#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 -0.10 -0.08 1.61 0.15 -1.26 -5.18 113.70 108.84 1ufg s SER 2 Ca 0.00 0.14 -0.32 0.00 0.70 0.00 0.00 55.95 56.47 1ufg s SER 2 Cb 0.00 1.08 0.14 0.00 -1.71 0.00 0.00 66.02 65.53 1ufg s SER 2 CO 0.00 -0.02 1.41 -0.94 1.20 0.00 0.00 173.24 174.89 1ufg s SER 3 N 1.56 -0.01 -0.27 5.45 1.04 -1.26 -5.19 113.70 115.02 1ufg s SER 3 Ca -0.04 -0.03 -0.38 0.00 0.48 0.00 0.00 55.95 55.98 1ufg s SER 3 Cb -0.02 0.03 0.16 0.00 0.10 0.00 0.00 66.02 66.29 1ufg s SER 3 CO -0.13 -0.06 1.39 -0.83 0.98 0.00 0.00 173.24 174.59 1ufg s GLY 4 N -3.11 -0.23 -0.18 7.32 0.00 -1.26 -5.19 107.32 104.67 1ufg s GLY 4 Ca 0.17 1.83 -0.35 0.00 0.00 0.00 0.00 44.72 46.36 1ufg s GLY 4 CO -0.06 0.59 1.35 -0.56 0.00 0.00 0.00 173.10 174.42 1ufg s SER 5 N -2.11 -0.04 -0.30 1.64 0.01 -1.26 -5.18 113.70 106.46 1ufg s SER 5 Ca 0.12 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.15 1ufg s SER 5 Cb -0.00 0.06 0.20 0.00 0.21 0.00 0.00 66.02 66.49 1ufg s SER 5 CO -0.03 -0.11 1.37 -0.55 0.41 0.00 0.00 173.24 174.34 1ufg s SER 6 N -2.44 -0.04 0.00 2.44 0.15 -1.26 -5.14 113.70 107.41 1ufg s SER 6 Ca 0.12 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1ufg s SER 6 Cb 0.02 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1ufg s SER 6 CO -0.04 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1ufg n GLY 7 N 2.30 -1.14 3.24 9.45 0.00 -1.26 -5.18 105.19 112.60 1ufg n GLY 7 Ca -0.14 0.91 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 1.06 0.02 1.61 -0.21 -1.26 -5.05 119.66 115.83 1ufg s GLN 8 Ca 0.00 -1.35 -0.26 0.00 0.02 0.00 0.00 55.36 53.77 1ufg s GLN 8 Cb 0.00 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.37 1ufg s GLN 8 CO 0.00 -0.34 0.59 -1.54 -2.12 0.00 0.00 175.29 171.88 1ufg s SER 9 N -3.03 -0.54 0.39 5.90 1.04 -1.26 -5.18 113.70 111.01 1ufg s SER 9 Ca 0.23 0.37 0.04 0.00 0.48 0.00 0.00 55.95 57.07 1ufg s SER 9 Cb 0.06 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 1ufg s SER 9 CO 0.02 -0.71 0.05 -1.10 0.98 0.00 0.00 173.24 172.48 1ufg s GLN 10 N -2.11 1.86 0.09 4.02 -1.52 -1.26 -5.16 119.66 115.58 1ufg s GLN 10 Ca -0.07 -2.08 -0.25 0.00 -1.95 0.00 0.00 55.36 51.01 1ufg s GLN 10 Cb -0.01 -1.15 0.09 0.00 -0.22 0.00 0.00 33.01 31.72 1ufg s GLN 10 CO 0.01 -0.21 1.15 0.20 -0.25 0.00 0.00 175.29 176.19 1ufg s GLY 11 N -3.62 -0.03 0.00 3.09 0.00 -1.26 -5.19 107.32 100.30 1ufg s GLY 11 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1ufg s GLY 11 CO 0.14 3.36 0.00 0.61 0.00 0.00 0.00 173.10 177.22 1ufg n GLY 12 N -0.75 1.31 0.00 0.20 0.00 -1.26 -5.19 105.19 99.50 1ufg n GLY 12 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.10 3.77 -0.02 0.00 -1.26 -5.16 105.19 102.42 1ufg n GLY 13 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 5.19 -0.48 1.61 0.15 -1.26 -5.06 113.70 113.85 1ufg s SER 14 Ca 0.00 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.33 1ufg s SER 14 Cb 0.00 -1.18 0.33 0.00 -1.71 0.00 0.00 66.02 63.47 1ufg s SER 14 CO 0.00 -0.07 0.82 1.33 1.20 0.00 0.00 173.24 176.52 1ufg n VAL 15 N -1.12 1.38 -2.77 4.45 0.24 -1.26 -4.92 118.33 114.33 1ufg n VAL 15 Ca -0.07 -5.03 -0.30 0.00 -2.04 0.00 0.00 64.34 56.90 1ufg n VAL 15 Cb 0.59 -0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 1ufg n VAL 15 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1ufg n THR 16 N 0.14 3.51 -3.75 3.34 5.66 -1.26 -5.00 114.28 116.92 1ufg n THR 16 Ca 0.28 -5.50 -0.02 0.00 -3.05 0.00 0.00 64.05 55.76 1ufg n THR 16 Cb 0.52 -1.40 -0.01 0.00 -1.55 0.00 0.00 70.33 67.90 1ufg n THR 16 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ufg s LYS 17 N -3.66 1.03 0.65 1.09 1.02 -1.26 -5.15 119.74 113.46 1ufg s LYS 17 Ca 0.47 -0.59 -0.18 0.00 0.02 0.00 0.00 55.97 55.70 1ufg s LYS 17 Cb 0.29 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.93 1ufg s LYS 17 CO -0.16 -0.47 1.25 1.63 -0.92 0.00 0.00 175.35 176.68 1ufg n LYS 18 N -0.51 1.05 -5.21 1.68 4.01 -1.26 -5.01 118.16 112.90 1ufg n LYS 18 Ca -0.06 0.42 -0.30 0.00 -0.51 0.00 0.00 58.31 57.85 1ufg n LYS 18 Cb 0.61 -2.49 -0.16 0.00 -0.51 0.00 0.00 35.03 32.48 1ufg n LYS 18 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1ufg s ARG 19 N -3.33 2.25 0.45 1.97 3.52 -1.26 -5.05 118.95 117.50 1ufg s ARG 19 Ca 0.82 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1ufg s ARG 19 Cb -0.38 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1ufg s ARG 19 CO 0.41 0.43 0.00 1.17 -0.81 0.00 0.00 175.30 176.50 1ufg n LYS 20 N 2.77 -2.94 0.10 5.12 4.81 -1.26 -5.02 118.16 121.75 1ufg n LYS 20 Ca -0.17 2.18 0.00 0.00 -0.87 0.00 0.00 58.31 59.45 1ufg n LYS 20 Cb 0.52 -3.51 0.00 0.00 0.02 0.00 0.00 35.03 32.06 1ufg n LYS 20 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ufg n LEU 21 N -4.20 -1.20 -2.62 3.14 7.94 -1.26 -5.12 117.00 113.68 1ufg n LEU 21 Ca -0.03 0.38 -0.03 0.00 -1.11 0.00 0.00 56.01 55.22 1ufg n LEU 21 Cb 0.63 1.29 0.00 0.00 0.53 0.00 0.00 43.42 45.88 1ufg n LEU 21 CO 0.03 -0.36 -0.23 -0.62 -1.11 0.00 0.00 177.39 175.09 1ufg n GLU 22 N -3.03 -2.68 -1.94 1.96 -0.58 -1.26 -4.98 120.64 108.14 1ufg n GLU 22 Ca 0.00 2.28 -0.32 0.00 -0.42 0.00 0.00 57.16 58.70 1ufg n GLU 22 Cb 0.00 -5.02 0.02 0.00 -0.57 0.00 0.00 31.44 25.87 1ufg n GLU 22 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1ufg s SER 23 N -1.86 5.69 -0.68 1.62 0.01 -1.26 -4.91 113.70 112.31 1ufg s SER 23 Ca 0.10 1.77 -0.26 0.00 1.31 0.00 0.00 55.95 58.87 1ufg s SER 23 Cb -0.03 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1ufg s SER 23 CO 0.69 -1.23 2.02 -0.44 0.41 0.00 0.00 173.24 174.69 1ufg s SER 24 N -3.00 4.98 -0.41 2.44 0.01 -1.26 -4.77 113.70 111.69 1ufg s SER 24 Ca 0.62 0.16 0.03 0.00 1.31 0.00 0.00 55.95 58.07 1ufg s SER 24 Cb -0.16 -2.53 0.19 0.00 0.21 0.00 0.00 66.02 63.73 1ufg s SER 24 CO 0.41 -2.68 0.78 -0.70 0.41 0.00 0.00 173.24 171.45 1ufg s GLU 25 N 7.39 0.69 -0.12 12.44 2.12 -1.26 -5.04 118.70 134.91 1ufg s GLU 25 Ca 0.75 -0.39 -0.14 0.00 0.36 0.00 0.00 54.97 55.55 1ufg s GLU 25 Cb -0.12 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 1ufg s GLU 25 CO 0.15 -0.94 -0.27 0.43 -0.54 0.00 0.00 175.26 174.08 1ufg n SER 26 N 3.78 1.74 -1.49 -1.70 7.64 -1.26 -5.12 113.62 117.21 1ufg n SER 26 Ca 0.11 0.29 0.14 0.00 1.01 0.00 0.00 58.87 60.42 1ufg n SER 26 Cb 0.59 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 63.06 1ufg n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ufg n ARG 27 N -4.23 -3.52 -3.13 1.43 1.74 -1.26 -4.74 116.66 102.96 1ufg n ARG 27 Ca -0.13 2.85 -0.41 0.00 -0.77 0.00 0.00 57.85 59.39 1ufg n ARG 27 Cb 0.43 -3.95 -0.07 0.00 -1.02 0.00 0.00 32.46 27.85 1ufg n ARG 27 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ufg s SER 28 N -6.90 6.47 0.00 0.55 1.04 -1.26 -4.93 113.70 108.67 1ufg s SER 28 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1ufg s SER 28 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1ufg s SER 28 CO 0.00 -0.47 0.00 -1.54 0.98 0.00 0.00 173.24 172.21 1ufg n SER 29 N 5.86 0.00 -1.48 7.02 3.41 -1.26 -5.15 113.62 122.02 1ufg n SER 29 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.66 1ufg n SER 29 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ufg n PHE 30 N 0.00 -3.78 -1.58 7.33 3.01 -1.26 -4.27 117.46 116.90 1ufg n PHE 30 Ca 0.00 2.07 -0.42 0.00 1.01 0.00 0.00 57.45 60.11 1ufg n PHE 30 Cb 0.00 -3.27 -0.01 0.00 -0.01 0.00 0.00 39.48 36.19 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 -3.25 4.07 -3.88 4.37 7.64 0.60 -4.84 113.62 118.34 1ufg n SER 31 Ca -0.04 -2.78 -0.39 0.00 1.01 0.00 0.00 58.87 56.67 1ufg n SER 31 Cb 0.52 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.16 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 6.00 0.00 -2.82 1.43 6.02 -1.26 -4.04 117.38 122.71 1ufg n GLN 32 Ca 0.54 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.44 1ufg n GLN 32 Cb 0.37 -0.90 0.02 0.00 1.02 0.00 0.00 30.24 30.76 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 -0.61 -3.14 -3.51 1.08 8.25 0.25 -4.94 115.22 112.60 1ufg n HIS 33 Ca 0.12 -1.86 -0.19 0.00 -0.26 0.00 0.00 57.72 55.53 1ufg n HIS 33 Cb 0.31 1.32 -0.01 0.00 1.12 0.00 0.00 29.99 32.73 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 0.56 4.15 -0.30 -1.41 0.00 -1.26 -1.10 121.76 122.41 1ufg s ALA 34 Ca 0.32 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1ufg s ALA 34 Cb 0.15 -1.46 0.19 0.00 0.00 0.00 0.00 23.12 22.00 1ufg s ALA 34 CO -0.18 -0.08 0.61 1.03 0.00 0.00 0.00 175.76 177.15 1ufg s ARG 35 N -4.14 0.56 0.28 0.00 3.00 0.21 -4.93 118.95 113.92 1ufg s ARG 35 Ca 0.46 0.95 -0.17 0.00 0.00 0.00 0.00 55.73 56.97 1ufg s ARG 35 Cb -0.08 0.52 -0.09 0.00 0.00 0.00 0.00 34.95 35.30 1ufg s ARG 35 CO 0.30 -0.65 0.72 0.99 0.00 0.00 0.00 175.30 176.66 1ufg s THR 36 N 2.86 4.65 -0.48 0.02 2.01 -1.26 -1.21 115.64 122.23 1ufg s THR 36 Ca 0.19 1.06 0.06 0.00 0.31 0.00 0.00 61.69 63.32 1ufg s THR 36 Cb -0.14 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 68.84 1ufg s THR 36 CO -0.21 -0.02 0.64 -0.44 -0.69 0.00 0.00 174.62 173.90 1ufg s SER 37 N -2.02 -0.91 0.00 3.53 0.01 0.56 -4.92 113.70 109.95 1ufg s SER 37 Ca 0.49 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1ufg s SER 37 Cb -0.13 1.50 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1ufg s SER 37 CO 0.19 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1ufg n GLY 38 N 3.20 -0.35 0.11 3.44 0.00 -1.25 -4.36 105.19 105.99 1ufg n GLY 38 Ca 0.18 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.62 -3.03 1.61 1.74 -1.26 -4.87 116.66 111.48 1ufg n ARG 39 Ca 0.00 0.12 -0.28 0.00 -0.77 0.00 0.00 57.85 56.92 1ufg n ARG 39 Cb 0.00 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.46 4.93 -0.08 1.55 1.01 -1.26 0.51 120.40 124.60 1ufg s VAL 40 Ca -0.29 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1ufg s VAL 40 Cb 0.08 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ufg s VAL 40 CO 0.56 -0.52 0.19 0.00 0.00 0.00 0.00 175.10 175.32 1ufg s ALA 41 N -2.34 -0.45 -0.92 5.51 0.00 0.11 -4.56 121.76 119.10 1ufg s ALA 41 Ca 0.47 0.64 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 1ufg s ALA 41 Cb -0.10 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.51 1ufg s ALA 41 CO 0.34 -0.12 2.16 0.08 0.00 0.00 0.00 175.76 178.22 1ufg s VAL 42 N 0.48 3.22 0.16 0.00 1.01 -1.26 -0.93 120.40 123.08 1ufg s VAL 42 Ca -0.03 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1ufg s VAL 42 Cb -0.05 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ufg s VAL 42 CO -0.02 -0.44 1.51 1.21 0.00 0.00 0.00 175.10 177.36 1ufg n GLU 43 N 8.66 -0.42 -3.64 2.72 0.00 -0.84 -4.70 120.64 122.42 1ufg n GLU 43 Ca 0.44 1.48 -0.05 0.00 0.00 0.00 0.00 57.16 59.03 1ufg n GLU 43 Cb 0.45 -2.18 -0.07 0.00 0.00 0.00 0.00 31.44 29.65 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 -5.52 0.36 -0.19 5.31 2.56 -0.60 -4.98 118.70 115.64 1ufg s GLU 44 Ca -0.12 0.50 0.01 0.00 0.00 0.00 0.00 54.97 55.37 1ufg s GLU 44 Cb 0.11 0.13 0.03 0.00 2.00 0.00 0.00 34.13 36.41 1ufg s GLU 44 CO 0.61 -0.06 -0.15 0.08 -0.56 0.00 0.00 175.26 175.19 1ufg s VAL 45 N 0.68 1.86 -0.42 3.70 1.01 -1.26 0.50 120.40 126.47 1ufg s VAL 45 Ca -0.02 -1.01 -0.34 0.00 0.00 0.00 0.00 61.98 60.62 1ufg s VAL 45 Cb -0.04 -1.81 -0.12 0.00 0.00 0.00 0.00 36.38 34.41 1ufg s VAL 45 CO -0.11 0.33 2.26 -0.67 0.00 0.00 0.00 175.10 176.91 1ufg n ASP 46 N 4.64 1.96 0.03 3.32 2.03 -0.81 -4.76 116.55 122.97 1ufg n ASP 46 Ca -0.17 0.30 0.14 0.00 0.52 0.00 0.00 54.79 55.58 1ufg n ASP 46 Cb 0.48 -1.26 0.61 0.00 -0.72 0.00 0.00 41.12 40.23 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ufg h GLU 47 N 13.04 0.14 0.00 -0.67 4.11 -1.95 0.33 114.58 129.58 1ufg h GLU 47 Ca -0.24 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.13 1ufg h GLU 47 Cb 1.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1ufg h GLU 47 CO 1.07 0.09 -0.22 0.93 0.07 0.00 0.00 179.01 180.94 1ufg h GLU 48 N 0.14 0.00 -1.43 1.06 4.39 -1.87 -3.45 114.58 113.43 1ufg h GLU 48 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1ufg h GLU 48 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1ufg h GLU 48 CO -0.03 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 1ufg n GLY 49 N -0.45 -0.16 1.97 -3.84 0.00 0.12 -4.16 105.19 98.67 1ufg n GLY 49 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.21 0.00 -3.81 1.61 4.76 -1.26 -4.42 118.16 114.84 1ufg n LYS 50 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1ufg n LYS 50 Cb 0.00 -0.01 -0.07 0.00 -1.84 0.00 0.00 35.03 33.11 1ufg n LYS 50 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1ufg s PHE 51 N -1.99 0.03 -0.26 2.13 -0.12 -1.26 0.05 117.98 116.55 1ufg s PHE 51 Ca 0.00 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 1ufg s PHE 51 Cb 0.00 0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1ufg s PHE 51 CO 0.00 -0.53 -0.10 0.08 -0.05 0.00 0.00 175.22 174.62 1ufg s VAL 52 N -3.28 2.16 -0.16 -2.49 1.01 -0.01 -1.92 120.40 115.71 1ufg s VAL 52 Ca 0.00 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.12 1ufg s VAL 52 Cb 0.02 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1ufg s VAL 52 CO -0.08 -0.06 0.55 -0.60 0.00 0.00 0.00 175.10 174.90 1ufg s ARG 53 N 1.10 4.27 -0.11 2.72 3.52 0.18 -0.64 118.95 129.99 1ufg s ARG 53 Ca -0.08 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.05 1ufg s ARG 53 Cb -0.20 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1ufg s ARG 53 CO -0.05 -0.05 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.73 1ufg s LEU 54 N 1.29 1.72 0.08 -0.88 1.43 0.85 -1.55 118.68 121.61 1ufg s LEU 54 Ca 0.27 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1ufg s LEU 54 Cb -0.16 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1ufg s LEU 54 CO 0.11 0.01 -0.26 -0.60 0.23 0.00 0.00 176.35 175.84 1ufg s ARG 55 N 0.99 1.66 0.18 1.70 3.52 -0.10 0.34 118.95 127.23 1ufg s ARG 55 Ca -0.07 -1.20 -0.14 0.00 -0.13 0.00 0.00 55.73 54.19 1ufg s ARG 55 Cb -0.15 -1.96 -0.07 0.00 -1.56 0.00 0.00 34.95 31.21 1ufg s ARG 55 CO -0.02 0.49 0.58 1.21 -0.81 0.00 0.00 175.30 176.75 1ufg s ASN 56 N -1.56 6.82 -0.14 -2.12 3.84 -0.05 0.08 114.94 121.81 1ufg s ASN 56 Ca 0.13 1.10 0.06 0.00 0.21 0.00 0.00 52.86 54.36 1ufg s ASN 56 Cb -0.10 -2.30 -0.13 0.00 -0.55 0.00 0.00 41.25 38.17 1ufg s ASN 56 CO 0.04 0.05 -0.05 0.29 -2.79 0.00 0.00 177.10 174.64 1ufg n LYS 57 N 0.60 1.20 -0.65 0.43 4.76 0.18 -3.65 118.16 121.03 1ufg n LYS 57 Ca -0.04 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1ufg n LYS 57 Cb 0.52 -1.32 0.21 0.00 -1.84 0.00 0.00 35.03 32.61 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 -5.02 1.84 -0.07 4.39 1.04 -0.80 -4.72 113.70 110.36 1ufg s SER 58 Ca -0.14 1.76 0.17 0.00 0.48 0.00 0.00 55.95 58.22 1ufg s SER 58 Cb 0.05 -2.39 0.59 0.00 0.10 0.00 0.00 66.02 64.37 1ufg s SER 58 CO 0.43 -3.71 1.51 -0.46 0.98 0.00 0.00 173.24 172.00 1ufg n ASN 59 N -4.60 4.10 -4.12 7.02 6.94 -1.26 -3.16 115.26 120.17 1ufg n ASN 59 Ca 0.06 -2.30 -0.27 0.00 -0.02 0.00 0.00 54.58 52.05 1ufg n ASN 59 Cb 0.54 -0.48 -0.17 0.00 -2.36 0.00 0.00 39.78 37.31 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 -1.57 2.14 -0.30 -3.83 0.41 -1.26 -4.78 118.70 109.51 1ufg s GLU 60 Ca 0.44 -0.62 -0.41 0.00 -0.41 0.00 0.00 54.97 53.97 1ufg s GLU 60 Cb 0.27 -1.73 -0.16 0.00 -1.78 0.00 0.00 34.13 30.73 1ufg s GLU 60 CO 0.23 0.15 1.74 -0.40 -0.49 0.00 0.00 175.26 176.49 1ufg n ASP 61 N 3.50 2.30 -4.55 -0.19 5.75 -1.26 -4.23 116.55 117.87 1ufg n ASP 61 Ca -0.20 1.08 -0.42 0.00 -0.01 0.00 0.00 54.79 55.25 1ufg n ASP 61 Cb 0.52 -1.12 -0.08 0.00 -1.03 0.00 0.00 41.12 39.42 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ufg s GLN 62 N 3.55 3.54 -0.08 0.11 2.00 0.39 -4.89 119.66 124.29 1ufg s GLN 62 Ca 0.99 -0.26 -0.30 0.00 -2.00 0.00 0.00 55.36 53.79 1ufg s GLN 62 Cb -1.11 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 28.83 1ufg s GLN 62 CO 0.67 -0.67 1.42 -1.54 -0.50 0.00 0.00 175.29 174.67 1ufg s SER 63 N 1.78 6.84 -0.48 6.67 1.04 -1.26 0.16 113.70 128.44 1ufg s SER 63 Ca 0.17 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.63 1ufg s SER 63 Cb -0.16 -2.54 0.42 0.00 0.10 0.00 0.00 66.02 63.84 1ufg s SER 63 CO 0.13 -0.79 1.36 0.23 0.98 0.00 0.00 173.24 175.15 1ufg n MET 64 N 6.34 3.32 -1.84 4.02 0.00 0.18 -4.83 117.12 124.31 1ufg n MET 64 Ca 0.15 -4.15 -0.35 0.00 0.00 0.00 0.00 57.70 53.35 1ufg n MET 64 Cb 0.44 -2.27 -0.02 0.00 0.00 0.00 0.00 33.22 31.37 1ufg n MET 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ufg n GLY 65 N -0.60 4.96 0.00 3.03 0.00 -1.01 -3.90 105.19 107.67 1ufg n GLY 65 Ca 0.45 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1ufg n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ufg n ASN 66 N 1.09 0.00 -4.13 1.61 5.03 -1.25 -4.42 115.26 113.20 1ufg n ASN 66 Ca 0.55 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.65 1ufg n ASN 66 Cb 0.37 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.20 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 -3.75 -4.10 3.10 7.02 -1.25 -4.43 117.44 114.04 1ufg n TRP 67 Ca 0.00 0.10 -0.10 0.00 -1.02 0.00 0.00 57.50 56.47 1ufg n TRP 67 Cb 0.00 -1.53 -0.08 0.00 -2.42 0.00 0.00 31.31 27.28 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 -2.52 1.37 -0.16 -0.99 -0.21 0.13 0.12 119.66 117.41 1ufg s GLN 68 Ca 0.45 -1.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 1ufg s GLN 68 Cb -0.17 0.37 0.04 0.00 1.00 0.00 0.00 33.01 34.26 1ufg s GLN 68 CO 0.77 -0.52 -0.05 0.42 -2.12 0.00 0.00 175.29 173.79 1ufg s ILE 69 N -4.09 1.03 0.06 1.08 1.01 0.17 0.22 121.20 120.69 1ufg s ILE 69 Ca 0.30 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 1ufg s ILE 69 Cb 0.03 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 1ufg s ILE 69 CO 0.10 0.15 0.56 -0.13 0.00 0.00 0.00 174.94 175.62 1ufg s ARG 70 N 1.67 4.19 -0.27 2.79 0.52 0.37 0.40 118.95 128.62 1ufg s ARG 70 Ca 0.01 0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 55.89 1ufg s ARG 70 Cb -0.15 -3.25 0.09 0.00 0.52 0.00 0.00 34.95 32.17 1ufg s ARG 70 CO -0.08 0.62 0.13 0.50 0.02 0.00 0.00 175.30 176.50 1ufg s ARG 71 N -1.03 0.17 -0.34 3.54 6.06 0.60 0.12 118.95 128.07 1ufg s ARG 71 Ca 0.29 -0.42 -0.02 0.00 -2.50 0.00 0.00 55.73 53.08 1ufg s ARG 71 Cb -0.19 -1.27 0.07 0.00 0.06 0.00 0.00 34.95 33.62 1ufg s ARG 71 CO 0.18 -0.95 0.07 -1.14 -2.50 0.00 0.00 175.30 170.97 1ufg s GLN 72 N 2.12 2.22 0.06 5.12 -0.44 -0.42 -1.60 119.66 126.72 1ufg s GLN 72 Ca 0.08 -1.49 0.03 0.00 -2.50 0.00 0.00 55.36 51.47 1ufg s GLN 72 Cb -0.16 -3.32 -0.04 0.00 -1.64 0.00 0.00 33.01 27.85 1ufg s GLN 72 CO -0.31 -0.79 0.07 -0.80 0.50 0.00 0.00 175.29 173.95 1ufg s ASN 73 N 1.42 5.50 0.73 6.67 0.01 -1.26 -2.69 114.94 125.32 1ufg s ASN 73 Ca 0.01 0.00 -0.16 0.00 -0.71 0.00 0.00 52.86 52.00 1ufg s ASN 73 Cb -0.21 -1.48 0.03 0.00 0.41 0.00 0.00 41.25 40.00 1ufg s ASN 73 CO -0.03 0.19 1.20 0.61 -1.51 0.00 0.00 177.10 177.57 1ufg n GLY 74 N 0.61 0.15 4.12 0.66 0.00 -1.13 -3.08 105.19 106.53 1ufg n GLY 74 Ca -0.10 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.46 -3.28 -3.60 1.61 9.92 -1.26 -4.90 116.55 112.57 1ufg n ASP 75 Ca 0.14 -1.30 -0.03 0.00 -0.53 0.00 0.00 54.79 53.08 1ufg n ASP 75 Cb 0.49 -1.65 -0.02 0.00 -0.64 0.00 0.00 41.12 39.31 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ufg s ASP 76 N -3.67 -0.11 0.76 -2.24 1.01 -1.18 -5.16 116.67 106.08 1ufg s ASP 76 Ca 0.41 -0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.53 1ufg s ASP 76 Cb -0.23 0.14 0.04 0.00 1.01 0.00 0.00 42.92 43.88 1ufg s ASP 76 CO 0.98 -0.23 1.08 -2.16 0.21 0.00 0.00 175.17 175.05 1ufg s PRO 77 N -2.39 2.43 -0.22 8.23 0.04 -1.26 -4.65 135.00 137.18 1ufg s PRO 77 Ca 0.11 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 61.81 1ufg s PRO 77 Cb 0.01 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1ufg s PRO 77 CO -0.04 -1.41 0.14 -1.17 0.04 0.00 0.00 177.00 174.56 1ufg s LEU 78 N -5.68 4.11 0.20 -3.56 2.96 -1.26 -4.33 118.68 111.11 1ufg s LEU 78 Ca 0.60 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 1ufg s LEU 78 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1ufg s LEU 78 CO 0.54 0.12 -0.02 -0.04 -1.32 0.00 0.00 176.35 175.63 1ufg s MET 79 N 0.74 2.30 -0.30 1.98 -1.94 -0.63 -4.97 119.30 116.48 1ufg s MET 79 Ca 0.07 -1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 52.80 1ufg s MET 79 Cb -0.12 -2.27 0.11 0.00 2.01 0.00 0.00 34.83 34.56 1ufg s MET 79 CO 0.02 0.43 0.16 0.99 -0.01 0.00 0.00 175.02 176.60 1ufg s THR 80 N -1.86 -0.07 -0.74 2.05 2.01 -1.26 -0.29 115.64 115.48 1ufg s THR 80 Ca 0.28 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 1ufg s THR 80 Cb -0.08 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1ufg s THR 80 CO 0.18 -0.74 1.45 -0.47 -0.69 0.00 0.00 174.62 174.35 1ufg s TYR 81 N 1.98 2.14 -0.38 4.92 6.14 0.16 -4.75 117.35 127.56 1ufg s TYR 81 Ca 0.10 0.09 -0.26 0.00 0.64 0.00 0.00 57.07 57.64 1ufg s TYR 81 Cb -0.17 -4.49 0.02 0.00 0.42 0.00 0.00 41.96 37.74 1ufg s TYR 81 CO -0.31 -2.11 0.96 0.50 0.64 0.00 0.00 175.55 175.22 1ufg s ARG 82 N 6.01 3.82 1.05 4.97 3.52 -1.26 0.41 118.95 137.48 1ufg s ARG 82 Ca 0.45 0.58 -0.12 0.00 -0.13 0.00 0.00 55.73 56.51 1ufg s ARG 82 Cb -0.08 -3.82 0.21 0.00 -1.56 0.00 0.00 34.95 29.70 1ufg s ARG 82 CO 0.13 -1.01 0.98 1.19 -0.81 0.00 0.00 175.30 175.79 1ufg n PHE 83 N 6.91 -0.40 -2.53 5.12 3.72 0.12 -4.95 117.46 125.44 1ufg n PHE 83 Ca 0.08 0.12 -0.37 0.00 -0.05 0.00 0.00 57.45 57.23 1ufg n PHE 83 Cb 0.48 -1.82 -0.04 0.00 -0.94 0.00 0.00 39.48 37.16 1ufg n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ufg s PRO 84 N -4.40 4.16 0.00 -1.08 0.04 -1.26 -4.21 135.00 128.25 1ufg s PRO 84 Ca 0.67 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1ufg s PRO 84 Cb -0.23 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1ufg s PRO 84 CO 0.62 -0.15 0.58 -0.35 0.04 0.00 0.00 177.00 177.75 1ufg n PRO 85 N -0.06 0.75 -2.63 0.56 -0.04 -1.26 -2.63 135.00 129.69 1ufg n PRO 85 Ca 0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ufg n PRO 85 Cb 0.49 -1.24 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.40 1.45 -4.66 0.54 4.01 -1.26 -4.74 118.16 113.90 1ufg n LYS 86 Ca 0.00 -2.88 -0.24 0.00 -0.51 0.00 0.00 58.31 54.69 1ufg n LYS 86 Cb 0.29 -1.02 -0.16 0.00 -0.51 0.00 0.00 35.03 33.63 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 -2.62 1.42 -0.18 2.13 5.36 -1.08 -5.01 117.98 117.99 1ufg s PHE 87 Ca 0.24 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.78 1ufg s PHE 87 Cb 0.34 -0.97 0.06 0.00 -0.34 0.00 0.00 43.02 42.10 1ufg s PHE 87 CO -0.07 -0.15 0.03 0.99 -1.46 0.00 0.00 175.22 174.56 1ufg s THR 88 N 0.14 0.52 -0.81 0.12 2.01 -1.26 0.49 115.64 116.85 1ufg s THR 88 Ca -0.04 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 1ufg s THR 88 Cb -0.11 -0.98 0.05 0.00 0.01 0.00 0.00 72.50 71.47 1ufg s THR 88 CO 0.02 -0.16 1.26 -0.22 -0.69 0.00 0.00 174.62 174.83 1ufg s LEU 89 N 1.87 3.57 1.01 4.42 2.96 0.12 -4.87 118.68 127.76 1ufg s LEU 89 Ca -0.00 -0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 52.83 1ufg s LEU 89 Cb -0.17 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.05 1ufg s LEU 89 CO -0.08 -1.64 -0.23 0.29 -1.32 0.00 0.00 176.35 173.37 1ufg n LYS 90 N 8.80 -1.39 -2.82 1.98 5.02 -1.26 -0.46 118.16 128.03 1ufg n LYS 90 Ca 0.11 -0.40 -0.40 0.00 -2.02 0.00 0.00 58.31 55.60 1ufg n LYS 90 Cb 0.49 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.11 3.37 0.00 7.82 0.00 -1.26 -3.16 121.76 126.41 1ufg s ALA 91 Ca 0.41 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ufg s ALA 91 Cb -0.04 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1ufg s ALA 91 CO 0.50 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1ufg n GLY 92 N 1.55 0.23 3.96 0.00 0.00 -1.19 -4.95 105.19 104.79 1ufg n GLY 92 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.12 1.59 -0.05 1.61 1.11 -1.19 -4.79 119.66 116.82 1ufg s GLN 93 Ca 0.00 -0.73 -0.11 0.00 0.01 0.00 0.00 55.36 54.53 1ufg s GLN 93 Cb 0.00 -2.19 0.02 0.00 -1.01 0.00 0.00 33.01 29.83 1ufg s GLN 93 CO 0.00 -1.59 0.25 0.08 0.01 0.00 0.00 175.29 174.04 1ufg s VAL 94 N -3.32 0.04 -0.01 1.09 1.01 -1.26 -0.87 120.40 117.07 1ufg s VAL 94 Ca 0.66 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1ufg s VAL 94 Cb -0.06 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1ufg s VAL 94 CO 0.46 -0.18 -0.08 0.54 0.00 0.00 0.00 175.10 175.84 1ufg s VAL 95 N -0.72 0.65 -0.17 2.92 0.11 0.15 -4.71 120.40 118.63 1ufg s VAL 95 Ca -0.08 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1ufg s VAL 95 Cb -0.04 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1ufg s VAL 95 CO 0.02 0.20 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.03 1ufg s THR 96 N -0.03 3.44 -0.75 5.04 2.01 0.10 -0.10 115.64 125.35 1ufg s THR 96 Ca 0.01 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1ufg s THR 96 Cb -0.05 -2.51 0.19 0.00 0.01 0.00 0.00 72.50 70.14 1ufg s THR 96 CO -0.00 0.48 0.59 -0.63 -0.69 0.00 0.00 174.62 174.37 1ufg s ILE 97 N 0.78 4.00 0.89 1.82 1.09 0.19 0.19 121.20 130.16 1ufg s ILE 97 Ca -0.03 -3.38 -0.12 0.00 -1.10 0.00 0.00 60.65 56.03 1ufg s ILE 97 Cb -0.15 -3.55 0.12 0.00 -1.06 0.00 0.00 42.46 37.83 1ufg s ILE 97 CO 0.02 -0.97 1.10 0.26 -0.10 0.00 0.00 174.94 175.24 1ufg s TRP 98 N -0.65 2.41 -0.07 3.97 0.52 0.21 -0.83 118.94 124.50 1ufg s TRP 98 Ca 0.22 1.17 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 1ufg s TRP 98 Cb -0.14 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 1ufg s TRP 98 CO -0.08 -2.33 0.01 0.00 0.02 0.00 0.00 176.95 174.58 1ufg s ALA 99 N -3.01 3.32 0.27 0.98 0.00 0.11 0.44 121.76 123.88 1ufg s ALA 99 Ca 0.63 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1ufg s ALA 99 Cb -0.17 -1.48 0.68 0.00 0.00 0.00 0.00 23.12 22.15 1ufg s ALA 99 CO 0.56 0.61 1.34 0.45 0.00 0.00 0.00 175.76 178.72 1ufg n SER 100 N 1.94 -0.08 -4.17 0.00 2.88 0.12 -1.26 113.62 113.04 1ufg n SER 100 Ca -0.18 1.45 -0.44 0.00 -1.33 0.00 0.00 58.87 58.37 1ufg n SER 100 Cb 0.53 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.42 4.69 0.87 0.46 0.00 0.15 -4.40 105.19 105.55 1ufg n GLY 101 Ca 0.21 -2.63 -0.05 0.00 0.00 0.00 0.00 46.02 43.55 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 2.01 3.16 -3.90 4.61 0.00 -0.39 -4.71 120.51 121.29 1ufg n ALA 102 Ca 0.25 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 1ufg n ALA 102 Cb 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 0.00 -0.21 0.00 0.00 0.00 -1.26 -4.88 105.19 98.84 1ufg n GLY 103 Ca -0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.79 0.00 -3.65 4.61 0.00 -1.26 -5.14 120.51 111.28 1ufg n ALA 104 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 1ufg n ALA 104 Cb 0.50 0.00 -0.06 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 2.13 -0.74 -0.68 0.00 2.01 -1.26 -5.09 115.64 112.02 1ufg s THR 105 Ca 0.00 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 1ufg s THR 105 Cb 0.00 -0.93 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1ufg s THR 105 CO 0.00 0.01 2.27 -2.28 -0.69 0.00 0.00 174.62 173.94 1ufg s HIS 106 N 2.58 1.28 -0.50 4.92 2.46 -1.26 -4.42 115.29 120.35 1ufg s HIS 106 Ca -0.06 1.50 0.08 0.00 0.47 0.00 0.00 55.06 57.04 1ufg s HIS 106 Cb -0.11 -3.66 0.29 0.00 -0.13 0.00 0.00 32.58 28.98 1ufg s HIS 106 CO -0.18 -2.02 0.73 0.43 -2.47 0.00 0.00 174.74 171.23 1ufg n SER 107 N 16.30 2.28 -4.73 9.88 7.64 -0.84 -4.97 113.62 139.18 1ufg n SER 107 Ca 0.39 -3.19 -0.29 0.00 1.01 0.00 0.00 58.87 56.79 1ufg n SER 107 Cb 0.49 -0.63 0.14 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.34 1.05 0.15 1.43 0.04 0.23 0.77 135.00 136.33 1ufg s PRO 108 Ca 0.41 0.25 0.24 0.00 0.04 0.00 0.00 61.00 61.94 1ufg s PRO 108 Cb 0.23 -1.83 0.91 0.00 0.04 0.00 0.00 34.50 33.85 1ufg s PRO 108 CO -0.08 -2.25 1.73 -0.35 0.04 0.00 0.00 177.00 176.08 1ufg n PRO 109 N -3.80 0.15 0.00 0.56 -0.04 -1.26 -4.75 135.00 125.86 1ufg n PRO 109 Ca 0.07 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ufg n PRO 109 Cb 0.59 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -1.99 0.00 -2.74 0.52 -2.24 -1.19 -4.62 114.28 102.03 1ufg n THR 110 Ca 0.04 0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 62.18 1ufg n THR 110 Cb 0.30 -1.65 -0.06 0.00 -2.10 0.00 0.00 70.33 66.83 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 7.21 0.09 3.42 1.01 0.23 0.01 116.67 126.48 1ufg s ASP 111 Ca 0.00 1.87 -0.01 0.00 0.71 0.00 0.00 52.55 55.12 1ufg s ASP 111 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1ufg s ASP 111 CO 0.00 -0.17 -0.01 -0.76 0.21 0.00 0.00 175.17 174.45 1ufg s LEU 112 N -2.23 2.25 -0.11 1.23 1.43 0.49 0.76 118.68 122.50 1ufg s LEU 112 Ca 0.52 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1ufg s LEU 112 Cb -0.19 0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.24 1ufg s LEU 112 CO 0.24 -0.62 -0.10 -0.69 0.23 0.00 0.00 176.35 175.41 1ufg s VAL 113 N -3.91 1.18 -0.72 -1.59 1.01 -1.26 0.66 120.40 115.76 1ufg s VAL 113 Ca 0.14 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1ufg s VAL 113 Cb 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1ufg s VAL 113 CO -0.05 0.39 1.22 0.86 0.00 0.00 0.00 175.10 177.51 1ufg s TRP 114 N 1.49 2.37 -0.01 5.22 -0.00 0.17 -4.82 118.94 123.37 1ufg s TRP 114 Ca 0.02 -0.12 -0.19 0.00 -0.00 0.00 0.00 56.10 55.81 1ufg s TRP 114 Cb -0.13 -4.56 -0.33 0.00 -0.00 0.00 0.00 33.47 28.45 1ufg s TRP 114 CO -0.07 -1.97 0.96 0.87 -0.00 0.00 0.00 176.95 176.74 1ufg h LYS 115 N 9.92 0.43 -0.60 5.86 1.79 -1.95 0.33 116.57 132.35 1ufg h LYS 115 Ca -0.28 -0.71 0.11 0.00 -2.18 0.00 0.00 60.65 57.58 1ufg h LYS 115 Cb 1.05 0.26 -0.12 0.00 -1.58 0.00 0.00 32.23 31.85 1ufg h LYS 115 CO 1.26 1.34 -0.31 0.00 -1.08 0.00 0.00 179.45 180.65 1ufg h ALA 116 N 0.13 0.03 -1.14 3.86 0.00 -2.00 -3.42 119.26 116.73 1ufg h ALA 116 Ca -0.19 0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 1ufg h ALA 116 Cb 1.88 0.74 0.04 0.00 0.00 0.00 0.00 17.79 20.45 1ufg h ALA 116 CO 0.21 -0.64 -0.08 -0.65 0.00 0.00 0.00 179.25 178.09 1ufg s GLN 117 N -6.03 2.29 -0.04 0.00 -1.52 -1.25 -5.04 119.66 108.07 1ufg s GLN 117 Ca -0.14 -1.36 0.07 0.00 -1.95 0.00 0.00 55.36 51.97 1ufg s GLN 117 Cb 0.17 -2.58 -0.10 0.00 -0.22 0.00 0.00 33.01 30.27 1ufg s GLN 117 CO 0.70 -0.86 0.10 0.27 -0.25 0.00 0.00 175.29 175.25 1ufg n ASN 118 N -2.31 3.30 -3.54 5.90 0.23 -1.26 -3.84 115.26 113.74 1ufg n ASN 118 Ca 0.13 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 54.03 1ufg n ASN 118 Cb 0.61 1.04 -0.06 0.00 -2.08 0.00 0.00 39.78 39.29 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 -2.36 0.00 0.33 5.53 -1.32 -1.26 0.33 115.64 116.89 1ufg s THR 119 Ca -0.03 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 1ufg s THR 119 Cb 0.04 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.13 1ufg s THR 119 CO 0.30 0.00 1.81 -0.50 -2.21 0.00 0.00 174.62 174.02 1ufg h TRP 120 N 3.02 0.39 0.00 9.09 4.06 -1.86 -3.48 115.95 127.16 1ufg h TRP 120 Ca -0.25 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1ufg h TRP 120 Cb 1.15 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1ufg h TRP 120 CO 0.36 0.54 0.00 0.41 -3.56 0.00 0.00 178.44 176.19 1ufg n GLY 121 N -0.60 3.99 0.29 1.49 0.00 -1.26 -4.92 105.19 104.18 1ufg n GLY 121 Ca -0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 3.91 0.50 1.89 0.00 0.00 -1.26 -4.90 105.19 105.32 1ufg n GLY 123 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1ufg n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ufg n SER 124 N 0.00 -0.00 -4.31 1.61 3.41 -1.26 -5.01 113.62 108.06 1ufg n SER 124 Ca 0.00 0.01 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 1ufg n SER 124 Cb 0.00 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1ufg n SER 124 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ufg s SER 125 N -5.00 5.45 0.19 4.04 0.01 -1.26 -0.39 113.70 116.74 1ufg s SER 125 Ca 0.00 -1.07 0.10 0.00 1.31 0.00 0.00 55.95 56.29 1ufg s SER 125 Cb 0.00 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1ufg s SER 125 CO 0.00 -0.34 -0.20 -0.76 0.41 0.00 0.00 173.24 172.34 1ufg s LEU 126 N 1.46 2.45 -0.12 2.44 1.43 0.48 -2.82 118.68 124.00 1ufg s LEU 126 Ca -0.00 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1ufg s LEU 126 Cb -0.19 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.11 1ufg s LEU 126 CO 0.04 0.03 0.18 -0.60 0.23 0.00 0.00 176.35 176.23 1ufg s ARG 127 N -2.84 0.08 0.12 1.70 3.52 -1.10 -0.79 118.95 119.65 1ufg s ARG 127 Ca 0.19 0.44 0.05 0.00 -0.13 0.00 0.00 55.73 56.28 1ufg s ARG 127 Cb -0.06 -0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 1ufg s ARG 127 CO 0.09 -0.42 0.03 0.99 -0.81 0.00 0.00 175.30 175.18 1ufg s THR 128 N 2.30 4.13 0.01 4.11 2.01 0.06 -1.30 115.64 126.96 1ufg s THR 128 Ca 0.04 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1ufg s THR 128 Cb -0.13 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1ufg s THR 128 CO -0.08 0.04 0.33 0.00 -0.69 0.00 0.00 174.62 174.22 1ufg s ALA 129 N -1.47 -0.80 -0.10 7.40 0.00 0.12 0.03 121.76 126.94 1ufg s ALA 129 Ca 0.27 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1ufg s ALA 129 Cb -0.11 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ufg s ALA 129 CO 0.20 -0.33 -0.22 -1.17 0.00 0.00 0.00 175.76 174.24 1ufg s LEU 130 N -1.64 2.23 0.05 0.00 2.96 0.54 0.14 118.68 122.96 1ufg s LEU 130 Ca -0.10 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 1ufg s LEU 130 Cb -0.03 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1ufg s LEU 130 CO 0.01 0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.50 1ufg s ILE 131 N 0.30 3.50 0.31 6.68 -1.09 0.13 -0.75 121.20 130.28 1ufg s ILE 131 Ca -0.16 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.31 1ufg s ILE 131 Cb -0.17 -2.57 0.05 0.00 -1.58 0.00 0.00 42.46 38.18 1ufg s ILE 131 CO 0.08 0.27 0.41 -0.46 -1.23 0.00 0.00 174.94 174.00 1ufg n ASN 132 N 1.17 1.19 -0.27 3.58 0.23 -0.57 0.17 115.26 120.76 1ufg n ASN 132 Ca -0.14 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1ufg n ASN 132 Cb 0.52 -0.21 0.04 0.00 -2.08 0.00 0.00 39.78 38.06 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 -2.58 -0.42 -4.89 0.53 3.41 -1.26 -4.25 113.62 104.16 1ufg n SER 133 Ca 0.08 1.23 -0.29 0.00 -0.26 0.00 0.00 58.87 59.63 1ufg n SER 133 Cb 0.32 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 -5.71 4.83 -0.62 6.66 -4.23 -1.26 -4.82 115.64 110.48 1ufg s THR 134 Ca -0.10 0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.80 1ufg s THR 134 Cb 0.15 -3.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 1ufg s THR 134 CO 0.51 -0.84 1.78 0.61 -0.54 0.00 0.00 174.62 176.15 1ufg n GLY 135 N -2.14 2.55 2.97 3.99 0.00 -1.26 -4.76 105.19 106.54 1ufg n GLY 135 Ca 0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 4.22 0.29 0.07 1.61 2.12 -1.26 -5.03 118.70 120.71 1ufg s GLU 136 Ca 0.34 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 1ufg s GLU 136 Cb 0.09 -0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1ufg s GLU 136 CO 0.02 -0.01 0.51 -2.00 -0.54 0.00 0.00 175.26 173.23 1ufg s GLU 137 N -1.12 4.04 -0.13 4.30 2.12 -1.26 -1.50 118.70 125.15 1ufg s GLU 137 Ca -0.11 0.55 0.06 0.00 0.36 0.00 0.00 54.97 55.83 1ufg s GLU 137 Cb -0.08 -3.15 -0.12 0.00 0.26 0.00 0.00 34.13 31.05 1ufg s GLU 137 CO -0.01 0.62 -0.04 1.33 -0.54 0.00 0.00 175.26 176.62 1ufg n VAL 138 N 1.50 0.79 -3.73 3.70 0.24 0.07 -4.94 118.33 115.96 1ufg n VAL 138 Ca -0.10 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 1ufg n VAL 138 Cb 0.52 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.70 0.01 2.33 0.00 -1.25 0.21 121.76 120.08 1ufg s ALA 139 Ca -0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1ufg s ALA 139 Cb 0.04 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1ufg s ALA 139 CO 0.40 -0.51 0.12 0.00 0.00 0.00 0.00 175.76 175.77 1ufg s MET 140 N -3.21 0.48 -0.33 0.00 0.23 -0.35 -0.34 119.30 115.79 1ufg s MET 140 Ca -0.00 -0.46 -0.01 0.00 -1.03 0.00 0.00 55.69 54.19 1ufg s MET 140 Cb 0.01 0.20 0.11 0.00 -1.53 0.00 0.00 34.83 33.62 1ufg s MET 140 CO -0.08 -0.11 0.14 0.50 -2.03 0.00 0.00 175.02 173.44 1ufg s ARG 141 N -1.52 0.61 -0.25 3.16 3.52 0.10 0.63 118.95 125.21 1ufg s ARG 141 Ca -0.14 -1.07 -0.18 0.00 -0.13 0.00 0.00 55.73 54.22 1ufg s ARG 141 Cb -0.07 -1.71 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1ufg s ARG 141 CO 0.01 -1.05 0.50 0.21 -0.81 0.00 0.00 175.30 174.16 1ufg s LYS 142 N 1.53 4.09 -0.30 5.12 2.20 -0.26 -0.76 119.74 131.36 1ufg s LYS 142 Ca 0.12 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 56.01 1ufg s LYS 142 Cb -0.19 -3.63 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1ufg s LYS 142 CO -0.22 -0.30 0.00 -0.51 -0.36 0.00 0.00 175.35 173.96 1ufg s LEU 143 N 2.15 3.95 -0.18 5.43 2.01 0.03 0.87 118.68 132.94 1ufg s LEU 143 Ca 0.21 -1.33 -0.03 0.00 0.01 0.00 0.00 54.13 52.98 1ufg s LEU 143 Cb -0.16 -1.71 -0.02 0.00 0.01 0.00 0.00 46.19 44.32 1ufg s LEU 143 CO 0.09 -0.27 -0.05 -0.69 1.01 0.00 0.00 176.35 176.43 1ufg s VAL 144 N 1.23 3.53 0.21 -1.59 1.01 -1.26 -0.39 120.40 123.15 1ufg s VAL 144 Ca -0.04 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1ufg s VAL 144 Cb -0.20 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1ufg s VAL 144 CO -0.02 0.47 0.83 -0.60 0.00 0.00 0.00 175.10 175.78 1ufg s ARG 145 N 0.84 4.58 0.04 2.72 3.52 0.48 0.22 118.95 131.35 1ufg s ARG 145 Ca -0.01 1.21 -0.16 0.00 -0.13 0.00 0.00 55.73 56.63 1ufg s ARG 145 Cb -0.15 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1ufg s ARG 145 CO 0.01 0.49 0.47 0.45 -0.81 0.00 0.00 175.30 175.91 1ufg s SER 146 N -1.30 6.87 0.00 -2.12 0.15 -1.26 -4.85 113.70 111.19 1ufg s SER 146 Ca 0.40 1.04 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1ufg s SER 146 Cb -0.22 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ufg s SER 146 CO 0.26 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.59 1ufg n GLY 147 N 1.62 4.11 3.81 9.45 0.00 -1.26 -5.02 105.19 117.90 1ufg n GLY 147 Ca -0.12 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.10 2.20 0.32 1.61 0.04 -1.26 -5.00 135.00 129.81 1ufg s PRO 148 Ca 0.00 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1ufg s PRO 148 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ufg s PRO 148 CO 0.00 -1.55 0.00 0.43 0.04 0.00 0.00 177.00 175.92 1ufg n SER 149 N -3.39 -0.73 -4.72 6.66 7.64 -1.26 -5.08 113.62 112.74 1ufg n SER 149 Ca 0.07 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 1ufg n SER 149 Cb 0.56 0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 64.62 1ufg n SER 149 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ufg s SER 150 N -4.61 7.21 0.00 6.43 0.15 -1.26 -5.32 113.70 116.29 1ufg s SER 150 Ca 0.00 1.90 0.16 0.00 0.70 0.00 0.00 55.95 58.70 1ufg s SER 150 Cb 0.00 -2.58 0.94 0.00 -1.71 0.00 0.00 66.02 62.67 1ufg s SER 150 CO 0.00 -0.36 1.35 0.61 1.20 0.00 0.00 173.24 176.04