#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufg n SER 2 N 0.00 -5.95 0.00 1.61 2.88 -1.26 -5.10 113.62 105.80 1ufg n SER 2 Ca 0.00 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1ufg n SER 2 Cb 0.00 -3.03 0.00 0.00 -0.75 0.00 0.00 64.21 60.43 1ufg n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ufg n SER 3 N -1.56 0.00 -3.35 -3.46 3.41 -1.26 -5.19 113.62 102.21 1ufg n SER 3 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1ufg n SER 3 Cb 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1ufg n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ufg s GLY 4 N 0.00 0.14 0.44 5.00 0.00 -1.26 -5.19 107.32 106.45 1ufg s GLY 4 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1ufg s GLY 4 CO 0.00 0.04 0.01 -0.56 0.00 0.00 0.00 173.10 172.59 1ufg s SER 5 N -3.04 3.94 -0.60 1.64 0.01 -1.26 -5.10 113.70 109.29 1ufg s SER 5 Ca 0.14 -1.45 0.05 0.00 1.31 0.00 0.00 55.95 56.00 1ufg s SER 5 Cb -0.05 -0.13 0.17 0.00 0.21 0.00 0.00 66.02 66.23 1ufg s SER 5 CO 0.09 -0.57 0.46 -1.20 0.41 0.00 0.00 173.24 172.42 1ufg n SER 6 N -1.05 1.83 -0.44 2.44 7.64 -1.26 -5.09 113.62 117.69 1ufg n SER 6 Ca -0.09 -2.93 0.03 0.00 1.01 0.00 0.00 58.87 56.89 1ufg n SER 6 Cb 0.67 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1ufg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufg n GLY 7 N 2.19 -0.49 0.00 0.23 0.00 -1.26 -5.01 105.19 100.85 1ufg n GLY 7 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ufg n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ufg n GLN 8 N -1.24 0.00 -3.32 1.61 6.02 -1.26 -5.16 117.38 114.03 1ufg n GLN 8 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1ufg n GLN 8 Cb 0.11 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.34 1ufg n GLN 8 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ufg s SER 9 N 0.00 -0.72 0.05 1.08 0.15 -1.26 -5.17 113.70 107.83 1ufg s SER 9 Ca 0.00 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.40 1ufg s SER 9 Cb 0.00 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 66.00 1ufg s SER 9 CO 0.00 -0.14 -0.04 -1.58 1.20 0.00 0.00 173.24 172.68 1ufg s GLN 10 N 2.69 0.60 0.34 5.44 -0.44 -1.26 -5.17 119.66 121.85 1ufg s GLN 10 Ca 0.01 -1.10 0.03 0.00 -2.50 0.00 0.00 55.36 51.80 1ufg s GLN 10 Cb -0.09 0.07 -0.01 0.00 -1.64 0.00 0.00 33.01 31.34 1ufg s GLN 10 CO -0.16 -0.07 0.38 0.20 0.50 0.00 0.00 175.29 176.14 1ufg s GLY 11 N -2.59 1.94 0.00 2.59 0.00 -1.26 -5.17 107.32 102.83 1ufg s GLY 11 Ca 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1ufg s GLY 11 CO -0.07 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.40 1ufg n GLY 12 N -0.60 4.04 3.42 0.20 0.00 -1.26 -5.19 105.19 105.80 1ufg n GLY 12 Ca 0.04 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1ufg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufg s GLY 13 N 0.00 1.88 0.00 -0.02 0.00 -1.26 -5.18 107.32 102.74 1ufg s GLY 13 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1ufg s GLY 13 CO 0.00 -1.18 0.00 -1.26 0.00 0.00 0.00 173.10 170.66 1ufg n SER 14 N -1.59 0.00 -0.04 1.64 2.88 -1.26 -5.06 113.62 110.19 1ufg n SER 14 Ca 0.04 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.51 1ufg n SER 14 Cb 0.62 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.04 1ufg n SER 14 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ufg n VAL 15 N -0.04 0.49 -3.41 2.46 0.24 -1.26 -5.07 118.33 111.75 1ufg n VAL 15 Ca 0.00 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 1ufg n VAL 15 Cb 0.00 -0.84 0.03 0.00 -1.47 0.00 0.00 33.84 31.56 1ufg n VAL 15 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1ufg n THR 16 N -2.78 -5.48 -2.08 3.34 -1.04 -1.26 -4.83 114.28 100.15 1ufg n THR 16 Ca -0.15 0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 1ufg n THR 16 Cb 0.66 -4.32 -0.02 0.00 -1.82 0.00 0.00 70.33 64.83 1ufg n THR 16 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ufg s LYS 17 N -2.94 4.31 0.38 -2.82 2.20 -1.26 -5.01 119.74 114.60 1ufg s LYS 17 Ca 0.28 2.23 0.04 0.00 -0.36 0.00 0.00 55.97 58.15 1ufg s LYS 17 Cb -0.04 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1ufg s LYS 17 CO 0.86 -0.35 0.11 0.21 -0.36 0.00 0.00 175.35 175.82 1ufg s LYS 18 N -0.43 1.82 0.16 4.03 2.47 -1.26 -5.17 119.74 121.36 1ufg s LYS 18 Ca 0.58 -2.08 -0.23 0.00 -1.56 0.00 0.00 55.97 52.67 1ufg s LYS 18 Cb -0.40 -0.62 0.07 0.00 -1.46 0.00 0.00 37.83 35.42 1ufg s LYS 18 CO 0.43 -0.40 0.62 1.03 0.16 0.00 0.00 175.35 177.18 1ufg s ARG 19 N -3.77 1.29 -1.29 4.03 0.52 -1.26 -5.07 118.95 113.40 1ufg s ARG 19 Ca 0.28 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.81 1ufg s ARG 19 Cb 0.04 0.58 0.04 0.00 0.52 0.00 0.00 34.95 36.13 1ufg s ARG 19 CO 0.15 -0.57 1.81 1.17 0.02 0.00 0.00 175.30 177.88 1ufg n LYS 20 N -0.38 2.91 -3.15 3.54 3.00 -1.26 -4.71 118.16 118.11 1ufg n LYS 20 Ca -0.16 -3.09 0.05 0.00 -0.00 0.00 0.00 58.31 55.11 1ufg n LYS 20 Cb 0.64 -3.51 -0.01 0.00 0.00 0.00 0.00 35.03 32.15 1ufg n LYS 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1ufg s LEU 21 N 5.08 -0.61 0.32 3.14 1.98 -1.26 -5.14 118.68 122.19 1ufg s LEU 21 Ca 0.56 0.28 -0.26 0.00 -2.89 0.00 0.00 54.13 51.82 1ufg s LEU 21 Cb 0.04 1.47 -0.14 0.00 0.66 0.00 0.00 46.19 48.23 1ufg s LEU 21 CO 0.08 -0.11 0.86 -1.84 -1.89 0.00 0.00 176.35 173.44 1ufg n GLU 22 N 5.38 1.03 0.01 1.98 0.28 -1.26 -4.89 120.64 123.18 1ufg n GLU 22 Ca -0.02 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 1ufg n GLU 22 Cb 0.54 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.71 1ufg n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ufg n SER 23 N 1.22 0.01 -3.18 -1.84 3.41 -1.26 -5.10 113.62 106.88 1ufg n SER 23 Ca 0.11 0.03 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 1ufg n SER 23 Cb 0.34 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1ufg n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufg n SER 24 N -2.68 -6.73 -4.55 4.04 7.64 -1.26 -4.76 113.62 105.31 1ufg n SER 24 Ca 0.00 0.19 -0.50 0.00 1.01 0.00 0.00 58.87 59.57 1ufg n SER 24 Cb 0.11 -3.53 -0.05 0.00 -1.01 0.00 0.00 64.21 59.73 1ufg n SER 24 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ufg n GLU 25 N -0.24 0.90 -3.57 1.43 0.28 -1.26 -4.96 120.64 113.22 1ufg n GLU 25 Ca 0.02 0.32 -0.12 0.00 -0.16 0.00 0.00 57.16 57.22 1ufg n GLU 25 Cb 0.57 -1.78 -0.05 0.00 1.43 0.00 0.00 31.44 31.61 1ufg n GLU 25 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ufg s SER 26 N -0.06 -0.41 0.27 -1.84 0.15 -1.26 -5.13 113.70 105.43 1ufg s SER 26 Ca 0.76 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1ufg s SER 26 Cb -0.92 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1ufg s SER 26 CO 0.53 -0.38 0.00 -1.14 1.20 0.00 0.00 173.24 173.45 1ufg n ARG 27 N 0.77 -4.72 -3.51 5.44 0.63 -1.26 -4.89 116.66 109.13 1ufg n ARG 27 Ca -0.11 3.40 -0.42 0.00 -0.92 0.00 0.00 57.85 59.80 1ufg n ARG 27 Cb 0.58 -3.68 -0.07 0.00 0.45 0.00 0.00 32.46 29.74 1ufg n ARG 27 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ufg s SER 28 N -1.28 5.87 0.00 6.15 0.15 -1.26 -4.89 113.70 118.45 1ufg s SER 28 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1ufg s SER 28 Cb 0.00 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1ufg s SER 28 CO 0.00 -0.66 0.00 -1.54 1.20 0.00 0.00 173.24 172.24 1ufg n SER 29 N 4.62 0.00 -1.57 5.45 3.41 -1.26 -5.15 113.62 119.12 1ufg n SER 29 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.59 1ufg n SER 29 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 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 -4.14 -0.87 7.33 3.72 -1.26 -4.16 117.46 118.08 1ufg n PHE 30 Ca 0.00 2.25 -0.34 0.00 -0.05 0.00 0.00 57.45 59.30 1ufg n PHE 30 Cb 0.00 -3.48 -0.05 0.00 -0.94 0.00 0.00 39.48 35.01 1ufg n PHE 30 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ufg n SER 31 N -2.71 2.75 -4.40 4.37 7.64 0.57 -4.75 113.62 117.09 1ufg n SER 31 Ca -0.01 -2.51 -0.39 0.00 1.01 0.00 0.00 58.87 56.97 1ufg n SER 31 Cb 0.48 -0.98 0.02 0.00 -1.01 0.00 0.00 64.21 62.72 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 6.23 0.37 -2.83 1.43 6.02 -1.26 -3.93 117.38 123.42 1ufg n GLN 32 Ca 0.44 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 57.49 1ufg n GLN 32 Cb 0.30 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.45 -3.36 -2.77 1.08 8.25 0.43 -4.93 115.22 112.46 1ufg n HIS 33 Ca 0.11 -1.70 -0.25 0.00 -0.26 0.00 0.00 57.72 55.62 1ufg n HIS 33 Cb 0.46 1.33 0.01 0.00 1.12 0.00 0.00 29.99 32.91 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 0.69 3.54 -0.29 -1.41 0.00 -1.26 -1.14 121.76 121.89 1ufg s ALA 34 Ca 0.31 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1ufg s ALA 34 Cb 0.06 -2.37 0.19 0.00 0.00 0.00 0.00 23.12 20.99 1ufg s ALA 34 CO -0.11 -0.47 0.81 0.50 0.00 0.00 0.00 175.76 176.49 1ufg s ARG 35 N -4.70 0.36 0.31 0.00 6.06 0.22 -4.91 118.95 116.29 1ufg s ARG 35 Ca 0.49 0.38 -0.17 0.00 -2.50 0.00 0.00 55.73 53.93 1ufg s ARG 35 Cb -0.10 0.18 -0.09 0.00 0.06 0.00 0.00 34.95 35.00 1ufg s ARG 35 CO 0.41 -0.66 0.77 0.99 -2.50 0.00 0.00 175.30 174.31 1ufg s THR 36 N 2.89 4.61 -0.48 4.11 2.01 -1.26 -0.88 115.64 126.64 1ufg s THR 36 Ca 0.18 1.11 0.06 0.00 0.31 0.00 0.00 61.69 63.35 1ufg s THR 36 Cb -0.07 -3.67 0.18 0.00 0.01 0.00 0.00 72.50 68.95 1ufg s THR 36 CO -0.24 -0.11 0.63 -0.44 -0.69 0.00 0.00 174.62 173.77 1ufg s SER 37 N -2.11 -0.84 0.00 3.53 0.01 0.53 -4.92 113.70 109.91 1ufg s SER 37 Ca 0.53 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1ufg s SER 37 Cb -0.12 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.56 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 -0.52 0.03 3.44 0.00 -1.24 -4.28 105.19 105.81 1ufg n GLY 38 Ca 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.93 -3.51 1.61 1.74 -1.26 -4.91 116.66 111.27 1ufg n ARG 39 Ca 0.00 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1ufg n ARG 39 Cb 0.00 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.14 5.02 -0.02 1.55 1.01 -1.26 -0.26 120.40 124.30 1ufg s VAL 40 Ca -0.08 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1ufg s VAL 40 Cb 0.02 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1ufg s VAL 40 CO 0.18 0.16 -0.05 0.00 0.00 0.00 0.00 175.10 175.38 1ufg s ALA 41 N -1.55 0.56 -0.83 5.51 0.00 0.68 -4.60 121.76 121.52 1ufg s ALA 41 Ca 0.39 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 1ufg s ALA 41 Cb -0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1ufg s ALA 41 CO 0.20 0.08 2.22 0.08 0.00 0.00 0.00 175.76 178.34 1ufg s VAL 42 N 0.23 3.19 0.01 0.00 1.01 -1.26 -1.24 120.40 122.33 1ufg s VAL 42 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1ufg s VAL 42 Cb -0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1ufg s VAL 42 CO -0.00 -0.41 1.04 -0.08 0.00 0.00 0.00 175.10 175.65 1ufg h GLU 43 N 12.26 -0.01 -2.29 2.72 4.81 -1.65 -3.43 114.58 126.98 1ufg h GLU 43 Ca 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1ufg h GLU 43 Cb 1.01 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.16 1ufg h GLU 43 CO 1.09 -0.01 -0.16 -2.00 -0.73 0.00 0.00 179.01 177.21 1ufg s GLU 44 N -3.20 0.53 -0.28 1.92 2.56 -0.22 -4.99 118.70 115.03 1ufg s GLU 44 Ca -0.01 1.08 0.01 0.00 0.00 0.00 0.00 54.97 56.04 1ufg s GLU 44 Cb 0.01 0.19 0.05 0.00 2.00 0.00 0.00 34.13 36.38 1ufg s GLU 44 CO 0.05 -0.17 -0.06 0.08 -0.56 0.00 0.00 175.26 174.60 1ufg s VAL 45 N 1.82 2.58 -0.32 3.70 1.01 -1.26 -0.07 120.40 127.85 1ufg s VAL 45 Ca -0.08 -1.50 -0.36 0.00 0.00 0.00 0.00 61.98 60.04 1ufg s VAL 45 Cb -0.08 -2.49 -0.12 0.00 0.00 0.00 0.00 36.38 33.69 1ufg s VAL 45 CO -0.16 -0.06 2.09 -0.67 0.00 0.00 0.00 175.10 176.30 1ufg n ASP 46 N 4.53 2.24 -0.18 3.32 -0.08 -0.77 -4.79 116.55 120.82 1ufg n ASP 46 Ca -0.14 0.57 0.01 0.00 -1.51 0.00 0.00 54.79 53.73 1ufg n ASP 46 Cb 0.43 -1.24 0.28 0.00 2.34 0.00 0.00 41.12 42.92 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 11.21 0.91 -0.09 -0.67 4.11 -1.95 0.03 114.58 128.14 1ufg h GLU 47 Ca -0.31 -0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.09 1ufg h GLU 47 Cb 1.32 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ufg h GLU 47 CO 1.01 0.60 0.13 0.93 0.07 0.00 0.00 179.01 181.75 1ufg h GLU 48 N 0.94 0.00 -2.24 1.06 5.08 -1.86 -3.44 114.58 114.12 1ufg h GLU 48 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1ufg h GLU 48 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ufg h GLU 48 CO -0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1ufg n GLY 49 N -1.30 0.26 0.60 -3.84 0.00 -0.00 -4.50 105.19 96.41 1ufg n GLY 49 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.86 0.00 -3.56 1.61 5.02 -1.26 -3.97 118.16 115.14 1ufg n LYS 50 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1ufg n LYS 50 Cb 0.37 -0.65 -0.05 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.91 -0.39 -0.21 2.13 -0.71 -1.26 0.10 117.98 115.73 1ufg s PHE 51 Ca 0.00 0.30 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 1ufg s PHE 51 Cb 0.00 0.36 0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1ufg s PHE 51 CO 0.00 -0.69 -0.16 0.08 -1.34 0.00 0.00 175.22 173.10 1ufg s VAL 52 N -3.01 2.10 -0.25 -2.49 1.01 -0.25 -1.85 120.40 115.66 1ufg s VAL 52 Ca -0.02 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 1ufg s VAL 52 Cb -0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1ufg s VAL 52 CO -0.06 0.31 0.14 -0.13 0.00 0.00 0.00 175.10 175.36 1ufg s ARG 53 N 1.22 3.93 -0.05 2.72 0.52 0.89 0.41 118.95 128.59 1ufg s ARG 53 Ca -0.01 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 1ufg s ARG 53 Cb -0.16 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1ufg s ARG 53 CO -0.10 -0.05 -0.25 -0.51 0.02 0.00 0.00 175.30 174.42 1ufg s LEU 54 N 1.33 2.05 0.06 2.53 1.43 0.10 -1.06 118.68 125.14 1ufg s LEU 54 Ca 0.07 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1ufg s LEU 54 Cb -0.15 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1ufg s LEU 54 CO 0.06 0.25 -0.17 -0.60 0.23 0.00 0.00 176.35 176.12 1ufg s ARG 55 N -0.24 1.06 0.14 1.70 3.52 -0.38 0.52 118.95 125.26 1ufg s ARG 55 Ca -0.01 -0.95 -0.16 0.00 -0.13 0.00 0.00 55.73 54.48 1ufg s ARG 55 Cb -0.13 -1.16 -0.07 0.00 -1.56 0.00 0.00 34.95 32.03 1ufg s ARG 55 CO 0.03 0.28 0.58 1.21 -0.81 0.00 0.00 175.30 176.58 1ufg s ASN 56 N -1.50 6.91 -0.10 -2.12 3.84 0.24 -0.23 114.94 121.98 1ufg s ASN 56 Ca 0.03 1.17 0.11 0.00 0.21 0.00 0.00 52.86 54.38 1ufg s ASN 56 Cb -0.09 -2.32 -0.15 0.00 -0.55 0.00 0.00 41.25 38.14 1ufg s ASN 56 CO 0.02 0.14 0.07 0.29 -2.79 0.00 0.00 177.10 174.83 1ufg n LYS 57 N 1.02 1.90 -0.45 0.43 4.76 0.63 -3.63 118.16 122.81 1ufg n LYS 57 Ca -0.06 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.07 1ufg n LYS 57 Cb 0.51 -1.30 0.27 0.00 -1.84 0.00 0.00 35.03 32.68 1ufg n LYS 57 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ufg s SER 58 N -4.31 -0.11 -0.02 4.39 1.04 -0.91 -4.78 113.70 108.99 1ufg s SER 58 Ca -0.06 1.18 0.19 0.00 0.48 0.00 0.00 55.95 57.74 1ufg s SER 58 Cb 0.04 -1.77 -0.28 0.00 0.10 0.00 0.00 66.02 64.11 1ufg s SER 58 CO 0.48 -4.83 0.45 -0.46 0.98 0.00 0.00 173.24 169.87 1ufg n ASN 59 N -5.30 0.76 -4.73 7.02 0.23 -1.26 -3.45 115.26 108.52 1ufg n ASN 59 Ca 0.07 -0.12 -0.35 0.00 -0.53 0.00 0.00 54.58 53.65 1ufg n ASN 59 Cb 0.57 1.74 -0.08 0.00 -2.08 0.00 0.00 39.78 39.93 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ufg s GLU 60 N -3.21 3.43 0.15 -3.83 2.02 -1.26 -4.54 118.70 111.45 1ufg s GLU 60 Ca -0.05 -0.30 -0.33 0.00 0.02 0.00 0.00 54.97 54.31 1ufg s GLU 60 Cb 0.12 -3.05 -0.17 0.00 0.10 0.00 0.00 34.13 31.14 1ufg s GLU 60 CO 0.77 0.60 1.02 -0.25 0.02 0.00 0.00 175.26 177.42 1ufg n ASP 61 N 2.50 0.62 -4.69 -0.19 8.00 -1.26 -4.32 116.55 117.20 1ufg n ASP 61 Ca -0.18 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.09 1ufg n ASP 61 Cb 0.54 -1.11 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 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 -0.46 4.20 -0.88 -1.24 -0.44 0.64 -4.85 119.66 116.63 1ufg s GLN 62 Ca 0.74 0.14 -0.20 0.00 -2.50 0.00 0.00 55.36 53.54 1ufg s GLN 62 Cb -0.94 -3.50 0.11 0.00 -1.64 0.00 0.00 33.01 27.04 1ufg s GLN 62 CO 0.54 0.06 1.11 -1.12 0.50 0.00 0.00 175.29 176.38 1ufg s SER 63 N 0.86 6.52 -0.69 6.67 0.01 -1.26 0.67 113.70 126.48 1ufg s SER 63 Ca 0.18 -1.79 -0.05 0.00 1.31 0.00 0.00 55.95 55.60 1ufg s SER 63 Cb -0.14 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1ufg s SER 63 CO 0.07 -1.17 2.79 0.23 0.41 0.00 0.00 173.24 175.57 1ufg n MET 64 N 6.93 3.01 -3.07 12.44 0.00 0.75 -4.92 117.12 132.26 1ufg n MET 64 Ca 0.19 -2.46 -0.42 0.00 0.00 0.00 0.00 57.70 55.01 1ufg n MET 64 Cb 0.48 -2.29 -0.06 0.00 0.00 0.00 0.00 33.22 31.35 1ufg n MET 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ufg s GLY 65 N 0.67 1.74 0.00 3.03 0.00 -1.25 -3.51 107.32 107.99 1ufg s GLY 65 Ca 0.59 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ufg s GLY 65 CO -0.15 1.54 0.00 -2.01 0.00 0.00 0.00 173.10 172.48 1ufg n ASN 66 N 6.06 -1.67 -4.64 1.64 2.85 -1.01 -4.26 115.26 114.22 1ufg n ASN 66 Ca -0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1ufg n ASN 66 Cb 0.49 -0.28 0.19 0.00 1.24 0.00 0.00 39.78 41.42 1ufg n ASN 66 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1ufg s TRP 67 N -2.67 1.94 0.20 1.20 0.52 -1.23 -3.71 118.94 115.19 1ufg s TRP 67 Ca 0.00 1.04 -0.14 0.00 0.02 0.00 0.00 56.10 57.02 1ufg s TRP 67 Cb 0.00 -3.23 0.01 0.00 -1.15 0.00 0.00 33.47 29.10 1ufg s TRP 67 CO 0.00 -3.10 0.45 -0.65 0.02 0.00 0.00 176.95 173.67 1ufg s GLN 68 N -4.86 1.38 -0.23 4.98 -0.21 0.56 0.10 119.66 121.38 1ufg s GLN 68 Ca 0.66 -1.06 -0.02 0.00 0.02 0.00 0.00 55.36 54.96 1ufg s GLN 68 Cb -0.20 0.47 0.07 0.00 1.00 0.00 0.00 33.01 34.35 1ufg s GLN 68 CO 0.59 -0.56 0.04 0.42 -2.12 0.00 0.00 175.29 173.66 1ufg s ILE 69 N -3.94 0.72 0.41 1.08 1.01 0.10 0.23 121.20 120.81 1ufg s ILE 69 Ca 0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 1ufg s ILE 69 Cb 0.00 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 41.10 1ufg s ILE 69 CO 0.02 -0.32 1.04 -0.13 0.00 0.00 0.00 174.94 175.55 1ufg s ARG 70 N 1.75 4.14 -0.37 2.79 0.52 0.52 -0.26 118.95 128.04 1ufg s ARG 70 Ca 0.01 1.48 0.02 0.00 -0.52 0.00 0.00 55.73 56.72 1ufg s ARG 70 Cb -0.17 -2.49 0.15 0.00 0.52 0.00 0.00 34.95 32.96 1ufg s ARG 70 CO -0.13 -0.16 0.31 0.50 0.02 0.00 0.00 175.30 175.85 1ufg s ARG 71 N -2.59 0.62 -0.46 3.54 6.06 0.22 -0.65 118.95 125.69 1ufg s ARG 71 Ca 0.59 -1.12 -0.17 0.00 -2.50 0.00 0.00 55.73 52.53 1ufg s ARG 71 Cb -0.21 -0.98 0.05 0.00 0.06 0.00 0.00 34.95 33.87 1ufg s ARG 71 CO 0.26 -1.21 0.44 -1.14 -2.50 0.00 0.00 175.30 171.15 1ufg s GLN 72 N 1.21 3.04 0.08 5.12 -0.44 0.50 -1.98 119.66 127.18 1ufg s GLN 72 Ca 0.18 -1.04 0.04 0.00 -2.50 0.00 0.00 55.36 52.04 1ufg s GLN 72 Cb -0.18 -4.06 -0.04 0.00 -1.64 0.00 0.00 33.01 27.10 1ufg s GLN 72 CO -0.02 -0.98 0.01 -0.80 0.50 0.00 0.00 175.29 174.01 1ufg s ASN 73 N 2.26 5.12 0.48 6.67 -0.87 -1.26 -0.81 114.94 126.53 1ufg s ASN 73 Ca 0.09 -0.13 -0.22 0.00 -1.57 0.00 0.00 52.86 51.03 1ufg s ASN 73 Cb -0.20 -1.26 -0.07 0.00 -0.02 0.00 0.00 41.25 39.70 1ufg s ASN 73 CO 0.10 0.19 1.15 -0.83 -2.57 0.00 0.00 177.10 175.14 1ufg s GLY 74 N -2.24 2.73 -1.26 0.66 0.00 -0.94 -3.49 107.32 102.78 1ufg s GLY 74 Ca 0.26 0.89 -0.10 0.00 0.00 0.00 0.00 44.72 45.76 1ufg s GLY 74 CO 0.18 1.31 0.64 1.34 0.00 0.00 0.00 173.10 176.57 1ufg n ASP 75 N -0.72 -2.88 -3.58 1.64 2.03 -1.26 -4.77 116.55 107.01 1ufg n ASP 75 Ca 0.08 -0.99 0.02 0.00 0.52 0.00 0.00 54.79 54.43 1ufg n ASP 75 Cb 0.49 -3.34 -0.01 0.00 -0.72 0.00 0.00 41.12 37.54 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ufg s ASP 76 N -3.93 -0.01 0.79 1.67 1.01 -1.23 -5.05 116.67 109.93 1ufg s ASP 76 Ca 0.23 -0.01 -0.11 0.00 0.71 0.00 0.00 52.55 53.37 1ufg s ASP 76 Cb -0.08 0.01 0.07 0.00 1.01 0.00 0.00 42.92 43.92 1ufg s ASP 76 CO 0.87 -0.02 1.10 -2.16 0.21 0.00 0.00 175.17 175.16 1ufg s PRO 77 N -2.03 2.12 -0.25 8.23 0.04 -1.26 -4.67 135.00 137.18 1ufg s PRO 77 Ca 0.14 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 61.75 1ufg s PRO 77 Cb 0.05 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1ufg s PRO 77 CO -0.06 -1.60 0.10 -1.17 0.04 0.00 0.00 177.00 174.32 1ufg s LEU 78 N -5.77 3.68 0.23 -3.56 2.96 -1.26 -4.24 118.68 110.72 1ufg s LEU 78 Ca 0.61 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 1ufg s LEU 78 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1ufg s LEU 78 CO 0.54 -0.00 0.19 -0.04 -1.32 0.00 0.00 176.35 175.73 1ufg s MET 79 N 1.43 2.95 -0.33 1.98 -1.94 -0.84 -4.94 119.30 117.61 1ufg s MET 79 Ca 0.06 -1.00 -0.00 0.00 -1.71 0.00 0.00 55.69 53.04 1ufg s MET 79 Cb -0.15 -2.60 0.14 0.00 2.01 0.00 0.00 34.83 34.23 1ufg s MET 79 CO 0.05 0.42 0.26 0.99 -0.01 0.00 0.00 175.02 176.73 1ufg s THR 80 N -2.05 -0.18 -0.61 2.05 2.01 -1.26 0.72 115.64 116.33 1ufg s THR 80 Ca 0.33 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 1ufg s THR 80 Cb -0.08 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1ufg s THR 80 CO 0.25 -0.69 2.02 -0.47 -0.69 0.00 0.00 174.62 175.04 1ufg s TYR 81 N 1.71 1.51 -0.15 4.92 6.14 0.64 -4.65 117.35 127.47 1ufg s TYR 81 Ca 0.14 1.01 -0.27 0.00 0.64 0.00 0.00 57.07 58.59 1ufg s TYR 81 Cb -0.17 -3.94 -0.01 0.00 0.42 0.00 0.00 41.96 38.26 1ufg s TYR 81 CO -0.16 -2.30 0.91 0.50 0.64 0.00 0.00 175.55 175.13 1ufg s ARG 82 N 7.41 4.34 0.87 4.97 3.52 -1.26 0.02 118.95 138.81 1ufg s ARG 82 Ca 0.76 1.18 -0.12 0.00 -0.13 0.00 0.00 55.73 57.41 1ufg s ARG 82 Cb -0.13 -3.57 0.11 0.00 -1.56 0.00 0.00 34.95 29.80 1ufg s ARG 82 CO 0.20 -0.34 1.13 -0.06 -0.81 0.00 0.00 175.30 175.42 1ufg s PHE 83 N 2.17 2.65 0.78 5.12 0.08 0.29 -4.94 117.98 124.12 1ufg s PHE 83 Ca 0.42 0.91 -0.11 0.00 0.12 0.00 0.00 56.93 58.27 1ufg s PHE 83 Cb -0.17 -3.33 0.06 0.00 -0.57 0.00 0.00 43.02 39.00 1ufg s PHE 83 CO 0.14 -2.14 1.09 -1.25 -0.10 0.00 0.00 175.22 172.95 1ufg s PRO 84 N -5.28 2.27 0.00 0.24 0.04 -1.26 -4.17 135.00 126.84 1ufg s PRO 84 Ca 0.63 0.71 0.23 0.00 0.04 0.00 0.00 61.00 62.61 1ufg s PRO 84 Cb -0.14 -1.93 1.38 0.00 0.04 0.00 0.00 34.50 33.84 1ufg s PRO 84 CO 0.53 -1.51 1.76 -0.35 0.04 0.00 0.00 177.00 177.47 1ufg n PRO 85 N -3.37 0.75 -3.21 0.56 -0.04 -1.26 -2.42 135.00 126.02 1ufg n PRO 85 Ca 0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1ufg n PRO 85 Cb 0.56 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.98 0.93 -3.72 0.54 4.01 -1.26 -4.68 118.16 112.99 1ufg n LYS 86 Ca 0.17 -3.38 -0.30 0.00 -0.51 0.00 0.00 58.31 54.29 1ufg n LYS 86 Cb 0.08 -1.37 -0.13 0.00 -0.51 0.00 0.00 35.03 33.09 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 -1.47 2.02 -0.37 2.13 2.19 -1.24 -5.04 117.98 116.20 1ufg s PHE 87 Ca 0.36 -2.41 -0.16 0.00 0.33 0.00 0.00 56.93 55.05 1ufg s PHE 87 Cb 0.19 -1.92 -0.00 0.00 -1.31 0.00 0.00 43.02 39.98 1ufg s PHE 87 CO -0.10 -0.79 0.39 0.99 1.83 0.00 0.00 175.22 177.54 1ufg s THR 88 N 0.43 5.14 -0.72 0.12 2.01 -1.26 -0.17 115.64 121.18 1ufg s THR 88 Ca 0.17 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1ufg s THR 88 Cb -0.24 -3.89 0.13 0.00 0.01 0.00 0.00 72.50 68.51 1ufg s THR 88 CO -0.01 -0.19 0.82 -0.22 -0.69 0.00 0.00 174.62 174.33 1ufg s LEU 89 N 2.07 5.55 1.00 4.42 2.96 0.21 -4.90 118.68 129.99 1ufg s LEU 89 Ca 0.12 -1.81 -0.17 0.00 -0.22 0.00 0.00 54.13 52.05 1ufg s LEU 89 Cb -0.17 -2.31 -0.14 0.00 0.50 0.00 0.00 46.19 44.08 1ufg s LEU 89 CO 0.12 -1.01 -0.75 0.29 -1.32 0.00 0.00 176.35 173.68 1ufg n LYS 90 N 5.97 -0.03 -2.54 1.98 5.02 -1.26 -0.26 118.16 127.03 1ufg n LYS 90 Ca 0.03 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1ufg n LYS 90 Cb 0.45 -1.07 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.03 3.35 0.00 7.82 0.00 -1.26 -2.66 121.76 126.98 1ufg s ALA 91 Ca 0.41 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1ufg s ALA 91 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ufg s ALA 91 CO 0.81 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1ufg n GLY 92 N 2.08 0.46 3.97 0.00 0.00 -1.22 -4.93 105.19 105.55 1ufg n GLY 92 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.45 2.34 0.07 1.61 1.11 -1.09 -4.81 119.66 118.45 1ufg s GLN 93 Ca 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 55.36 54.54 1ufg s GLN 93 Cb 0.00 -2.44 -0.04 0.00 -1.01 0.00 0.00 33.01 29.52 1ufg s GLN 93 CO 0.00 -0.90 -0.05 0.54 0.01 0.00 0.00 175.29 174.89 1ufg s VAL 94 N -2.87 0.45 -0.09 1.09 0.11 -1.26 -0.60 120.40 117.24 1ufg s VAL 94 Ca 0.59 -1.87 -0.07 0.00 -2.93 0.00 0.00 61.98 57.71 1ufg s VAL 94 Cb -0.09 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1ufg s VAL 94 CO 0.40 -0.94 0.22 0.54 -3.33 0.00 0.00 175.10 171.99 1ufg s VAL 95 N -3.78 -0.01 -0.13 2.04 0.11 0.18 -4.69 120.40 114.12 1ufg s VAL 95 Ca 0.09 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1ufg s VAL 95 Cb 0.07 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1ufg s VAL 95 CO -0.07 0.02 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.74 1ufg s THR 96 N 0.46 3.48 -0.74 5.04 2.01 -0.18 0.00 115.64 125.72 1ufg s THR 96 Ca -0.03 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1ufg s THR 96 Cb -0.04 -2.49 0.18 0.00 0.01 0.00 0.00 72.50 70.16 1ufg s THR 96 CO -0.02 0.52 0.56 -0.63 -0.69 0.00 0.00 174.62 174.36 1ufg s ILE 97 N 0.23 3.41 0.87 1.82 1.09 0.17 0.16 121.20 128.95 1ufg s ILE 97 Ca -0.06 -3.95 -0.11 0.00 -1.10 0.00 0.00 60.65 55.44 1ufg s ILE 97 Cb -0.15 -3.20 0.12 0.00 -1.06 0.00 0.00 42.46 38.17 1ufg s ILE 97 CO 0.04 -1.00 1.10 0.26 -0.10 0.00 0.00 174.94 175.24 1ufg s TRP 98 N -1.20 2.19 -0.04 3.97 0.52 0.61 -1.09 118.94 123.91 1ufg s TRP 98 Ca 0.24 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.84 1ufg s TRP 98 Cb -0.09 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1ufg s TRP 98 CO -0.13 -2.37 0.00 0.00 0.02 0.00 0.00 176.95 174.47 1ufg s ALA 99 N -2.83 3.28 0.30 0.98 0.00 0.11 0.57 121.76 124.17 1ufg s ALA 99 Ca 0.64 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1ufg s ALA 99 Cb -0.19 -1.40 0.77 0.00 0.00 0.00 0.00 23.12 22.30 1ufg s ALA 99 CO 0.57 0.62 1.47 0.45 0.00 0.00 0.00 175.76 178.88 1ufg n SER 100 N 1.72 -0.07 -0.00 0.00 2.88 -0.04 0.23 113.62 118.33 1ufg n SER 100 Ca -0.16 1.59 -0.14 0.00 -1.33 0.00 0.00 58.87 58.83 1ufg n SER 100 Cb 0.53 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.99 -1.64 0.46 0.00 -1.16 -3.42 103.07 96.32 1ufg h GLY 101 Ca 0.59 0.64 -0.51 0.00 0.00 0.00 0.00 47.33 48.05 1ufg h GLY 101 CO -0.87 -0.21 -0.42 0.00 0.00 0.00 0.00 176.54 175.04 1ufg n ALA 102 N -2.99 -2.46 -1.76 3.60 0.00 0.14 -4.88 120.51 112.16 1ufg n ALA 102 Ca -0.06 -0.75 -0.36 0.00 0.00 0.00 0.00 53.44 52.27 1ufg n ALA 102 Cb 0.38 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 17.99 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 1.25 5.28 1.05 0.00 0.00 -1.26 -4.81 105.19 106.71 1ufg n GLY 103 Ca 0.07 -2.31 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.27 -0.30 -3.73 4.61 0.00 -1.26 -5.10 120.51 114.46 1ufg n ALA 104 Ca 0.53 -0.49 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1ufg n ALA 104 Cb 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.51 -0.09 -0.66 0.00 2.01 -1.26 -5.07 115.64 109.06 1ufg s THR 105 Ca 0.20 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.24 1ufg s THR 105 Cb -0.01 -0.12 -0.11 0.00 0.01 0.00 0.00 72.50 72.27 1ufg s THR 105 CO 0.14 0.13 2.42 1.57 -0.69 0.00 0.00 174.62 178.18 1ufg n HIS 106 N 4.66 1.27 -3.28 4.92 -0.00 -1.26 -4.40 115.22 117.12 1ufg n HIS 106 Ca -0.17 0.05 -0.25 0.00 0.46 0.00 0.00 57.72 57.80 1ufg n HIS 106 Cb 0.50 -2.61 -0.07 0.00 -0.12 0.00 0.00 29.99 27.69 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 17.34 2.30 -4.79 0.26 7.64 -0.98 -4.95 113.62 130.44 1ufg n SER 107 Ca 0.43 -3.16 -0.29 0.00 1.01 0.00 0.00 58.87 56.86 1ufg n SER 107 Cb 0.48 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.07 1.27 0.36 1.43 0.04 0.16 0.10 135.00 136.29 1ufg s PRO 108 Ca 0.39 0.34 0.27 0.00 0.04 0.00 0.00 61.00 62.03 1ufg s PRO 108 Cb 0.18 -1.85 0.88 0.00 0.04 0.00 0.00 34.50 33.75 1ufg s PRO 108 CO -0.06 -2.12 1.77 -1.00 0.04 0.00 0.00 177.00 175.63 1ufg h PRO 109 N -1.44 0.00 0.00 0.56 0.13 -1.99 -3.44 132.00 125.82 1ufg h PRO 109 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ufg h PRO 109 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ufg h PRO 109 CO 0.62 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 1ufg n THR 110 N -2.65 0.00 -2.39 1.56 -2.24 -1.20 -4.69 114.28 102.67 1ufg n THR 110 Ca 0.03 0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 62.04 1ufg n THR 110 Cb 0.37 -1.48 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 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 -2.23 6.26 0.15 3.42 1.01 0.28 -1.01 116.67 124.55 1ufg s ASP 111 Ca 0.00 2.14 -0.06 0.00 0.71 0.00 0.00 52.55 55.34 1ufg s ASP 111 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ufg s ASP 111 CO 0.00 -0.84 0.19 -0.76 0.21 0.00 0.00 175.17 173.96 1ufg s LEU 112 N -3.17 1.31 -0.06 1.23 1.43 0.43 0.38 118.68 120.23 1ufg s LEU 112 Ca 0.65 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1ufg s LEU 112 Cb -0.24 0.81 0.03 0.00 0.03 0.00 0.00 46.19 46.82 1ufg s LEU 112 CO 0.28 -0.82 -0.02 -0.69 0.23 0.00 0.00 176.35 175.34 1ufg s VAL 113 N -4.00 0.44 -0.88 -1.59 1.01 -1.26 -0.28 120.40 113.84 1ufg s VAL 113 Ca 0.20 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 1ufg s VAL 113 Cb 0.05 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1ufg s VAL 113 CO 0.00 0.24 1.21 0.86 0.00 0.00 0.00 175.10 177.42 1ufg s TRP 114 N 1.56 2.76 0.08 5.22 -0.00 0.19 -4.79 118.94 123.96 1ufg s TRP 114 Ca -0.01 -0.91 -0.09 0.00 -0.00 0.00 0.00 56.10 55.08 1ufg s TRP 114 Cb -0.13 -4.45 -0.24 0.00 -0.00 0.00 0.00 33.47 28.65 1ufg s TRP 114 CO -0.03 -1.72 1.16 0.87 -0.00 0.00 0.00 176.95 177.23 1ufg h LYS 115 N 9.40 0.48 -0.81 5.86 1.57 -1.95 -0.07 116.57 131.06 1ufg h LYS 115 Ca 0.04 -0.65 0.14 0.00 -1.87 0.00 0.00 60.65 58.31 1ufg h LYS 115 Cb 1.03 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 1ufg h LYS 115 CO 1.24 1.27 0.39 0.00 -0.57 0.00 0.00 179.45 181.78 1ufg h ALA 116 N 0.48 1.19 -1.01 3.86 0.00 -2.00 -3.42 119.26 118.35 1ufg h ALA 116 Ca -0.15 0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.34 1ufg h ALA 116 Cb 1.85 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1ufg h ALA 116 CO 0.21 -0.12 -0.27 -0.65 0.00 0.00 0.00 179.25 178.43 1ufg s GLN 117 N -5.99 2.41 -0.00 0.00 -1.52 -1.22 -5.04 119.66 108.29 1ufg s GLN 117 Ca -0.12 -1.69 0.05 0.00 -1.95 0.00 0.00 55.36 51.65 1ufg s GLN 117 Cb 0.21 -2.40 -0.08 0.00 -0.22 0.00 0.00 33.01 30.52 1ufg s GLN 117 CO 0.77 -0.52 0.16 0.27 -0.25 0.00 0.00 175.29 175.73 1ufg n ASN 118 N -1.83 2.37 -3.63 5.90 0.23 -1.26 -3.79 115.26 113.23 1ufg n ASN 118 Ca 0.06 -0.25 -0.06 0.00 -0.53 0.00 0.00 54.58 53.81 1ufg n ASN 118 Cb 0.62 1.15 -0.06 0.00 -2.08 0.00 0.00 39.78 39.42 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 -2.04 0.00 0.32 5.53 -1.32 -1.26 -0.70 115.64 116.16 1ufg s THR 119 Ca -0.00 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 60.83 1ufg s THR 119 Cb 0.04 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.39 1ufg s THR 119 CO 0.23 0.00 2.09 -0.50 -2.21 0.00 0.00 174.62 174.23 1ufg h TRP 120 N 2.94 0.00 0.00 9.09 4.06 -1.88 -3.47 115.95 126.69 1ufg h TRP 120 Ca -0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.75 1ufg h TRP 120 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1ufg h TRP 120 CO 0.25 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.54 1ufg n GLY 121 N -1.14 2.16 3.26 1.49 0.00 -1.26 -4.86 105.19 104.84 1ufg n GLY 121 Ca -0.02 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 1ufg n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n GLY 123 N -0.47 0.42 5.00 0.00 0.00 -1.26 -4.71 105.19 104.16 1ufg n GLY 123 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ufg n GLY 123 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufg n SER 124 N 0.00 0.00 -4.67 1.61 2.88 -1.26 -4.75 113.62 107.43 1ufg n SER 124 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1ufg n SER 124 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ufg n SER 124 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ufg s SER 125 N 0.00 7.04 0.01 -3.46 1.04 -1.26 -2.32 113.70 114.75 1ufg s SER 125 Ca 0.00 1.69 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 1ufg s SER 125 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1ufg s SER 125 CO 0.00 -0.64 0.01 -0.76 0.98 0.00 0.00 173.24 172.83 1ufg s LEU 126 N 2.75 2.05 -0.32 2.42 1.43 0.22 -2.21 118.68 125.01 1ufg s LEU 126 Ca 0.53 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1ufg s LEU 126 Cb -0.22 0.16 0.15 0.00 0.03 0.00 0.00 46.19 46.31 1ufg s LEU 126 CO 0.17 -0.21 0.36 -0.60 0.23 0.00 0.00 176.35 176.30 1ufg s ARG 127 N -0.95 0.47 0.21 1.70 3.52 0.01 -1.17 118.95 122.73 1ufg s ARG 127 Ca -0.10 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.12 1ufg s ARG 127 Cb -0.06 -0.59 -0.05 0.00 -1.56 0.00 0.00 34.95 32.69 1ufg s ARG 127 CO -0.00 -1.10 0.42 0.99 -0.81 0.00 0.00 175.30 174.80 1ufg s THR 128 N 2.05 5.15 0.08 4.11 2.01 -0.68 -0.37 115.64 127.99 1ufg s THR 128 Ca 0.12 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 1ufg s THR 128 Cb -0.14 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1ufg s THR 128 CO -0.21 -0.15 0.59 0.00 -0.69 0.00 0.00 174.62 174.16 1ufg s ALA 129 N -1.86 -1.55 -0.13 7.40 0.00 0.18 -0.63 121.76 125.16 1ufg s ALA 129 Ca 0.40 0.69 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1ufg s ALA 129 Cb -0.11 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1ufg s ALA 129 CO 0.28 -0.60 -0.17 -1.17 0.00 0.00 0.00 175.76 174.09 1ufg s LEU 130 N -2.19 2.42 -0.26 0.00 2.96 -0.08 0.20 118.68 121.72 1ufg s LEU 130 Ca -0.03 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1ufg s LEU 130 Cb -0.01 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.19 1ufg s LEU 130 CO -0.05 0.13 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.42 1ufg s ILE 131 N 0.55 2.77 1.38 6.68 -1.09 0.14 -1.33 121.20 130.29 1ufg s ILE 131 Ca -0.11 -1.18 -0.22 0.00 -2.23 0.00 0.00 60.65 56.91 1ufg s ILE 131 Cb -0.16 -2.47 0.35 0.00 -1.58 0.00 0.00 42.46 38.60 1ufg s ILE 131 CO 0.04 0.11 0.97 0.54 -1.23 0.00 0.00 174.94 175.37 1ufg s ASN 132 N 1.28 -0.66 0.22 3.58 2.20 -0.50 0.21 114.94 121.27 1ufg s ASN 132 Ca -0.02 0.80 -0.06 0.00 -0.94 0.00 0.00 52.86 52.64 1ufg s ASN 132 Cb -0.18 -1.12 0.37 0.00 -2.00 0.00 0.00 41.25 38.32 1ufg s ASN 132 CO -0.04 -5.11 1.24 -0.24 -2.94 0.00 0.00 177.10 170.00 1ufg n SER 133 N -5.46 -0.29 -4.89 3.54 2.88 -1.24 -4.28 113.62 103.89 1ufg n SER 133 Ca 0.13 1.37 -0.29 0.00 -1.33 0.00 0.00 58.87 58.74 1ufg n SER 133 Cb 0.60 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ufg s THR 134 N -6.00 4.80 -0.69 2.46 -4.23 -1.26 -4.77 115.64 105.95 1ufg s THR 134 Ca -0.12 0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1ufg s THR 134 Cb 0.21 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1ufg s THR 134 CO 0.62 -0.99 1.83 0.61 -0.54 0.00 0.00 174.62 176.15 1ufg n GLY 135 N -2.47 2.75 2.94 3.99 0.00 -1.26 -4.75 105.19 106.39 1ufg n GLY 135 Ca 0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1ufg n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufg s GLU 136 N 3.81 0.29 0.05 1.61 2.12 -1.26 -5.04 118.70 120.28 1ufg s GLU 136 Ca 0.30 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 55.22 1ufg s GLU 136 Cb 0.08 -0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.19 1ufg s GLU 136 CO -0.02 0.05 0.51 -2.00 -0.54 0.00 0.00 175.26 173.26 1ufg s GLU 137 N -0.38 4.10 -0.14 4.30 2.12 -1.26 -1.40 118.70 126.03 1ufg s GLU 137 Ca -0.02 0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.95 1ufg s GLU 137 Cb -0.03 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 31.04 1ufg s GLU 137 CO -0.00 0.66 -0.12 1.33 -0.54 0.00 0.00 175.26 176.59 1ufg n VAL 138 N 1.75 0.81 -3.97 3.70 0.24 -0.44 -4.94 118.33 115.48 1ufg n VAL 138 Ca -0.12 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 61.79 1ufg n VAL 138 Cb 0.51 -1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 31.80 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 0.11 -0.08 2.33 0.00 -1.25 0.20 121.76 120.79 1ufg s ALA 139 Ca -0.19 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1ufg s ALA 139 Cb 0.05 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1ufg s ALA 139 CO 0.33 -0.43 0.20 0.00 0.00 0.00 0.00 175.76 175.87 1ufg s MET 140 N -3.77 0.24 -0.47 0.00 0.23 -0.06 -0.90 119.30 114.57 1ufg s MET 140 Ca 0.05 0.27 0.03 0.00 -1.03 0.00 0.00 55.69 55.01 1ufg s MET 140 Cb 0.06 0.12 0.13 0.00 -1.53 0.00 0.00 34.83 33.61 1ufg s MET 140 CO -0.10 -0.03 0.24 0.50 -2.03 0.00 0.00 175.02 173.60 1ufg s ARG 141 N 0.09 1.52 0.39 3.16 3.52 0.20 0.70 118.95 128.53 1ufg s ARG 141 Ca -0.00 -2.21 -0.19 0.00 -0.13 0.00 0.00 55.73 53.20 1ufg s ARG 141 Cb -0.01 -2.67 -0.10 0.00 -1.56 0.00 0.00 34.95 30.60 1ufg s ARG 141 CO 0.00 -1.14 0.87 0.21 -0.81 0.00 0.00 175.30 174.43 1ufg s LYS 142 N 0.14 4.13 -0.27 5.12 2.20 -0.29 -1.69 119.74 129.09 1ufg s LYS 142 Ca 0.17 0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 56.66 1ufg s LYS 142 Cb -0.25 -2.27 0.13 0.00 -1.51 0.00 0.00 37.83 33.93 1ufg s LYS 142 CO 0.00 0.03 0.55 -0.51 -0.36 0.00 0.00 175.35 175.06 1ufg s LEU 143 N -3.14 -1.01 -0.09 5.43 1.02 -0.32 -0.43 118.68 120.14 1ufg s LEU 143 Ca 0.59 1.13 0.02 0.00 0.02 0.00 0.00 54.13 55.89 1ufg s LEU 143 Cb -0.09 1.90 0.01 0.00 0.02 0.00 0.00 46.19 48.03 1ufg s LEU 143 CO 0.15 -0.24 -0.14 -0.69 0.02 0.00 0.00 176.35 175.46 1ufg s VAL 144 N 2.78 1.33 0.48 -1.59 1.01 -1.25 0.69 120.40 123.84 1ufg s VAL 144 Ca 0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1ufg s VAL 144 Cb -0.13 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 1ufg s VAL 144 CO -0.17 0.40 1.00 -0.60 0.00 0.00 0.00 175.10 175.73 1ufg s ARG 145 N 0.89 3.92 -0.27 2.72 3.52 -0.98 0.21 118.95 128.97 1ufg s ARG 145 Ca -0.09 1.21 -0.14 0.00 -0.13 0.00 0.00 55.73 56.57 1ufg s ARG 145 Cb -0.15 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1ufg s ARG 145 CO 0.01 -0.31 0.34 0.45 -0.81 0.00 0.00 175.30 174.98 1ufg s SER 146 N -2.26 6.23 0.05 -2.12 0.15 -1.26 -4.82 113.70 109.67 1ufg s SER 146 Ca 0.64 0.26 -0.27 0.00 0.70 0.00 0.00 55.95 57.27 1ufg s SER 146 Cb -0.13 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1ufg s SER 146 CO 0.20 -0.15 1.18 -0.83 1.20 0.00 0.00 173.24 174.84 1ufg s GLY 147 N 1.60 -0.22 0.73 9.45 0.00 -1.26 -5.06 107.32 112.56 1ufg s GLY 147 Ca 0.14 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 1ufg s GLY 147 CO 0.10 1.77 1.07 2.56 0.00 0.00 0.00 173.10 178.60 1ufg s PRO 148 N -2.44 2.68 -0.40 2.90 0.04 -1.26 -5.03 135.00 131.50 1ufg s PRO 148 Ca 0.19 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1ufg s PRO 148 Cb 0.01 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1ufg s PRO 148 CO -0.00 -1.26 0.24 0.45 0.04 0.00 0.00 177.00 176.47 1ufg s SER 149 N -3.83 5.76 -0.20 6.66 0.15 -1.26 -5.05 113.70 115.93 1ufg s SER 149 Ca 0.59 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.06 1ufg s SER 149 Cb -0.14 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1ufg s SER 149 CO 0.55 -0.46 -0.12 -0.94 1.20 0.00 0.00 173.24 173.47 1ufg s SER 150 N 1.80 3.71 0.00 5.45 1.04 -1.26 -5.37 113.70 119.07 1ufg s SER 150 Ca 0.02 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1ufg s SER 150 Cb -0.21 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1ufg s SER 150 CO 0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.88