#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgs n SER 2 N 0.00 -2.92 -4.64 0.00 7.64 -1.26 -4.90 113.62 107.54 1mgs n SER 2 Ca 0.00 0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 1mgs n SER 2 Cb 0.00 -2.71 -0.10 0.00 -1.01 0.00 0.00 64.21 60.39 1mgs n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mgs s VAL 3 N -2.09 4.47 -0.28 0.44 1.01 -1.26 -5.08 120.40 117.62 1mgs s VAL 3 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1mgs s VAL 3 Cb 0.00 -2.95 0.18 0.00 0.00 0.00 0.00 36.38 33.61 1mgs s VAL 3 CO 0.00 0.54 1.32 0.00 0.00 0.00 0.00 175.10 176.96 1mgs s ALA 4 N -0.23 -2.13 -0.28 5.51 0.00 -1.26 -5.16 121.76 118.22 1mgs s ALA 4 Ca 0.06 1.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.72 1mgs s ALA 4 Cb -0.12 -1.55 0.14 0.00 0.00 0.00 0.00 23.12 21.59 1mgs s ALA 4 CO 0.02 -0.18 0.58 0.99 0.00 0.00 0.00 175.76 177.17 1mgs s THR 5 N -0.38 -0.91 -0.70 0.00 2.01 -1.26 -5.10 115.64 109.29 1mgs s THR 5 Ca 0.06 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1mgs s THR 5 Cb -0.03 -0.93 0.18 0.00 0.01 0.00 0.00 72.50 71.73 1mgs s THR 5 CO -0.10 0.00 0.58 -1.61 -0.69 0.00 0.00 174.62 172.80 1mgs s GLU 6 N 2.81 3.05 -0.36 4.92 2.02 -1.26 -5.00 118.70 124.88 1mgs s GLU 6 Ca 0.04 -2.40 0.02 0.00 0.02 0.00 0.00 54.97 52.65 1mgs s GLU 6 Cb -0.13 -4.09 0.10 0.00 0.10 0.00 0.00 34.13 30.11 1mgs s GLU 6 CO -0.18 -1.24 0.09 -0.51 0.02 0.00 0.00 175.26 173.44 1mgs s LEU 7 N 0.24 4.87 0.32 1.80 1.43 -1.26 -5.10 118.68 120.98 1mgs s LEU 7 Ca 0.16 -2.15 -0.05 0.00 -1.03 0.00 0.00 54.13 51.06 1mgs s LEU 7 Cb -0.17 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1mgs s LEU 7 CO -0.05 -0.41 0.59 -0.13 0.23 0.00 0.00 176.35 176.57 1mgs s ARG 8 N 0.93 3.63 -0.15 1.70 0.52 -1.26 -4.59 118.95 119.72 1mgs s ARG 8 Ca 0.11 0.04 -0.41 0.00 -0.52 0.00 0.00 55.73 54.95 1mgs s ARG 8 Cb -0.20 -2.61 -0.18 0.00 0.52 0.00 0.00 34.95 32.48 1mgs s ARG 8 CO -0.07 0.16 1.42 0.00 0.02 0.00 0.00 175.30 176.83 1mgs h GLN 10 N 4.89 0.05 -0.01 0.00 1.08 -1.93 -3.29 115.11 115.89 1mgs h GLN 10 Ca -0.47 -0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.56 1mgs h GLN 10 Cb 1.36 -0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.65 1mgs h GLN 10 CO 0.83 0.03 -0.34 0.00 -0.95 0.00 0.00 178.83 178.41 1mgs h LEU 12 N 3.73 0.22 -7.69 0.00 7.12 -1.95 -2.75 115.31 113.99 1mgs h LEU 12 Ca -0.18 0.09 -0.76 0.00 0.13 0.00 0.00 57.88 57.17 1mgs h LEU 12 Cb 1.09 0.07 -0.21 0.00 -0.53 0.00 0.00 40.66 41.08 1mgs h LEU 12 CO 0.15 -0.08 0.95 -1.58 -0.13 0.00 0.00 178.44 177.75 1mgs s GLN 13 N -5.24 4.07 0.45 1.25 0.74 -1.26 -5.01 119.66 114.66 1mgs s GLN 13 Ca -0.07 -2.73 -0.06 0.00 0.05 0.00 0.00 55.36 52.55 1mgs s GLN 13 Cb 0.27 -4.85 -0.04 0.00 1.10 0.00 0.00 33.01 29.49 1mgs s GLN 13 CO 0.82 -1.57 0.75 0.95 -0.55 0.00 0.00 175.29 175.70 1mgs s THR 14 N 0.64 4.90 -0.04 -0.34 -4.23 -1.04 -4.86 115.64 110.68 1mgs s THR 14 Ca 0.37 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1mgs s THR 14 Cb -0.06 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1mgs s THR 14 CO -0.04 -0.74 0.16 -0.76 -0.54 0.00 0.00 174.62 172.71 1mgs s LEU 15 N -4.47 4.35 0.60 4.79 1.43 -0.42 -4.74 118.68 120.21 1mgs s LEU 15 Ca 0.47 0.37 0.30 0.00 -1.03 0.00 0.00 54.13 54.24 1mgs s LEU 15 Cb -0.10 -2.43 1.23 0.00 0.03 0.00 0.00 46.19 44.91 1mgs s LEU 15 CO 0.41 0.31 1.58 -0.61 0.23 0.00 0.00 176.35 178.27 1mgs h GLN 16 N 4.18 0.00 0.00 1.70 4.15 -1.92 -2.11 115.11 121.11 1mgs h GLN 16 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1mgs h GLN 16 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1mgs h GLN 16 CO 0.65 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 1mgs n GLY 17 N -1.65 1.98 3.13 2.39 0.00 -1.26 -3.96 105.19 105.83 1mgs n GLY 17 Ca 0.19 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1mgs n GLY 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mgs s ILE 18 N -1.95 0.10 0.46 -0.61 1.10 -1.26 -5.02 121.20 114.01 1mgs s ILE 18 Ca 0.00 -0.80 -0.21 0.00 -0.51 0.00 0.00 60.65 59.13 1mgs s ILE 18 Cb 0.00 -0.64 -0.12 0.00 0.15 0.00 0.00 42.46 41.85 1mgs s ILE 18 CO 0.00 -0.44 0.45 1.57 -2.11 0.00 0.00 174.94 174.42 1mgs n HIS 19 N 1.14 -0.84 0.62 3.50 -0.00 -1.26 -4.82 115.22 113.55 1mgs n HIS 19 Ca -0.21 0.56 0.13 0.00 0.46 0.00 0.00 57.72 58.65 1mgs n HIS 19 Cb 0.57 -1.94 0.45 0.00 -0.12 0.00 0.00 29.99 28.95 1mgs n HIS 19 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1mgs n PRO 20 N 0.59 0.20 0.13 1.57 -0.04 -1.26 -2.65 135.00 133.55 1mgs n PRO 20 Ca 0.11 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1mgs n PRO 20 Cb 0.42 -1.76 0.31 0.00 -0.04 0.00 0.00 33.50 32.43 1mgs n PRO 20 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1mgs h LYS 21 N 0.00 0.00 -2.13 0.54 5.09 -2.02 -3.30 116.57 114.75 1mgs h LYS 21 Ca 0.00 0.00 -0.78 0.00 0.09 0.00 0.00 60.65 59.96 1mgs h LYS 21 Cb 0.59 0.00 -0.28 0.00 0.10 0.00 0.00 32.23 32.64 1mgs h LYS 21 CO 0.00 0.00 0.94 0.09 -2.09 0.00 0.00 179.45 178.39 1mgs n ASN 22 N -2.49 7.25 -4.13 7.07 3.02 -1.08 -4.73 115.26 120.17 1mgs n ASN 22 Ca 0.05 -3.75 -0.13 0.00 -0.03 0.00 0.00 54.58 50.72 1mgs n ASN 22 Cb 0.46 -1.08 -0.10 0.00 -0.61 0.00 0.00 39.78 38.45 1mgs n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mgs s ILE 23 N -4.68 0.02 0.00 2.41 -1.09 -1.25 -4.13 121.20 112.48 1mgs s ILE 23 Ca 0.45 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.87 1mgs s ILE 23 Cb 0.30 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 1mgs s ILE 23 CO -0.25 0.00 0.00 1.67 -1.23 0.00 0.00 174.94 175.13 1mgs n GLN 24 N -0.31 0.00 -4.00 2.79 0.00 0.58 -2.51 117.38 113.93 1mgs n GLN 24 Ca 0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.82 1mgs n GLN 24 Cb 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.84 1mgs n GLN 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1mgs n SER 25 N -1.57 1.08 -3.26 1.69 3.41 -0.98 -4.88 113.62 109.12 1mgs n SER 25 Ca 0.00 -2.82 -0.01 0.00 -0.26 0.00 0.00 58.87 55.79 1mgs n SER 25 Cb 0.00 0.89 -0.04 0.00 -0.26 0.00 0.00 64.21 64.81 1mgs n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mgs s VAL 26 N -2.85 -0.87 -0.21 -3.33 1.01 -1.26 -2.31 120.40 110.58 1mgs s VAL 26 Ca 0.18 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1mgs s VAL 26 Cb 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1mgs s VAL 26 CO 0.13 -0.03 0.38 0.21 0.00 0.00 0.00 175.10 175.79 1mgs s ASN 27 N 2.76 6.39 -0.53 3.32 3.84 -0.29 -4.89 114.94 125.55 1mgs s ASN 27 Ca 0.16 0.46 0.04 0.00 0.21 0.00 0.00 52.86 53.73 1mgs s ASN 27 Cb -0.15 -2.22 0.13 0.00 -0.55 0.00 0.00 41.25 38.46 1mgs s ASN 27 CO -0.19 -0.08 0.27 -0.69 -2.79 0.00 0.00 177.10 173.62 1mgs s VAL 28 N 1.39 2.61 -0.47 -5.21 1.01 -1.26 -0.90 120.40 117.57 1mgs s VAL 28 Ca 0.18 -3.35 -0.14 0.00 0.00 0.00 0.00 61.98 58.66 1mgs s VAL 28 Cb -0.15 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1mgs s VAL 28 CO 0.08 -0.81 0.39 -0.75 0.00 0.00 0.00 175.10 174.01 1mgs s LYS 29 N -0.33 2.91 1.12 2.72 2.20 -0.90 -5.00 119.74 122.45 1mgs s LYS 29 Ca 0.17 -1.43 -0.16 0.00 -0.36 0.00 0.00 55.97 54.18 1mgs s LYS 29 Cb -0.25 -4.10 0.15 0.00 -1.51 0.00 0.00 37.83 32.12 1mgs s LYS 29 CO -0.01 -1.07 0.33 -1.13 -0.36 0.00 0.00 175.35 173.11 1mgs n SER 30 N 5.16 -2.13 -4.72 1.43 3.41 -1.26 -2.62 113.62 112.88 1mgs n SER 30 Ca -0.12 -0.08 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 1mgs n SER 30 Cb 0.43 -1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.27 1mgs n SER 30 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mgs s PRO 31 N -3.73 4.60 0.00 4.33 0.04 -1.26 -4.72 135.00 134.26 1mgs s PRO 31 Ca 0.60 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1mgs s PRO 31 Cb -0.16 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1mgs s PRO 31 CO 0.66 0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.16 1mgs n GLY 32 N 2.50 5.40 0.01 0.56 0.00 -0.66 -4.89 105.19 108.11 1mgs n GLY 32 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1mgs n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mgs n PRO 33 N 0.00 0.88 0.00 1.61 -0.04 -1.26 -3.05 135.00 133.14 1mgs n PRO 33 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mgs n PRO 33 Cb 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1mgs n PRO 33 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1mgs n HIS 34 N -0.49 0.00 -3.64 0.54 1.44 -1.26 -5.03 115.22 106.78 1mgs n HIS 34 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1mgs n HIS 34 Cb 0.01 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1mgs n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mgs n ALA 36 N 5.28 5.40 -3.64 0.00 0.00 -1.26 -1.66 120.51 124.63 1mgs n ALA 36 Ca -0.13 -1.61 -0.06 0.00 0.00 0.00 0.00 53.44 51.63 1mgs n ALA 36 Cb 0.50 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1mgs n ALA 36 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1mgs s GLN 37 N -0.83 0.32 0.41 0.00 -2.07 -1.26 -5.04 119.66 111.20 1mgs s GLN 37 Ca 0.37 0.38 -0.26 0.00 -1.82 0.00 0.00 55.36 54.04 1mgs s GLN 37 Cb 0.23 0.15 -0.10 0.00 -1.09 0.00 0.00 33.01 32.21 1mgs s GLN 37 CO -0.05 -0.04 1.26 2.41 -1.32 0.00 0.00 175.29 177.55 1mgs n THR 38 N 1.99 2.48 -4.13 3.63 -1.04 -1.26 -4.13 114.28 111.82 1mgs n THR 38 Ca -0.12 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.12 1mgs n THR 38 Cb 0.56 -1.55 -0.17 0.00 -1.82 0.00 0.00 70.33 67.35 1mgs n THR 38 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1mgs s GLU 39 N -2.16 1.83 0.13 -2.82 8.01 -1.08 -4.71 118.70 117.91 1mgs s GLU 39 Ca 0.60 -0.40 0.08 0.00 0.01 0.00 0.00 54.97 55.27 1mgs s GLU 39 Cb -0.52 -1.72 -0.04 0.00 -4.31 0.00 0.00 34.13 27.55 1mgs s GLU 39 CO 0.58 -0.18 -0.12 0.08 0.01 0.00 0.00 175.26 175.63 1mgs s VAL 40 N 1.37 3.14 0.04 2.63 1.01 -1.23 -2.12 120.40 125.23 1mgs s VAL 40 Ca -0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1mgs s VAL 40 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1mgs s VAL 40 CO -0.06 0.03 0.03 -0.63 0.00 0.00 0.00 175.10 174.48 1mgs s ILE 41 N -1.35 0.15 -0.06 2.22 1.09 -0.08 -2.21 121.20 120.96 1mgs s ILE 41 Ca 0.21 -1.25 0.00 0.00 -1.10 0.00 0.00 60.65 58.52 1mgs s ILE 41 Cb -0.10 -0.92 0.02 0.00 -1.06 0.00 0.00 42.46 40.40 1mgs s ILE 41 CO 0.13 -0.69 -0.04 0.00 -0.10 0.00 0.00 174.94 174.24 1mgs s ALA 42 N -2.72 0.74 -0.53 9.38 0.00 -0.91 -1.14 121.76 126.58 1mgs s ALA 42 Ca -0.04 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 1mgs s ALA 42 Cb -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1mgs s ALA 42 CO -0.05 -0.15 0.80 0.99 0.00 0.00 0.00 175.76 177.35 1mgs s THR 43 N 1.22 4.61 1.00 0.00 2.01 -0.98 -0.73 115.64 122.78 1mgs s THR 43 Ca -0.06 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.69 1mgs s THR 43 Cb -0.14 -4.42 -0.14 0.00 0.01 0.00 0.00 72.50 67.81 1mgs s THR 43 CO -0.02 -0.96 -0.96 0.18 -0.69 0.00 0.00 174.62 172.18 1mgs n LEU 44 N 6.87 -4.21 -0.91 4.42 4.77 0.33 0.22 117.00 128.49 1mgs n LEU 44 Ca -0.02 0.10 0.03 0.00 -0.03 0.00 0.00 56.01 56.09 1mgs n LEU 44 Cb 0.47 -0.71 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1mgs n LEU 44 CO 0.59 -4.32 0.51 2.29 -1.33 0.00 0.00 177.39 175.13 1mgs n LYS 45 N 1.88 2.29 0.00 3.23 2.85 -1.04 -3.41 118.16 123.96 1mgs n LYS 45 Ca -0.01 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.10 1mgs n LYS 45 Cb 0.64 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1mgs n LYS 45 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1mgs n ASN 46 N 0.25 0.63 0.00 -5.58 6.94 -1.26 -4.99 115.26 111.26 1mgs n ASN 46 Ca 0.10 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 1mgs n ASN 46 Cb 0.53 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 1mgs n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mgs n GLY 47 N 0.35 1.52 3.89 4.83 0.00 -1.22 -5.10 105.19 109.46 1mgs n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1mgs n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mgs s ARG 48 N -0.06 1.37 -0.12 1.61 0.52 -1.26 -4.81 118.95 116.20 1mgs s ARG 48 Ca 0.00 -0.06 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 1mgs s ARG 48 Cb 0.00 -1.90 0.06 0.00 0.52 0.00 0.00 34.95 33.63 1mgs s ARG 48 CO 0.00 -1.98 0.27 0.15 0.02 0.00 0.00 175.30 173.77 1mgs s LYS 49 N -5.66 0.20 -0.19 3.54 3.01 -1.26 0.12 119.74 119.50 1mgs s LYS 49 Ca 0.66 0.66 -0.04 0.00 -1.01 0.00 0.00 55.97 56.24 1mgs s LYS 49 Cb -0.09 -0.06 -0.02 0.00 -1.01 0.00 0.00 37.83 36.65 1mgs s LYS 49 CO 0.51 -0.22 -0.02 0.00 0.51 0.00 0.00 175.35 176.13 1mgs s ALA 50 N 1.80 2.95 0.26 5.17 0.00 0.09 -4.88 121.76 127.15 1mgs s ALA 50 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1mgs s ALA 50 Cb -0.11 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 1mgs s ALA 50 CO -0.09 -0.13 0.95 0.00 0.00 0.00 0.00 175.76 176.49 1mgs s LEU 52 N -1.40 2.27 -0.15 0.00 1.43 -0.94 -1.30 118.68 118.59 1mgs s LEU 52 Ca 0.43 -1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.17 1mgs s LEU 52 Cb -0.25 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1mgs s LEU 52 CO 0.31 -0.53 0.02 0.21 0.23 0.00 0.00 176.35 176.58 1mgs s ASN 53 N -3.46 5.29 0.34 2.29 3.04 -0.79 -3.54 114.94 118.11 1mgs s ASN 53 Ca 0.34 0.05 0.18 0.00 0.04 0.00 0.00 52.86 53.46 1mgs s ASN 53 Cb 0.07 -1.78 0.44 0.00 -1.54 0.00 0.00 41.25 38.44 1mgs s ASN 53 CO 0.14 0.24 1.62 1.55 -3.04 0.00 0.00 177.10 177.60 1mgs h PRO 54 N 6.23 0.00 0.00 0.43 0.13 -1.91 -2.98 132.00 133.90 1mgs h PRO 54 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1mgs h PRO 54 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mgs h PRO 54 CO 0.63 0.41 0.01 0.00 -0.23 0.00 0.00 178.00 178.82 1mgs h ALA 55 N 1.59 1.00 -2.31 -0.56 0.00 -1.93 -3.40 119.26 113.65 1mgs h ALA 55 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1mgs h ALA 55 Cb 1.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1mgs h ALA 55 CO 0.05 -0.00 0.04 -1.54 0.00 0.00 0.00 179.25 177.80 1mgs s SER 56 N -4.31 6.35 0.07 0.00 1.04 -1.12 -5.01 113.70 110.71 1mgs s SER 56 Ca -0.03 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.16 1mgs s SER 56 Cb 0.08 -2.22 -0.26 0.00 0.10 0.00 0.00 66.02 63.72 1mgs s SER 56 CO 0.25 -0.45 1.13 1.55 0.98 0.00 0.00 173.24 176.70 1mgs h PRO 57 N 0.71 0.55 -0.21 4.02 0.13 -1.87 -3.01 132.00 132.32 1mgs h PRO 57 Ca -0.47 -0.74 -0.03 0.00 -0.87 0.00 0.00 66.00 63.88 1mgs h PRO 57 Cb 1.20 0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1mgs h PRO 57 CO 0.63 1.33 0.01 0.97 -0.23 0.00 0.00 178.00 180.70 1mgs h ILE 58 N 0.25 1.25 -0.29 -3.56 2.10 -1.92 -2.25 117.51 113.08 1mgs h ILE 58 Ca -0.17 -0.86 0.04 0.00 1.08 0.00 0.00 64.86 64.95 1mgs h ILE 58 Cb 1.89 1.40 -0.04 0.00 -1.09 0.00 0.00 36.82 38.98 1mgs h ILE 58 CO 0.23 0.26 0.07 0.58 -1.08 0.00 0.00 178.15 178.20 1mgs h VAL 59 N 0.14 0.87 -0.53 2.19 2.07 -1.69 0.18 116.25 119.48 1mgs h VAL 59 Ca 0.06 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1mgs h VAL 59 Cb 0.38 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1mgs h VAL 59 CO 0.01 0.03 0.37 0.11 0.02 0.00 0.00 177.57 178.11 1mgs h LYS 60 N 0.18 0.15 -0.01 1.57 1.79 -1.40 0.32 116.57 119.16 1mgs h LYS 60 Ca 0.13 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 1mgs h LYS 60 Cb 0.13 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1mgs h LYS 60 CO -0.17 0.10 -0.77 0.87 -1.08 0.00 0.00 179.45 178.40 1mgs h LYS 61 N 0.15 0.09 -0.40 3.15 1.79 -0.12 -2.65 116.57 118.59 1mgs h LYS 61 Ca 0.25 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1mgs h LYS 61 Cb 0.80 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1mgs h LYS 61 CO -0.04 0.81 -0.06 0.82 -1.08 0.00 0.00 179.45 179.91 1mgs h ILE 62 N 0.06 1.27 0.24 1.86 5.03 0.16 -0.96 117.51 125.17 1mgs h ILE 62 Ca -0.02 -1.12 -0.01 0.00 -0.12 0.00 0.00 64.86 63.59 1mgs h ILE 62 Cb 1.35 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 1mgs h ILE 62 CO 0.11 0.38 -0.12 0.40 -0.68 0.00 0.00 178.15 178.24 1mgs h ILE 63 N 0.56 0.00 -1.03 -0.67 5.03 -1.30 -1.81 117.51 118.29 1mgs h ILE 63 Ca 0.11 -0.10 0.30 0.00 -0.12 0.00 0.00 64.86 65.05 1mgs h ILE 63 Cb 0.57 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.22 1mgs h ILE 63 CO 0.03 0.00 0.61 1.05 -0.68 0.00 0.00 178.15 179.16 1mgs h GLU 64 N -0.42 0.39 0.04 2.37 -0.00 -1.56 0.25 114.58 115.64 1mgs h GLU 64 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1mgs h GLU 64 Cb 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 1mgs h GLU 64 CO 0.05 0.26 -0.05 0.87 -0.00 0.00 0.00 179.01 180.14 1mgs h LYS 65 N 0.40 -0.11 -0.54 1.06 1.57 -1.08 -2.40 116.57 115.47 1mgs h LYS 65 Ca 0.70 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.59 1mgs h LYS 65 Cb 1.58 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.83 1mgs h LYS 65 CO -0.52 -0.08 0.03 1.98 -0.57 0.00 0.00 179.45 180.30 1mgs h MET 66 N -0.12 0.14 -0.58 3.15 4.05 0.38 -0.75 114.93 121.21 1mgs h MET 66 Ca 0.01 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 1mgs h MET 66 Cb 0.12 -0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 30.78 1mgs h MET 66 CO -0.03 0.10 -0.23 -0.07 0.23 0.00 0.00 176.91 176.91 1mgs h LEU 67 N 0.15 -0.82 -1.16 3.39 3.38 -0.92 0.37 115.31 119.70 1mgs h LEU 67 Ca 0.28 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.49 1mgs h LEU 67 Cb 0.42 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1mgs h LEU 67 CO -0.43 -0.25 0.58 -1.13 0.09 0.00 0.00 178.44 177.29 1mgs h ASN 68 N -0.09 0.93 -1.40 -0.43 -1.24 -0.90 -1.22 115.58 111.22 1mgs h ASN 68 Ca 0.27 -0.01 0.42 0.00 0.71 0.00 0.00 56.30 57.69 1mgs h ASN 68 Cb 0.50 -0.21 -0.09 0.00 0.73 0.00 0.00 38.32 39.25 1mgs h ASN 68 CO -0.64 0.63 0.96 0.77 -1.29 0.00 0.00 177.43 177.86 1mgs h SER 69 N 1.07 0.15 -1.69 1.15 4.64 0.51 0.15 113.55 119.54 1mgs h SER 69 Ca 0.36 0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 61.21 1mgs h SER 69 Cb 0.07 0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 61.79 1mgs h SER 69 CO -0.11 -0.05 -0.86 -0.90 -0.87 0.00 0.00 176.83 174.04 1mgs n ASP 70 N -4.37 3.53 -4.56 4.97 5.68 -0.47 -5.04 116.55 116.30 1mgs n ASP 70 Ca 0.34 -3.43 -0.39 0.00 -0.50 0.00 0.00 54.79 50.82 1mgs n ASP 70 Cb 1.44 -0.52 -0.11 0.00 -1.14 0.00 0.00 41.12 40.79 1mgs n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1mgs s LYS 71 N -3.30 3.72 -0.11 0.11 2.20 0.04 -5.02 119.74 117.37 1mgs s LYS 71 Ca 0.43 -0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1mgs s LYS 71 Cb 0.37 -3.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1mgs s LYS 71 CO -0.12 -0.30 -0.05 -1.12 -0.36 0.00 0.00 175.35 173.40 1mgs s SER 72 N 1.74 2.14 0.00 1.43 0.01 -1.26 -5.07 113.70 112.68 1mgs s SER 72 Ca 0.06 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1mgs s SER 72 Cb -0.17 -0.73 0.21 0.00 0.21 0.00 0.00 66.02 65.55 1mgs s SER 72 CO 0.10 -0.16 0.69 -0.46 0.41 0.00 0.00 173.24 173.83