#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 -0.23 -0.07 1.61 1.04 -1.26 -5.19 113.70 109.61 1ufg s SER 2 Ca 0.00 -0.29 -0.32 0.00 0.48 0.00 0.00 55.95 55.82 1ufg s SER 2 Cb 0.00 0.45 0.13 0.00 0.10 0.00 0.00 66.02 66.71 1ufg s SER 2 CO 0.00 -0.81 1.34 -0.55 0.98 0.00 0.00 173.24 174.20 1ufg s SER 3 N -2.82 -0.04 0.00 7.02 0.15 -1.26 -5.19 113.70 111.56 1ufg s SER 3 Ca 0.10 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1ufg s SER 3 Cb -0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1ufg s SER 3 CO -0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ufg n GLY 4 N -0.44 -1.36 0.00 9.45 0.00 -1.26 -5.15 105.19 106.44 1ufg n GLY 4 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ufg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ufg n SER 5 N 0.93 0.00 -3.63 1.61 7.64 -1.26 -5.18 113.62 113.74 1ufg n SER 5 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1ufg n SER 5 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ufg n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ufg s SER 6 N 0.00 -0.17 -0.69 6.43 1.04 -1.26 -5.08 113.70 113.97 1ufg s SER 6 Ca 0.00 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1ufg s SER 6 Cb 0.00 0.25 0.28 0.00 0.10 0.00 0.00 66.02 66.64 1ufg s SER 6 CO 0.00 -0.10 0.90 0.61 0.98 0.00 0.00 173.24 175.63 1ufg n GLY 7 N 1.25 5.06 3.10 7.32 0.00 -1.26 -5.08 105.19 115.58 1ufg n GLY 7 Ca -0.08 -2.76 -0.36 0.00 0.00 0.00 0.00 46.02 42.82 1ufg n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLN 8 N 0.66 -0.33 -3.15 1.61 0.00 -1.26 -5.01 117.38 109.89 1ufg n GLN 8 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 57.00 57.25 1ufg n GLN 8 Cb 0.39 -1.23 -0.01 0.00 0.00 0.00 0.00 30.24 29.39 1ufg n GLN 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ufg s SER 9 N -1.28 -1.31 -0.04 2.61 1.04 -1.26 -5.15 113.70 108.31 1ufg s SER 9 Ca 0.43 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.71 1ufg s SER 9 Cb -0.06 2.09 -0.00 0.00 0.10 0.00 0.00 66.02 68.15 1ufg s SER 9 CO 0.71 -0.24 -0.16 -1.10 0.98 0.00 0.00 173.24 173.43 1ufg s GLN 10 N 2.87 1.61 0.82 4.02 -1.52 -1.26 -5.13 119.66 121.07 1ufg s GLN 10 Ca 0.19 -0.57 -0.11 0.00 -1.95 0.00 0.00 55.36 52.92 1ufg s GLN 10 Cb -0.14 -1.43 0.09 0.00 -0.22 0.00 0.00 33.01 31.31 1ufg s GLN 10 CO -0.20 0.24 1.14 0.20 -0.25 0.00 0.00 175.29 176.42 1ufg s GLY 11 N -0.00 1.83 0.27 3.09 0.00 -1.26 -5.05 107.32 106.19 1ufg s GLY 11 Ca -0.02 0.54 -0.07 0.00 0.00 0.00 0.00 44.72 45.18 1ufg s GLY 11 CO 0.01 0.94 0.40 -0.32 0.00 0.00 0.00 173.10 174.13 1ufg s GLY 12 N -2.77 1.06 0.00 0.20 0.00 -1.26 -5.17 107.32 99.38 1ufg s GLY 12 Ca 0.66 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1ufg s GLY 12 CO 0.54 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 173.33 1ufg n GLY 13 N -0.42 1.35 3.60 0.20 0.00 -1.26 -5.18 105.19 103.48 1ufg n GLY 13 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1ufg n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufg s SER 14 N 2.00 -0.67 1.04 1.61 1.04 -1.26 -5.16 113.70 112.30 1ufg s SER 14 Ca 0.00 1.13 -0.21 0.00 0.48 0.00 0.00 55.95 57.35 1ufg s SER 14 Cb 0.00 1.09 -0.04 0.00 0.10 0.00 0.00 66.02 67.17 1ufg s SER 14 CO 0.00 -0.34 -0.56 0.55 0.98 0.00 0.00 173.24 173.87 1ufg n VAL 15 N 2.05 0.00 -3.24 5.02 3.14 -1.26 -4.89 118.33 119.15 1ufg n VAL 15 Ca -0.15 -0.21 -0.39 0.00 -2.96 0.00 0.00 64.34 60.62 1ufg n VAL 15 Cb 0.56 -0.33 -0.07 0.00 -1.06 0.00 0.00 33.84 32.94 1ufg n VAL 15 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ufg s THR 16 N -2.15 5.09 -0.20 1.55 -1.32 -1.26 -4.63 115.64 112.72 1ufg s THR 16 Ca 0.47 0.92 -0.06 0.00 -1.21 0.00 0.00 61.69 61.81 1ufg s THR 16 Cb -0.07 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1ufg s THR 16 CO 0.69 0.14 0.13 0.29 -2.21 0.00 0.00 174.62 173.65 1ufg n LYS 17 N 5.12 -3.65 -3.64 7.08 4.76 -1.26 -5.06 118.16 121.50 1ufg n LYS 17 Ca -0.04 2.86 -0.04 0.00 -2.87 0.00 0.00 58.31 58.22 1ufg n LYS 17 Cb 0.50 -4.50 -0.07 0.00 -1.84 0.00 0.00 35.03 29.13 1ufg n LYS 17 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ufg s LYS 18 N -0.95 0.44 0.00 1.97 2.47 -1.26 -5.10 119.74 117.32 1ufg s LYS 18 Ca -0.15 0.74 0.00 0.00 -1.56 0.00 0.00 55.97 55.00 1ufg s LYS 18 Cb 0.01 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1ufg s LYS 18 CO 0.66 -0.09 0.00 0.54 0.16 0.00 0.00 175.35 176.63 1ufg n ARG 19 N 3.62 0.00 -3.42 4.03 3.00 -1.26 -5.05 116.66 117.58 1ufg n ARG 19 Ca -0.18 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.67 1ufg n ARG 19 Cb 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 32.46 32.70 1ufg n ARG 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ufg s LYS 20 N -0.86 0.51 -0.19 5.56 2.20 -1.26 -5.14 119.74 120.55 1ufg s LYS 20 Ca 0.00 1.13 -0.07 0.00 -0.36 0.00 0.00 55.97 56.67 1ufg s LYS 20 Cb 0.00 0.67 0.08 0.00 -1.51 0.00 0.00 37.83 37.07 1ufg s LYS 20 CO 0.00 -0.31 0.40 -1.17 -0.36 0.00 0.00 175.35 173.91 1ufg s LEU 21 N 2.82 -0.55 0.47 5.43 1.98 -1.26 -5.11 118.68 122.46 1ufg s LEU 21 Ca 0.03 0.94 0.00 0.00 -2.89 0.00 0.00 54.13 52.21 1ufg s LEU 21 Cb -0.12 1.28 0.00 0.00 0.66 0.00 0.00 46.19 48.01 1ufg s LEU 21 CO -0.19 -0.23 0.00 -0.62 -1.89 0.00 0.00 176.35 173.42 1ufg n GLU 22 N 5.27 -3.13 -3.76 1.98 4.71 -1.26 -5.01 120.64 119.44 1ufg n GLU 22 Ca -0.10 2.45 -0.13 0.00 -0.01 0.00 0.00 57.16 59.37 1ufg n GLU 22 Cb 0.50 -3.14 -0.14 0.00 -1.01 0.00 0.00 31.44 27.65 1ufg n GLU 22 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ufg s SER 23 N -5.19 -0.11 -0.29 1.62 0.15 -1.26 -5.14 113.70 103.48 1ufg s SER 23 Ca 0.00 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.68 1ufg s SER 23 Cb 0.00 0.19 0.17 0.00 -1.71 0.00 0.00 66.02 64.67 1ufg s SER 23 CO 0.00 -0.13 1.30 -0.55 1.20 0.00 0.00 173.24 175.06 1ufg s SER 24 N 0.96 -0.18 -0.27 5.45 0.15 -1.26 -5.14 113.70 113.41 1ufg s SER 24 Ca -0.07 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 1ufg s SER 24 Cb -0.10 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.62 1ufg s SER 24 CO -0.05 -0.07 0.07 -0.70 1.20 0.00 0.00 173.24 173.69 1ufg s GLU 25 N -0.05 0.77 0.61 5.44 2.56 -1.26 -5.12 118.70 121.65 1ufg s GLU 25 Ca 0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 54.97 53.98 1ufg s GLU 25 Cb -0.04 -2.07 -0.03 0.00 2.00 0.00 0.00 34.13 33.99 1ufg s GLU 25 CO -0.12 -0.85 1.12 -1.12 -0.56 0.00 0.00 175.26 173.73 1ufg s SER 26 N 1.67 5.38 -0.80 -1.70 0.01 -1.26 -4.96 113.70 112.05 1ufg s SER 26 Ca 0.05 2.08 -0.20 0.00 1.31 0.00 0.00 55.95 59.19 1ufg s SER 26 Cb -0.17 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.59 1ufg s SER 26 CO -0.19 -1.45 1.04 -0.13 0.41 0.00 0.00 173.24 172.92 1ufg s ARG 27 N -3.73 3.36 -0.33 12.44 3.00 -1.26 -4.56 118.95 127.87 1ufg s ARG 27 Ca 0.70 -1.33 -0.14 0.00 0.00 0.00 0.00 55.73 54.95 1ufg s ARG 27 Cb -0.22 -4.60 0.02 0.00 0.00 0.00 0.00 34.95 30.15 1ufg s ARG 27 CO 0.35 -1.79 0.35 0.43 0.00 0.00 0.00 175.30 174.64 1ufg n SER 28 N 7.08 -7.20 -3.58 0.23 7.64 -1.26 -5.04 113.62 111.49 1ufg n SER 28 Ca 0.10 0.60 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 1ufg n SER 28 Cb 0.47 -3.90 -0.04 0.00 -1.01 0.00 0.00 64.21 59.72 1ufg n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ufg s SER 29 N -1.82 -0.29 0.28 6.43 0.01 -1.26 -5.14 113.70 111.90 1ufg s SER 29 Ca 0.17 0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.45 1ufg s SER 29 Cb -0.03 0.25 -0.15 0.00 0.21 0.00 0.00 66.02 66.29 1ufg s SER 29 CO 0.67 -0.30 0.63 0.49 0.41 0.00 0.00 173.24 175.13 1ufg n PHE 30 N 0.56 -0.13 -0.81 2.43 3.01 -1.26 -4.67 117.46 116.59 1ufg n PHE 30 Ca -0.08 0.80 -0.32 0.00 1.01 0.00 0.00 57.45 58.86 1ufg n PHE 30 Cb 0.58 -2.03 -0.05 0.00 -0.01 0.00 0.00 39.48 37.97 1ufg n PHE 30 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ufg n SER 31 N 1.67 2.75 -4.48 4.37 2.88 0.65 -4.77 113.62 116.69 1ufg n SER 31 Ca 0.14 -2.47 -0.51 0.00 -1.33 0.00 0.00 58.87 54.70 1ufg n SER 31 Cb 0.31 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 62.77 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 6.06 0.31 -3.16 -1.46 6.02 -1.26 -4.21 117.38 119.68 1ufg n GLN 32 Ca 0.42 0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 57.43 1ufg n GLN 32 Cb 0.28 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1ufg n GLN 32 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1ufg s HIS 33 N -0.55 -0.99 0.24 1.08 -3.43 0.90 -5.00 115.29 107.54 1ufg s HIS 33 Ca 0.74 -0.55 0.08 0.00 -0.80 0.00 0.00 55.06 54.53 1ufg s HIS 33 Cb -1.00 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.09 1ufg s HIS 33 CO 0.56 -1.11 0.09 0.00 -2.00 0.00 0.00 174.74 172.28 1ufg s ALA 34 N 1.28 3.37 -0.21 -1.38 0.00 -1.26 -1.14 121.76 122.42 1ufg s ALA 34 Ca 0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 1ufg s ALA 34 Cb -0.06 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 22.10 1ufg s ALA 34 CO -0.06 0.32 0.25 1.03 0.00 0.00 0.00 175.76 177.29 1ufg s ARG 35 N -3.57 0.22 0.21 0.00 0.52 0.16 -4.95 118.95 111.54 1ufg s ARG 35 Ca 0.31 0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 55.65 1ufg s ARG 35 Cb -0.08 -1.08 -0.07 0.00 0.52 0.00 0.00 34.95 34.24 1ufg s ARG 35 CO 0.22 -0.65 0.59 0.99 0.02 0.00 0.00 175.30 176.46 1ufg s THR 36 N 2.36 4.84 -0.48 0.02 2.01 -1.26 -0.76 115.64 122.38 1ufg s THR 36 Ca 0.08 0.74 0.06 0.00 0.31 0.00 0.00 61.69 62.88 1ufg s THR 36 Cb -0.16 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 68.86 1ufg s THR 36 CO -0.13 0.06 0.63 -0.44 -0.69 0.00 0.00 174.62 174.05 1ufg s SER 37 N -2.04 -0.83 0.00 3.53 0.01 0.49 -4.93 113.70 109.94 1ufg s SER 37 Ca 0.44 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1ufg s SER 37 Cb -0.13 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1ufg s SER 37 CO 0.20 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ufg n GLY 38 N 3.24 -0.55 0.11 3.44 0.00 -1.24 -4.33 105.19 105.86 1ufg n GLY 38 Ca 0.18 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.06 1.61 1.74 -1.26 -4.84 116.66 111.53 1ufg n ARG 39 Ca 0.00 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 1ufg n ARG 39 Cb 0.00 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 1ufg n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufg s VAL 40 N -2.51 3.40 -0.14 1.55 1.01 -1.26 -0.55 120.40 121.91 1ufg s VAL 40 Ca -0.19 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1ufg s VAL 40 Cb 0.07 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1ufg s VAL 40 CO 0.74 -0.10 0.43 0.00 0.00 0.00 0.00 175.10 176.18 1ufg s ALA 41 N -2.42 -1.08 -0.99 5.51 0.00 0.15 -4.56 121.76 118.37 1ufg s ALA 41 Ca 0.52 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.34 1ufg s ALA 41 Cb -0.10 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 1ufg s ALA 41 CO 0.34 -0.22 1.97 0.08 0.00 0.00 0.00 175.76 177.93 1ufg s VAL 42 N -0.09 3.44 0.06 0.00 1.01 -1.26 -0.41 120.40 123.15 1ufg s VAL 42 Ca -0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1ufg s VAL 42 Cb -0.03 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1ufg s VAL 42 CO 0.02 -0.89 1.13 1.21 0.00 0.00 0.00 175.10 176.57 1ufg n GLU 43 N 8.64 -0.16 -3.64 2.72 0.00 -0.54 -4.66 120.64 123.00 1ufg n GLU 43 Ca 0.42 1.12 -0.06 0.00 0.00 0.00 0.00 57.16 58.64 1ufg n GLU 43 Cb 0.47 -1.66 -0.07 0.00 0.00 0.00 0.00 31.44 30.17 1ufg n GLU 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ufg s GLU 44 N -3.93 0.64 -0.33 5.31 2.56 -0.39 -4.98 118.70 117.58 1ufg s GLU 44 Ca -0.04 1.13 0.00 0.00 0.00 0.00 0.00 54.97 56.06 1ufg s GLU 44 Cb 0.04 0.15 0.08 0.00 2.00 0.00 0.00 34.13 36.40 1ufg s GLU 44 CO 0.22 -0.14 0.05 0.08 -0.56 0.00 0.00 175.26 174.91 1ufg s VAL 45 N 1.62 2.75 -0.43 3.70 1.01 -1.26 -0.08 120.40 127.70 1ufg s VAL 45 Ca -0.10 -1.85 -0.42 0.00 0.00 0.00 0.00 61.98 59.61 1ufg s VAL 45 Cb -0.05 -2.78 -0.17 0.00 0.00 0.00 0.00 36.38 33.38 1ufg s VAL 45 CO -0.19 -0.38 2.00 -0.67 0.00 0.00 0.00 175.10 175.86 1ufg n ASP 46 N 4.49 1.38 -0.23 3.32 2.03 -0.91 -4.76 116.55 121.86 1ufg n ASP 46 Ca -0.06 0.77 0.08 0.00 0.52 0.00 0.00 54.79 56.10 1ufg n ASP 46 Cb 0.42 -1.01 0.34 0.00 -0.72 0.00 0.00 41.12 40.15 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 8.80 0.75 -0.05 -0.67 4.11 -1.95 0.27 114.58 125.84 1ufg h GLU 47 Ca -0.25 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.15 1ufg h GLU 47 Cb 1.37 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ufg h GLU 47 CO 1.04 0.50 0.09 0.93 0.07 0.00 0.00 179.01 181.64 1ufg h GLU 48 N 0.77 0.00 -2.63 1.06 5.08 -1.87 -3.43 114.58 113.57 1ufg h GLU 48 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1ufg h GLU 48 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ufg h GLU 48 CO -0.14 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 1ufg n GLY 49 N -1.25 0.61 0.86 -3.84 0.00 0.94 -4.23 105.19 98.29 1ufg n GLY 49 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.19 0.07 -3.80 1.61 5.02 -1.26 -3.81 118.16 114.81 1ufg n LYS 50 Ca 0.00 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1ufg n LYS 50 Cb 0.44 -0.64 -0.07 0.00 -0.02 0.00 0.00 35.03 34.74 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 -2.06 0.04 -0.22 2.13 -0.12 -1.26 0.12 117.98 116.60 1ufg s PHE 51 Ca -0.05 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1ufg s PHE 51 Cb 0.02 0.02 0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1ufg s PHE 51 CO 0.06 -0.55 -0.13 0.08 -0.05 0.00 0.00 175.22 174.62 1ufg s VAL 52 N -3.53 2.01 -0.24 -2.49 1.01 -0.23 -2.14 120.40 114.80 1ufg s VAL 52 Ca 0.02 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 1ufg s VAL 52 Cb 0.03 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1ufg s VAL 52 CO -0.09 0.17 0.32 -0.13 0.00 0.00 0.00 175.10 175.36 1ufg s ARG 53 N 1.22 4.08 -0.13 2.72 0.52 0.89 0.14 118.95 128.39 1ufg s ARG 53 Ca -0.03 0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1ufg s ARG 53 Cb -0.17 -3.58 -0.00 0.00 0.52 0.00 0.00 34.95 31.71 1ufg s ARG 53 CO -0.08 -0.10 -0.18 -0.51 0.02 0.00 0.00 175.30 174.45 1ufg s LEU 54 N 1.52 2.36 0.11 2.53 1.43 0.14 -1.27 118.68 125.51 1ufg s LEU 54 Ca 0.14 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 1ufg s LEU 54 Cb -0.15 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1ufg s LEU 54 CO 0.08 0.12 -0.23 -0.60 0.23 0.00 0.00 176.35 175.95 1ufg s ARG 55 N 0.58 1.62 -0.12 1.70 3.52 0.45 0.39 118.95 127.09 1ufg s ARG 55 Ca -0.11 -1.24 -0.12 0.00 -0.13 0.00 0.00 55.73 54.13 1ufg s ARG 55 Cb -0.16 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 1ufg s ARG 55 CO 0.04 0.47 0.28 1.21 -0.81 0.00 0.00 175.30 176.49 1ufg s ASN 56 N -1.95 6.49 -0.12 -2.12 3.84 0.43 0.34 114.94 121.84 1ufg s ASN 56 Ca 0.15 0.57 0.15 0.00 0.21 0.00 0.00 52.86 53.94 1ufg s ASN 56 Cb -0.10 -2.17 -0.21 0.00 -0.55 0.00 0.00 41.25 38.22 1ufg s ASN 56 CO 0.07 0.21 0.13 0.29 -2.79 0.00 0.00 177.10 175.01 1ufg n LYS 57 N 2.92 1.19 -0.88 0.43 4.76 -0.04 -2.77 118.16 123.77 1ufg n LYS 57 Ca -0.14 -0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 54.95 1ufg n LYS 57 Cb 0.53 -1.41 0.17 0.00 -1.84 0.00 0.00 35.03 32.47 1ufg n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ufg s SER 58 N -4.71 2.87 0.06 4.39 0.15 0.29 -4.73 113.70 112.02 1ufg s SER 58 Ca -0.07 1.82 0.22 0.00 0.70 0.00 0.00 55.95 58.61 1ufg s SER 58 Cb 0.06 -2.41 -0.19 0.00 -1.71 0.00 0.00 66.02 61.78 1ufg s SER 58 CO 0.67 -3.07 0.73 -3.20 1.20 0.00 0.00 173.24 169.57 1ufg n ASN 59 N -4.19 0.37 -4.64 5.45 5.15 -1.26 -3.17 115.26 112.96 1ufg n ASN 59 Ca 0.08 0.05 -0.38 0.00 -0.60 0.00 0.00 54.58 53.74 1ufg n ASN 59 Cb 0.53 1.34 -0.09 0.00 -0.53 0.00 0.00 39.78 41.04 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 -3.42 4.08 -0.06 1.20 -1.05 -1.26 -4.55 118.70 113.64 1ufg s GLU 60 Ca -0.04 -0.00 -0.41 0.00 -0.15 0.00 0.00 54.97 54.37 1ufg s GLU 60 Cb 0.13 -3.58 -0.20 0.00 -0.44 0.00 0.00 34.13 30.03 1ufg s GLU 60 CO 0.86 -0.10 1.14 -0.40 0.95 0.00 0.00 175.26 177.71 1ufg n ASP 61 N 4.73 0.15 -4.66 0.83 5.75 -1.26 -4.43 116.55 117.67 1ufg n ASP 61 Ca -0.10 1.16 -0.38 0.00 -0.01 0.00 0.00 54.79 55.46 1ufg n ASP 61 Cb 0.51 -0.92 -0.08 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.37 4.12 -0.45 0.11 2.00 0.43 -4.85 119.66 121.40 1ufg s GLN 62 Ca 0.93 0.05 -0.22 0.00 -2.00 0.00 0.00 55.36 54.11 1ufg s GLN 62 Cb -1.30 -3.56 0.03 0.00 0.80 0.00 0.00 33.01 28.98 1ufg s GLN 62 CO 0.60 -0.05 0.74 -1.12 -0.50 0.00 0.00 175.29 174.95 1ufg s SER 63 N 1.15 6.38 -0.60 6.67 0.01 -1.26 0.17 113.70 126.22 1ufg s SER 63 Ca 0.15 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1ufg s SER 63 Cb -0.15 -2.36 0.44 0.00 0.21 0.00 0.00 66.02 64.16 1ufg s SER 63 CO 0.07 -0.87 1.82 0.23 0.41 0.00 0.00 173.24 174.91 1ufg n MET 64 N 6.56 2.92 -1.50 12.44 0.00 0.10 -4.82 117.12 132.83 1ufg n MET 64 Ca 0.01 -3.55 -0.37 0.00 0.00 0.00 0.00 57.70 53.79 1ufg n MET 64 Cb 0.48 -2.28 -0.03 0.00 0.00 0.00 0.00 33.22 31.38 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 -0.81 4.46 0.00 3.03 0.00 -0.72 -3.40 105.19 107.75 1ufg n GLY 65 Ca 0.57 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 2.82 0.00 -4.08 1.61 5.03 -1.22 -4.35 115.26 115.08 1ufg n ASN 66 Ca 0.70 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.79 1ufg n ASN 66 Cb 0.30 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.11 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 -4.00 -4.21 3.10 7.02 -1.22 -4.29 117.44 113.84 1ufg n TRP 67 Ca 0.00 0.10 -0.15 0.00 -1.02 0.00 0.00 57.50 56.44 1ufg n TRP 67 Cb 0.00 -1.49 -0.09 0.00 -2.42 0.00 0.00 31.31 27.32 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 -2.32 1.47 -0.11 -0.99 -0.21 0.18 0.43 119.66 118.12 1ufg s GLN 68 Ca 0.43 -1.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.04 1ufg s GLN 68 Cb -0.15 0.31 0.04 0.00 1.00 0.00 0.00 33.01 34.21 1ufg s GLN 68 CO 0.78 -0.52 0.00 0.42 -2.12 0.00 0.00 175.29 173.84 1ufg s ILE 69 N -3.82 0.48 0.18 1.08 1.01 0.26 0.47 121.20 120.86 1ufg s ILE 69 Ca 0.38 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 1ufg s ILE 69 Cb 0.04 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.73 1ufg s ILE 69 CO 0.18 0.16 0.60 -0.13 0.00 0.00 0.00 174.94 175.75 1ufg s ARG 70 N 1.92 4.03 -0.21 2.79 0.52 0.31 0.60 118.95 128.91 1ufg s ARG 70 Ca 0.04 0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 55.78 1ufg s ARG 70 Cb -0.13 -2.87 0.10 0.00 0.52 0.00 0.00 34.95 32.57 1ufg s ARG 70 CO -0.06 0.43 0.25 0.50 0.02 0.00 0.00 175.30 176.44 1ufg s ARG 71 N -2.09 0.22 -0.29 3.54 6.06 0.44 -0.21 118.95 126.63 1ufg s ARG 71 Ca 0.41 0.27 0.02 0.00 -2.50 0.00 0.00 55.73 53.92 1ufg s ARG 71 Cb -0.15 -1.07 0.08 0.00 0.06 0.00 0.00 34.95 33.88 1ufg s ARG 71 CO 0.20 -0.65 0.01 -1.14 -2.50 0.00 0.00 175.30 171.21 1ufg s GLN 72 N 2.37 1.42 0.03 5.12 -0.44 0.22 -1.36 119.66 127.02 1ufg s GLN 72 Ca 0.08 -1.32 -0.00 0.00 -2.50 0.00 0.00 55.36 51.61 1ufg s GLN 72 Cb -0.16 -2.68 -0.04 0.00 -1.64 0.00 0.00 33.01 28.49 1ufg s GLN 72 CO -0.13 -0.79 0.15 -0.80 0.50 0.00 0.00 175.29 174.22 1ufg s ASN 73 N 1.26 6.06 0.33 6.67 0.01 -1.26 -1.63 114.94 126.38 1ufg s ASN 73 Ca 0.03 0.22 -0.27 0.00 -0.71 0.00 0.00 52.86 52.12 1ufg s ASN 73 Cb -0.19 -1.81 -0.13 0.00 0.41 0.00 0.00 41.25 39.53 1ufg s ASN 73 CO -0.11 0.22 1.11 0.61 -1.51 0.00 0.00 177.10 177.43 1ufg n GLY 74 N 0.73 0.06 4.09 0.66 0.00 -1.19 -1.91 105.19 107.62 1ufg n GLY 74 Ca -0.09 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 0.93 -1.35 -3.58 1.61 8.00 -1.26 -4.93 116.55 115.96 1ufg n ASP 75 Ca 0.08 -1.18 -0.11 0.00 0.71 0.00 0.00 54.79 54.28 1ufg n ASP 75 Cb 0.35 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.12 39.19 1ufg n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ufg s ASP 76 N -4.07 -0.33 0.25 -2.24 2.15 -0.80 -5.14 116.67 106.48 1ufg s ASP 76 Ca 0.18 -0.17 -0.30 0.00 0.43 0.00 0.00 52.55 52.69 1ufg s ASP 76 Cb -0.09 0.50 -0.09 0.00 -0.30 0.00 0.00 42.92 42.94 1ufg s ASP 76 CO 0.95 -0.85 1.09 -2.16 -0.17 0.00 0.00 175.17 174.03 1ufg s PRO 77 N -3.54 4.64 -0.01 4.34 0.04 -1.26 -4.61 135.00 134.59 1ufg s PRO 77 Ca 0.01 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1ufg s PRO 77 Cb 0.01 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1ufg s PRO 77 CO -0.10 0.19 1.09 -1.17 0.04 0.00 0.00 177.00 177.04 1ufg s LEU 78 N -1.08 4.33 0.20 -3.56 0.20 -1.26 -4.64 118.68 112.86 1ufg s LEU 78 Ca 0.46 1.76 0.11 0.00 0.69 0.00 0.00 54.13 57.15 1ufg s LEU 78 Cb -0.31 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 41.84 1ufg s LEU 78 CO 0.38 -0.42 -0.21 -0.04 -0.29 0.00 0.00 176.35 175.78 1ufg s MET 79 N 1.46 1.48 -0.25 1.98 -1.94 -0.46 -5.00 119.30 116.56 1ufg s MET 79 Ca 0.54 -1.55 -0.04 0.00 -1.71 0.00 0.00 55.69 52.93 1ufg s MET 79 Cb -0.23 -1.65 0.09 0.00 2.01 0.00 0.00 34.83 35.04 1ufg s MET 79 CO 0.25 0.34 0.14 0.99 -0.01 0.00 0.00 175.02 176.73 1ufg s THR 80 N -2.01 -0.12 -0.61 2.05 2.01 -1.26 -0.42 115.64 115.29 1ufg s THR 80 Ca 0.21 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.41 1ufg s THR 80 Cb -0.06 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.63 1ufg s THR 80 CO 0.10 -0.56 1.13 -0.47 -0.69 0.00 0.00 174.62 174.13 1ufg s TYR 81 N 2.14 2.60 -0.22 4.92 6.14 0.20 -4.78 117.35 128.35 1ufg s TYR 81 Ca 0.07 0.16 -0.23 0.00 0.64 0.00 0.00 57.07 57.71 1ufg s TYR 81 Cb -0.16 -4.41 -0.01 0.00 0.42 0.00 0.00 41.96 37.80 1ufg s TYR 81 CO -0.28 -1.62 0.74 0.50 0.64 0.00 0.00 175.55 175.54 1ufg s ARG 82 N 4.78 4.20 0.97 4.97 3.52 -1.26 0.90 118.95 137.03 1ufg s ARG 82 Ca 0.37 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.66 1ufg s ARG 82 Cb -0.09 -3.62 0.17 0.00 -1.56 0.00 0.00 34.95 29.85 1ufg s ARG 82 CO 0.21 -0.40 1.08 -0.06 -0.81 0.00 0.00 175.30 175.33 1ufg s PHE 83 N 2.43 2.03 0.39 5.12 0.08 0.17 -4.96 117.98 123.24 1ufg s PHE 83 Ca 0.32 1.24 -0.24 0.00 0.12 0.00 0.00 56.93 58.37 1ufg s PHE 83 Cb -0.16 -3.19 -0.09 0.00 -0.57 0.00 0.00 43.02 39.02 1ufg s PHE 83 CO 0.09 -2.81 1.06 -1.25 -0.10 0.00 0.00 175.22 172.21 1ufg s PRO 84 N -4.83 4.20 0.00 0.24 0.04 -1.26 -4.13 135.00 129.26 1ufg s PRO 84 Ca 0.65 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ufg s PRO 84 Cb -0.20 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1ufg s PRO 84 CO 0.59 -0.12 0.72 -0.35 0.04 0.00 0.00 177.00 177.89 1ufg n PRO 85 N 0.04 0.75 -2.51 0.56 -0.04 -1.26 -2.62 135.00 129.93 1ufg n PRO 85 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1ufg n PRO 85 Cb 0.49 -1.14 0.07 0.00 -0.04 0.00 0.00 33.50 32.88 1ufg n PRO 85 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ufg n LYS 86 N 0.59 1.30 -4.63 0.54 0.00 -1.26 -4.79 118.16 109.91 1ufg n LYS 86 Ca 0.00 -2.36 -0.26 0.00 -0.00 0.00 0.00 58.31 55.70 1ufg n LYS 86 Cb 0.36 -0.57 -0.17 0.00 -0.00 0.00 0.00 35.03 34.66 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1ufg s PHE 87 N -1.75 1.60 -0.17 5.58 5.36 -1.08 -5.00 117.98 122.53 1ufg s PHE 87 Ca 0.19 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 55.54 1ufg s PHE 87 Cb 0.35 -1.16 0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1ufg s PHE 87 CO -0.08 -0.31 -0.04 0.99 -1.46 0.00 0.00 175.22 174.32 1ufg s THR 88 N 0.67 1.04 -0.81 0.12 2.01 -1.26 0.02 115.64 117.43 1ufg s THR 88 Ca -0.14 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 1ufg s THR 88 Cb -0.16 -1.27 0.08 0.00 0.01 0.00 0.00 72.50 71.16 1ufg s THR 88 CO 0.04 0.07 1.14 -0.22 -0.69 0.00 0.00 174.62 174.96 1ufg s LEU 89 N 1.66 4.26 1.04 4.42 2.96 0.46 -4.88 118.68 128.59 1ufg s LEU 89 Ca 0.00 -1.31 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 1ufg s LEU 89 Cb -0.16 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1ufg s LEU 89 CO -0.07 -1.40 -0.44 0.29 -1.32 0.00 0.00 176.35 173.40 1ufg n LYS 90 N 7.80 -0.72 -2.66 1.98 5.02 -1.26 -0.43 118.16 127.90 1ufg n LYS 90 Ca 0.12 -0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 1ufg n LYS 90 Cb 0.48 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.17 3.27 0.00 7.82 0.00 -1.26 -2.83 121.76 126.59 1ufg s ALA 91 Ca 0.49 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ufg s ALA 91 Cb -0.08 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ufg s ALA 91 CO 0.69 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1ufg n GLY 92 N 2.35 0.71 3.97 0.00 0.00 -1.12 -4.94 105.19 106.17 1ufg n GLY 92 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.12 1.68 0.07 1.61 1.11 -1.13 -4.79 119.66 118.08 1ufg s GLN 93 Ca 0.00 -0.87 -0.06 0.00 0.01 0.00 0.00 55.36 54.44 1ufg s GLN 93 Cb 0.00 -2.26 -0.01 0.00 -1.01 0.00 0.00 33.01 29.73 1ufg s GLN 93 CO 0.00 -1.49 0.11 0.54 0.01 0.00 0.00 175.29 174.46 1ufg s VAL 94 N -3.22 0.16 0.01 1.09 0.11 -1.26 -0.43 120.40 116.86 1ufg s VAL 94 Ca 0.66 -1.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.25 1ufg s VAL 94 Cb -0.06 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.49 1ufg s VAL 94 CO 0.45 -0.75 0.21 0.54 -3.33 0.00 0.00 175.10 172.23 1ufg s VAL 95 N -3.63 0.08 -0.09 2.04 0.11 0.16 -4.79 120.40 114.29 1ufg s VAL 95 Ca 0.04 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1ufg s VAL 95 Cb 0.05 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1ufg s VAL 95 CO -0.09 -0.37 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.28 1ufg s THR 96 N -1.67 1.36 -0.78 5.04 2.01 -0.50 0.27 115.64 121.38 1ufg s THR 96 Ca -0.12 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 1ufg s THR 96 Cb -0.05 -1.25 0.19 0.00 0.01 0.00 0.00 72.50 71.40 1ufg s THR 96 CO 0.01 0.41 0.62 -0.63 -0.69 0.00 0.00 174.62 174.35 1ufg s ILE 97 N 0.91 3.84 0.88 1.82 1.09 0.12 0.16 121.20 130.02 1ufg s ILE 97 Ca -0.09 -3.74 -0.11 0.00 -1.10 0.00 0.00 60.65 55.61 1ufg s ILE 97 Cb -0.15 -3.44 0.12 0.00 -1.06 0.00 0.00 42.46 37.93 1ufg s ILE 97 CO 0.00 -1.01 1.10 0.26 -0.10 0.00 0.00 174.94 175.19 1ufg s TRP 98 N -1.06 2.13 -0.08 3.97 0.52 0.36 -1.06 118.94 123.73 1ufg s TRP 98 Ca 0.24 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.84 1ufg s TRP 98 Cb -0.10 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.02 1ufg s TRP 98 CO -0.11 -2.43 0.05 0.00 0.02 0.00 0.00 176.95 174.49 1ufg s ALA 99 N -2.80 3.49 0.18 0.98 0.00 0.32 0.13 121.76 124.06 1ufg s ALA 99 Ca 0.64 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1ufg s ALA 99 Cb -0.20 -1.62 0.10 0.00 0.00 0.00 0.00 23.12 21.40 1ufg s ALA 99 CO 0.58 0.62 1.37 0.45 0.00 0.00 0.00 175.76 178.77 1ufg n SER 100 N 1.91 -0.73 -0.32 0.00 2.88 0.35 -0.11 113.62 117.61 1ufg n SER 100 Ca -0.18 1.55 -0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1ufg n SER 100 Cb 0.54 -0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.90 -2.72 0.46 0.00 0.18 -3.41 103.07 96.68 1ufg h GLY 101 Ca 0.24 0.77 -0.57 0.00 0.00 0.00 0.00 47.33 47.77 1ufg h GLY 101 CO -0.86 -0.01 -0.36 0.00 0.00 0.00 0.00 176.54 175.31 1ufg n ALA 102 N -3.19 -1.31 -0.83 3.60 0.00 0.84 -4.83 120.51 114.79 1ufg n ALA 102 Ca -0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1ufg n ALA 102 Cb 0.29 -1.87 0.04 0.00 0.00 0.00 0.00 19.45 17.91 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 1.65 3.99 3.64 0.00 0.00 -1.26 -4.79 105.19 108.43 1ufg n GLY 103 Ca 0.11 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg s ALA 104 N -1.73 0.80 -0.17 4.61 0.00 -1.26 -5.05 121.76 118.95 1ufg s ALA 104 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1ufg s ALA 104 Cb 0.23 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1ufg s ALA 104 CO -0.00 -3.18 -0.09 0.99 0.00 0.00 0.00 175.76 173.48 1ufg s THR 105 N -3.01 1.39 -0.29 0.00 2.01 -1.26 -5.07 115.64 109.41 1ufg s THR 105 Ca 0.68 -0.77 -0.32 0.00 0.31 0.00 0.00 61.69 61.59 1ufg s THR 105 Cb -0.14 -1.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1ufg s THR 105 CO 0.57 0.21 2.20 1.57 -0.69 0.00 0.00 174.62 178.47 1ufg n HIS 106 N 4.78 1.76 -3.12 4.92 -0.00 -1.26 -4.65 115.22 117.65 1ufg n HIS 106 Ca -0.14 0.11 -0.21 0.00 0.46 0.00 0.00 57.72 57.94 1ufg n HIS 106 Cb 0.48 -2.61 -0.05 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 10.53 -0.23 -4.79 0.26 7.64 -1.14 -4.97 113.62 120.91 1ufg n SER 107 Ca 0.36 -2.82 -0.29 0.00 1.01 0.00 0.00 58.87 57.13 1ufg n SER 107 Cb 0.32 -0.26 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ufg s PRO 108 N -1.02 1.30 0.15 1.43 0.04 0.65 0.18 135.00 137.73 1ufg s PRO 108 Ca 0.35 0.35 0.24 0.00 0.04 0.00 0.00 61.00 61.97 1ufg s PRO 108 Cb 0.20 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.80 1ufg s PRO 108 CO -0.13 -2.10 1.73 -0.35 0.04 0.00 0.00 177.00 176.20 1ufg n PRO 109 N -3.71 0.14 0.00 0.56 -0.04 -1.26 -4.73 135.00 125.97 1ufg n PRO 109 Ca 0.07 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ufg n PRO 109 Cb 0.59 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.97 0.00 -2.47 0.52 -2.24 -1.17 -4.72 114.28 102.22 1ufg n THR 110 Ca 0.04 0.88 -0.35 0.00 -2.27 0.00 0.00 64.05 62.36 1ufg n THR 110 Cb 0.30 -1.83 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 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 -2.10 6.32 0.01 3.42 1.01 0.48 -1.41 116.67 124.41 1ufg s ASP 111 Ca 0.00 2.03 -0.09 0.00 0.71 0.00 0.00 52.55 55.20 1ufg s ASP 111 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1ufg s ASP 111 CO 0.00 -0.80 0.17 -0.76 0.21 0.00 0.00 175.17 173.99 1ufg s LEU 112 N -3.30 1.44 -0.14 1.23 1.43 0.42 -0.25 118.68 119.50 1ufg s LEU 112 Ca 0.66 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1ufg s LEU 112 Cb -0.20 0.81 0.02 0.00 0.03 0.00 0.00 46.19 46.85 1ufg s LEU 112 CO 0.24 -0.43 -0.15 -0.69 0.23 0.00 0.00 176.35 175.54 1ufg s VAL 113 N -1.72 1.63 -0.78 -1.59 1.01 -1.26 0.14 120.40 117.83 1ufg s VAL 113 Ca -0.12 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1ufg s VAL 113 Cb -0.05 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ufg s VAL 113 CO 0.00 0.47 1.22 0.86 0.00 0.00 0.00 175.10 177.65 1ufg s TRP 114 N 1.32 2.49 -0.03 5.22 -0.00 0.12 -4.82 118.94 123.25 1ufg s TRP 114 Ca 0.02 -0.41 -0.21 0.00 -0.00 0.00 0.00 56.10 55.49 1ufg s TRP 114 Cb -0.13 -4.53 -0.29 0.00 -0.00 0.00 0.00 33.47 28.52 1ufg s TRP 114 CO -0.09 -1.90 0.97 0.87 -0.00 0.00 0.00 176.95 176.80 1ufg h LYS 115 N 9.79 0.34 -0.95 5.86 1.57 -1.95 0.10 116.57 131.32 1ufg h LYS 115 Ca -0.17 -0.49 0.13 0.00 -1.87 0.00 0.00 60.65 58.26 1ufg h LYS 115 Cb 1.05 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 1ufg h LYS 115 CO 1.27 1.19 -0.43 0.00 -0.57 0.00 0.00 179.45 180.91 1ufg h ALA 116 N 0.17 -0.04 -1.47 3.86 0.00 -2.01 -3.40 119.26 116.37 1ufg h ALA 116 Ca -0.12 0.23 -0.46 0.00 0.00 0.00 0.00 54.91 54.56 1ufg h ALA 116 Cb 1.52 1.08 0.07 0.00 0.00 0.00 0.00 17.79 20.47 1ufg h ALA 116 CO 0.14 -0.71 0.08 -0.65 0.00 0.00 0.00 179.25 178.10 1ufg s GLN 117 N -5.84 1.88 -0.04 0.00 -1.52 -1.25 -5.04 119.66 107.85 1ufg s GLN 117 Ca -0.13 -1.02 0.05 0.00 -1.95 0.00 0.00 55.36 52.31 1ufg s GLN 117 Cb 0.18 -2.36 -0.08 0.00 -0.22 0.00 0.00 33.01 30.53 1ufg s GLN 117 CO 0.69 -1.28 0.06 0.27 -0.25 0.00 0.00 175.29 174.78 1ufg n ASN 118 N -2.73 3.60 -3.64 5.90 0.23 -1.26 -4.07 115.26 113.29 1ufg n ASN 118 Ca 0.13 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 54.12 1ufg n ASN 118 Cb 0.60 0.87 -0.07 0.00 -2.08 0.00 0.00 39.78 39.11 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 -2.24 -0.05 0.26 5.53 -1.32 -1.26 0.19 115.64 116.75 1ufg s THR 119 Ca -0.03 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1ufg s THR 119 Cb 0.02 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.29 1ufg s THR 119 CO 0.24 0.00 1.66 -0.50 -2.21 0.00 0.00 174.62 173.81 1ufg h TRP 120 N 6.89 0.24 0.00 9.09 4.06 -1.86 -3.47 115.95 130.90 1ufg h TRP 120 Ca -0.29 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1ufg h TRP 120 Cb 1.22 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1ufg h TRP 120 CO 0.07 -0.17 0.00 0.41 -3.56 0.00 0.00 178.44 175.19 1ufg n GLY 121 N -1.38 4.41 1.13 1.49 0.00 -1.26 -4.90 105.19 104.67 1ufg n GLY 121 Ca 0.17 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 3.11 4.01 0.51 0.00 0.00 -1.26 -4.64 105.19 106.92 1ufg n GLY 123 Ca -0.06 -1.40 0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 0.18 -3.52 1.61 4.64 -1.96 -3.36 113.55 111.14 1ufg h SER 124 Ca 0.00 0.06 -0.68 0.00 -0.47 0.00 0.00 61.79 60.70 1ufg h SER 124 Cb 0.00 0.04 -0.33 0.00 -0.31 0.00 0.00 62.40 61.81 1ufg h SER 124 CO 0.00 -0.04 -0.88 -0.44 -0.87 0.00 0.00 176.83 174.60 1ufg s SER 125 N -4.76 3.06 0.05 4.97 0.01 -1.26 0.17 113.70 115.93 1ufg s SER 125 Ca -0.07 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1ufg s SER 125 Cb 0.26 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 1ufg s SER 125 CO 0.82 0.18 -0.12 -0.76 0.41 0.00 0.00 173.24 173.78 1ufg s LEU 126 N 0.21 2.23 -0.21 2.44 1.43 0.17 -3.19 118.68 121.76 1ufg s LEU 126 Ca -0.15 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1ufg s LEU 126 Cb -0.17 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.71 1ufg s LEU 126 CO 0.07 -0.08 0.07 -0.60 0.23 0.00 0.00 176.35 176.04 1ufg s ARG 127 N -1.45 0.45 0.03 1.70 3.52 -0.65 -1.40 118.95 121.15 1ufg s ARG 127 Ca -0.03 -0.42 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1ufg s ARG 127 Cb -0.09 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 1ufg s ARG 127 CO 0.01 -0.73 -0.13 0.99 -0.81 0.00 0.00 175.30 174.63 1ufg s THR 128 N 1.94 3.16 0.06 4.11 2.01 -0.63 0.71 115.64 126.99 1ufg s THR 128 Ca 0.02 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1ufg s THR 128 Cb -0.17 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1ufg s THR 128 CO -0.14 0.35 0.05 0.00 -0.69 0.00 0.00 174.62 174.20 1ufg s ALA 129 N -0.97 0.18 -0.10 7.40 0.00 0.70 -0.18 121.76 128.80 1ufg s ALA 129 Ca 0.16 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1ufg s ALA 129 Cb -0.11 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1ufg s ALA 129 CO 0.07 -0.39 -0.21 -1.17 0.00 0.00 0.00 175.76 174.06 1ufg s LEU 130 N -2.68 2.00 0.08 0.00 2.96 0.85 0.12 118.68 122.00 1ufg s LEU 130 Ca 0.03 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1ufg s LEU 130 Cb 0.05 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1ufg s LEU 130 CO -0.09 0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.39 1ufg s ILE 131 N 0.49 3.76 0.20 6.68 -1.09 0.18 -0.31 121.20 131.11 1ufg s ILE 131 Ca -0.16 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.27 1ufg s ILE 131 Cb -0.17 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.99 1ufg s ILE 131 CO 0.06 0.17 0.26 -0.46 -1.23 0.00 0.00 174.94 173.75 1ufg n ASN 132 N 0.81 0.80 -0.31 3.58 0.23 -0.63 0.50 115.26 120.24 1ufg n ASN 132 Ca -0.12 -1.54 0.14 0.00 -0.53 0.00 0.00 54.58 52.52 1ufg n ASN 132 Cb 0.52 -0.14 0.27 0.00 -2.08 0.00 0.00 39.78 38.35 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 -2.70 -0.09 -4.92 0.53 3.41 -1.26 -4.29 113.62 104.29 1ufg n SER 133 Ca 0.05 1.50 -0.26 0.00 -0.26 0.00 0.00 58.87 59.90 1ufg n SER 133 Cb 0.21 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 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 -5.84 5.00 -0.71 6.66 -4.23 -1.26 -4.73 115.64 110.53 1ufg s THR 134 Ca -0.11 -0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1ufg s THR 134 Cb 0.26 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.21 1ufg s THR 134 CO 0.69 -0.66 1.86 0.61 -0.54 0.00 0.00 174.62 176.58 1ufg n GLY 135 N -1.89 2.77 2.90 3.99 0.00 -1.26 -4.74 105.19 106.96 1ufg n GLY 135 Ca -0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 3.82 0.04 0.24 1.61 2.12 -1.26 -5.03 118.70 120.24 1ufg s GLU 136 Ca 0.32 0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.42 1ufg s GLU 136 Cb 0.08 0.01 -0.09 0.00 0.26 0.00 0.00 34.13 34.39 1ufg s GLU 136 CO -0.02 -0.01 0.92 -2.00 -0.54 0.00 0.00 175.26 173.61 1ufg s GLU 137 N 0.07 4.79 -0.08 4.30 2.12 -1.26 -1.60 118.70 127.04 1ufg s GLU 137 Ca -0.00 1.42 0.07 0.00 0.36 0.00 0.00 54.97 56.82 1ufg s GLU 137 Cb -0.01 -3.22 -0.10 0.00 0.26 0.00 0.00 34.13 31.06 1ufg s GLU 137 CO -0.00 0.50 0.03 1.33 -0.54 0.00 0.00 175.26 176.57 1ufg n VAL 138 N 1.39 0.57 -3.76 3.70 0.24 0.58 -4.93 118.33 116.13 1ufg n VAL 138 Ca -0.02 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 1ufg n VAL 138 Cb 0.48 -0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 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 -2.20 -0.55 0.04 2.33 0.00 -1.23 0.18 121.76 120.34 1ufg s ALA 139 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1ufg s ALA 139 Cb 0.02 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1ufg s ALA 139 CO 0.34 -0.59 0.23 0.00 0.00 0.00 0.00 175.76 175.74 1ufg s MET 140 N -3.84 0.74 -0.22 0.00 0.00 0.07 -0.11 119.30 115.94 1ufg s MET 140 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 55.69 55.10 1ufg s MET 140 Cb 0.03 0.31 0.09 0.00 0.00 0.00 0.00 34.83 35.26 1ufg s MET 140 CO -0.11 -0.22 0.18 0.50 0.00 0.00 0.00 175.02 175.37 1ufg s ARG 141 N -2.62 0.17 -0.15 3.16 3.52 0.74 0.37 118.95 124.14 1ufg s ARG 141 Ca -0.05 -0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.40 1ufg s ARG 141 Cb -0.01 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.04 1ufg s ARG 141 CO -0.04 -0.78 0.19 0.21 -0.81 0.00 0.00 175.30 174.07 1ufg s LYS 142 N 2.24 3.98 -0.26 5.12 2.20 -0.29 -1.61 119.74 131.11 1ufg s LYS 142 Ca 0.06 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1ufg s LYS 142 Cb -0.16 -3.34 0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1ufg s LYS 142 CO -0.19 0.45 0.01 -0.51 -0.36 0.00 0.00 175.35 174.76 1ufg s LEU 143 N -0.11 2.60 -0.08 5.43 2.01 -0.49 -0.07 118.68 127.97 1ufg s LEU 143 Ca 0.13 -1.39 0.02 0.00 0.01 0.00 0.00 54.13 52.90 1ufg s LEU 143 Cb -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 46.19 44.98 1ufg s LEU 143 CO 0.02 -0.31 -0.13 -0.69 1.01 0.00 0.00 176.35 176.25 1ufg s VAL 144 N 1.45 3.16 0.27 -1.59 1.01 -1.26 0.44 120.40 123.87 1ufg s VAL 144 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1ufg s VAL 144 Cb -0.18 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 1ufg s VAL 144 CO -0.12 0.57 0.66 -0.60 0.00 0.00 0.00 175.10 175.61 1ufg s ARG 145 N -0.41 3.96 -0.29 2.72 3.52 0.44 0.24 118.95 129.12 1ufg s ARG 145 Ca 0.05 0.55 0.03 0.00 -0.13 0.00 0.00 55.73 56.23 1ufg s ARG 145 Cb -0.12 -2.59 0.20 0.00 -1.56 0.00 0.00 34.95 30.88 1ufg s ARG 145 CO 0.02 0.26 0.63 0.45 -0.81 0.00 0.00 175.30 175.84 1ufg s SER 146 N -2.19 -1.50 0.02 -2.12 0.15 -1.26 -4.81 113.70 101.99 1ufg s SER 146 Ca 0.50 0.31 -0.29 0.00 0.70 0.00 0.00 55.95 57.17 1ufg s SER 146 Cb -0.12 2.01 0.11 0.00 -1.71 0.00 0.00 66.02 66.31 1ufg s SER 146 CO 0.19 -0.28 1.22 -0.83 1.20 0.00 0.00 173.24 174.75 1ufg s GLY 147 N 2.85 -0.30 1.00 9.45 0.00 -1.26 -4.75 107.32 114.30 1ufg s GLY 147 Ca 0.13 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 1ufg s GLY 147 CO -0.25 1.15 1.18 2.56 0.00 0.00 0.00 173.10 177.74 1ufg s PRO 148 N -2.46 0.42 -0.17 2.90 0.04 -1.26 -5.09 135.00 129.38 1ufg s PRO 148 Ca 0.17 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.10 1ufg s PRO 148 Cb 0.03 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.84 1ufg s PRO 148 CO -0.02 -2.63 0.44 0.45 0.04 0.00 0.00 177.00 175.28 1ufg s SER 149 N -4.22 -0.50 -0.30 6.66 0.15 -1.26 -5.14 113.70 109.09 1ufg s SER 149 Ca 0.68 0.92 -0.11 0.00 0.70 0.00 0.00 55.95 58.14 1ufg s SER 149 Cb -0.11 0.87 0.17 0.00 -1.71 0.00 0.00 66.02 65.24 1ufg s SER 149 CO 0.54 -0.17 0.86 -0.55 1.20 0.00 0.00 173.24 175.12 1ufg s SER 150 N 0.76 -0.82 0.00 5.45 0.15 -1.26 -5.23 113.70 112.75 1ufg s SER 150 Ca -0.04 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1ufg s SER 150 Cb -0.05 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1ufg s SER 150 CO -0.06 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.84