.00 6.99 0.00 -1.26 -4.83 105.19 102.31 1ufg n GLY 121 Ca 0.17 -0.67 0.00 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 5.00 3.32 0.29 0.00 0.00 -1.26 -4.62 105.19 107.92 1ufg n GLY 123 Ca 0.00 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 -3.31 1.61 4.64 -1.94 -3.40 113.55 111.14 1ufg h SER 124 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ufg h SER 124 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 1ufg h SER 124 CO 0.00 0.05 -0.85 -0.94 -0.87 0.00 0.00 176.83 174.22 1ufg s SER 125 N -5.82 3.32 0.02 4.97 1.04 -1.26 0.11 113.70 116.08 1ufg s SER 125 Ca -0.03 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1ufg s SER 125 Cb 0.13 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 1ufg s SER 125 CO 0.53 0.14 -0.03 -0.76 0.98 0.00 0.00 173.24 174.11 1ufg s LEU 126 N 0.44 2.19 -0.31 2.42 1.43 0.10 -2.20 118.68 122.75 1ufg s LEU 126 Ca -0.15 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1ufg s LEU 126 Cb -0.17 0.07 0.15 0.00 0.03 0.00 0.00 46.19 46.26 1ufg s LEU 126 CO 0.06 -0.23 0.34 -0.60 0.23 0.00 0.00 176.35 176.15 1ufg s ARG 127 N -1.15 0.41 0.34 1.70 3.52 -0.14 -1.35 118.95 122.29 1ufg s ARG 127 Ca -0.12 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.21 1ufg s ARG 127 Cb -0.08 -0.58 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 1ufg s ARG 127 CO -0.01 -1.07 0.59 0.99 -0.81 0.00 0.00 175.30 175.00 1ufg s THR 128 N 2.21 5.02 0.02 4.11 2.01 -0.61 -1.60 115.64 126.81 1ufg s THR 128 Ca 0.11 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 1ufg s THR 128 Cb -0.14 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.63 1ufg s THR 128 CO -0.26 -0.48 0.54 0.00 -0.69 0.00 0.00 174.62 173.72 1ufg s ALA 129 N -2.27 -1.38 -0.08 7.40 0.00 0.45 -1.15 121.76 124.73 1ufg s ALA 129 Ca 0.43 0.73 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1ufg s ALA 129 Cb -0.10 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1ufg s ALA 129 CO 0.34 -0.45 -0.23 -1.17 0.00 0.00 0.00 175.76 174.24 1ufg s LEU 130 N -1.74 2.05 0.07 0.00 2.96 0.85 0.96 118.68 123.83 1ufg s LEU 130 Ca -0.07 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1ufg s LEU 130 Cb -0.01 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 1ufg s LEU 130 CO 0.01 0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.47 1ufg s ILE 131 N 0.21 3.24 0.00 6.68 -1.09 0.19 -0.11 121.20 130.32 1ufg s ILE 131 Ca -0.14 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.09 1ufg s ILE 131 Cb -0.17 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 1ufg s ILE 131 CO 0.07 0.21 0.00 -0.46 -1.23 0.00 0.00 174.94 173.53 1ufg n ASN 132 N 1.04 0.00 -0.38 3.58 0.23 -0.60 0.48 115.26 119.61 1ufg n ASN 132 Ca -0.15 -0.82 -0.09 0.00 -0.53 0.00 0.00 54.58 52.99 1ufg n ASN 132 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 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 -2.47 -0.94 -4.88 0.53 3.41 -1.26 -4.22 113.62 103.79 1ufg n SER 133 Ca 0.00 1.62 -0.30 0.00 -0.26 0.00 0.00 58.87 59.93 1ufg n SER 133 Cb 0.00 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1ufg n SER 133 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ufg s THR 134 N -5.48 4.53 -0.61 6.66 -1.32 -1.26 -4.64 115.64 113.51 1ufg s THR 134 Ca -0.11 0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 1ufg s THR 134 Cb 0.11 -3.80 -0.11 0.00 -1.51 0.00 0.00 72.50 67.19 1ufg s THR 134 CO 0.57 -1.00 1.80 0.61 -2.21 0.00 0.00 174.62 174.39 1ufg n GLY 135 N -2.70 2.42 2.89 6.08 0.00 -1.26 -4.74 105.19 107.88 1ufg n GLY 135 Ca 0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 4.53 0.05 0.33 1.61 2.12 -1.26 -5.04 118.70 121.05 1ufg s GLU 136 Ca 0.40 0.21 -0.26 0.00 0.36 0.00 0.00 54.97 55.68 1ufg s GLU 136 Cb 0.10 -0.10 -0.09 0.00 0.26 0.00 0.00 34.13 34.29 1ufg s GLU 136 CO 0.06 -0.10 1.02 -2.00 -0.54 0.00 0.00 175.26 173.70 1ufg s GLU 137 N 0.66 4.46 -0.07 4.30 2.12 -1.26 -1.56 118.70 127.35 1ufg s GLU 137 Ca -0.05 1.53 0.03 0.00 0.36 0.00 0.00 54.97 56.84 1ufg s GLU 137 Cb -0.07 -2.83 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 1ufg s GLU 137 CO -0.03 0.12 -0.01 1.33 -0.54 0.00 0.00 175.26 176.13 1ufg n VAL 138 N 0.55 0.43 -3.92 3.70 0.24 0.84 -4.90 118.33 115.26 1ufg n VAL 138 Ca 0.02 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 1ufg n VAL 138 Cb 0.48 -0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.15 -0.07 0.03 2.33 0.00 -1.22 0.19 121.76 120.87 1ufg s ALA 139 Ca -0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ufg s ALA 139 Cb 0.02 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1ufg s ALA 139 CO 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 175.76 175.57 1ufg s MET 140 N -3.21 0.46 -0.36 0.00 0.00 -0.03 -0.11 119.30 116.05 1ufg s MET 140 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.84 1ufg s MET 140 Cb 0.02 0.16 0.14 0.00 0.00 0.00 0.00 34.83 35.16 1ufg s MET 140 CO -0.07 -0.08 0.22 0.50 0.00 0.00 0.00 175.02 175.58 1ufg s ARG 141 N -2.52 0.58 0.34 3.16 3.52 -0.30 0.22 118.95 123.96 1ufg s ARG 141 Ca -0.06 -1.40 -0.25 0.00 -0.13 0.00 0.00 55.73 53.89 1ufg s ARG 141 Cb -0.02 -1.32 -0.10 0.00 -1.56 0.00 0.00 34.95 31.95 1ufg s ARG 141 CO -0.05 -1.22 0.96 0.21 -0.81 0.00 0.00 175.30 174.39 1ufg s LYS 142 N 0.98 4.51 -0.18 5.12 2.20 0.42 -1.57 119.74 131.22 1ufg s LYS 142 Ca 0.19 1.33 -0.06 0.00 -0.36 0.00 0.00 55.97 57.08 1ufg s LYS 142 Cb -0.21 -2.72 0.09 0.00 -1.51 0.00 0.00 37.83 33.48 1ufg s LYS 142 CO -0.01 0.21 0.36 -0.51 -0.36 0.00 0.00 175.35 175.04 1ufg s LEU 143 N -2.22 -0.51 -0.11 5.43 1.02 -0.45 0.20 118.68 122.04 1ufg s LEU 143 Ca 0.52 0.72 0.01 0.00 0.02 0.00 0.00 54.13 55.40 1ufg s LEU 143 Cb -0.18 1.08 0.02 0.00 0.02 0.00 0.00 46.19 47.12 1ufg s LEU 143 CO 0.23 -0.25 -0.13 -0.69 0.02 0.00 0.00 176.35 175.54 1ufg s VAL 144 N 2.53 1.33 0.25 -1.59 1.01 -1.24 0.01 120.40 122.70 1ufg s VAL 144 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1ufg s VAL 144 Cb -0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1ufg s VAL 144 CO -0.12 0.41 1.03 -0.60 0.00 0.00 0.00 175.10 175.82 1ufg s ARG 145 N 1.19 4.74 -0.09 2.72 3.52 0.31 0.21 118.95 131.54 1ufg s ARG 145 Ca -0.03 1.65 -0.28 0.00 -0.13 0.00 0.00 55.73 56.94 1ufg s ARG 145 Cb -0.14 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1ufg s ARG 145 CO -0.04 0.34 0.93 0.45 -0.81 0.00 0.00 175.30 176.17 1ufg s SER 146 N -0.94 7.19 0.00 -2.12 0.15 -1.26 -4.86 113.70 111.86 1ufg s SER 146 Ca 0.43 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1ufg s SER 146 Cb -0.29 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1ufg s SER 146 CO 0.36 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1ufg n GLY 147 N 3.12 0.38 3.81 9.45 0.00 -1.26 -5.07 105.19 115.63 1ufg n GLY 147 Ca 0.06 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 3.13 -0.27 1.61 0.04 -1.26 -5.06 135.00 131.19 1ufg s PRO 148 Ca 0.00 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.06 1ufg s PRO 148 Cb 0.00 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1ufg s PRO 148 CO 0.00 -0.95 0.09 -1.12 0.04 0.00 0.00 177.00 175.06 1ufg s SER 149 N -3.39 3.58 -0.29 6.66 0.01 -1.26 -5.10 113.70 113.91 1ufg s SER 149 Ca 0.60 -1.31 -0.21 0.00 1.31 0.00 0.00 55.95 56.34 1ufg s SER 149 Cb -0.15 -0.64 0.14 0.00 0.21 0.00 0.00 66.02 65.58 1ufg s SER 149 CO 0.47 -0.39 1.02 -0.94 0.41 0.00 0.00 173.24 173.81 1ufg s SER 150 N 1.82 -0.46 0.00 2.44 1.04 -1.26 -5.37 113.70 111.92 1ufg s SER 150 Ca 0.07 0.81 0.24 0.00 0.48 0.00 0.00 55.95 57.55 1ufg s SER 150 Cb -0.17 0.99 0.28 0.00 0.10 0.00 0.00 66.02 67.22 1ufg s SER 150 CO -0.24 -0.13 1.31 0.61 0.98 0.00 0.00 173.24 175.77