#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgs s SER 2 N 0.00 -0.77 -0.02 0.00 1.04 -1.26 -5.15 113.70 107.53 1mgs s SER 2 Ca 0.00 1.27 -0.00 0.00 0.48 0.00 0.00 55.95 57.70 1mgs s SER 2 Cb 0.00 1.17 0.03 0.00 0.10 0.00 0.00 66.02 67.32 1mgs s SER 2 CO 0.00 -0.22 0.03 0.68 0.98 0.00 0.00 173.24 174.71 1mgs s VAL 3 N 1.59 -0.06 0.16 5.02 -7.23 -1.26 -5.15 120.40 113.47 1mgs s VAL 3 Ca -0.10 0.21 0.06 0.00 -1.81 0.00 0.00 61.98 60.35 1mgs s VAL 3 Cb -0.07 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.75 1mgs s VAL 3 CO -0.17 0.09 -0.14 0.00 -0.31 0.00 0.00 175.10 174.57 1mgs s ALA 4 N 1.04 1.71 -1.71 1.32 0.00 -1.26 -5.03 121.76 117.83 1mgs s ALA 4 Ca -0.09 -1.47 0.19 0.00 0.00 0.00 0.00 51.96 50.59 1mgs s ALA 4 Cb -0.12 -0.07 0.54 0.00 0.00 0.00 0.00 23.12 23.47 1mgs s ALA 4 CO -0.03 0.06 1.45 2.41 0.00 0.00 0.00 175.76 179.66 1mgs n THR 5 N 0.06 0.97 -3.70 0.00 -1.04 -1.26 -4.81 114.28 104.50 1mgs n THR 5 Ca -0.12 -0.98 -0.28 0.00 -2.04 0.00 0.00 64.05 60.63 1mgs n THR 5 Cb 0.59 0.53 -0.16 0.00 -1.82 0.00 0.00 70.33 69.47 1mgs n THR 5 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1mgs s GLU 6 N -1.02 0.57 -0.41 -2.82 8.01 -1.26 -5.08 118.70 116.69 1mgs s GLU 6 Ca 0.41 -0.59 0.01 0.00 0.01 0.00 0.00 54.97 54.81 1mgs s GLU 6 Cb 0.22 -1.93 0.11 0.00 -4.31 0.00 0.00 34.13 28.22 1mgs s GLU 6 CO 0.28 -0.79 0.17 -0.51 0.01 0.00 0.00 175.26 174.43 1mgs s LEU 7 N 1.85 4.97 0.27 1.80 1.43 -1.26 -5.09 118.68 122.65 1mgs s LEU 7 Ca 0.03 -2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 50.80 1mgs s LEU 7 Cb -0.17 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1mgs s LEU 7 CO -0.17 -0.43 0.59 -0.13 0.23 0.00 0.00 176.35 176.44 1mgs s ARG 8 N 0.81 3.78 -0.52 1.70 0.52 -1.26 -4.69 118.95 119.29 1mgs s ARG 8 Ca 0.11 0.27 -0.39 0.00 -0.52 0.00 0.00 55.73 55.19 1mgs s ARG 8 Cb -0.21 -2.60 -0.17 0.00 0.52 0.00 0.00 34.95 32.49 1mgs s ARG 8 CO -0.05 0.25 2.24 0.00 0.02 0.00 0.00 175.30 177.75 1mgs h GLN 10 N 10.77 0.00 -2.19 0.00 1.08 -1.91 -0.61 115.11 122.25 1mgs h GLN 10 Ca -0.15 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.48 1mgs h GLN 10 Cb 1.37 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.39 1mgs h GLN 10 CO 1.11 0.00 -0.78 0.00 -0.95 0.00 0.00 178.83 178.21 1mgs h LEU 12 N 3.35 0.44 -8.16 0.00 7.12 -1.46 -3.36 115.31 113.24 1mgs h LEU 12 Ca 0.13 0.15 -0.58 0.00 0.13 0.00 0.00 57.88 57.72 1mgs h LEU 12 Cb 0.66 0.11 -0.33 0.00 -0.53 0.00 0.00 40.66 40.57 1mgs h LEU 12 CO 0.73 -0.09 -0.84 -1.58 -0.13 0.00 0.00 178.44 176.53 1mgs s GLN 13 N -5.54 2.13 0.31 1.25 0.74 -1.26 -5.09 119.66 112.19 1mgs s GLN 13 Ca -0.09 -0.61 0.08 0.00 0.05 0.00 0.00 55.36 54.79 1mgs s GLN 13 Cb 0.29 -1.72 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 1mgs s GLN 13 CO 0.80 0.14 0.19 0.95 -0.55 0.00 0.00 175.29 176.82 1mgs s THR 14 N 0.38 3.61 0.07 -0.34 -4.23 -1.26 -4.57 115.64 109.30 1mgs s THR 14 Ca -0.13 -1.53 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 1mgs s THR 14 Cb -0.15 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1mgs s THR 14 CO 0.05 -0.25 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.87 1mgs s LEU 15 N -3.88 2.21 0.34 4.79 1.43 0.43 -4.83 118.68 119.17 1mgs s LEU 15 Ca 0.37 -0.63 0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1mgs s LEU 15 Cb -0.05 -1.22 1.06 0.00 0.03 0.00 0.00 46.19 46.01 1mgs s LEU 15 CO 0.24 0.22 1.65 -0.61 0.23 0.00 0.00 176.35 178.08 1mgs h GLN 16 N 4.55 0.26 0.00 1.70 4.15 -1.94 -1.90 115.11 121.94 1mgs h GLN 16 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1mgs h GLN 16 Cb 1.15 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1mgs h GLN 16 CO 0.42 0.17 0.00 0.41 -1.93 0.00 0.00 178.83 177.91 1mgs n GLY 17 N -1.30 -0.12 3.59 2.39 0.00 -1.26 -3.15 105.19 105.33 1mgs n GLY 17 Ca 0.31 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 1mgs n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mgs s ILE 18 N -2.60 0.00 0.65 -0.61 -5.25 -1.26 -5.02 121.20 107.12 1mgs s ILE 18 Ca 0.00 -0.21 -0.18 0.00 -0.99 0.00 0.00 60.65 59.28 1mgs s ILE 18 Cb 0.00 -1.36 -0.02 0.00 2.95 0.00 0.00 42.46 44.04 1mgs s ILE 18 CO 0.00 0.00 1.14 1.57 -1.79 0.00 0.00 174.94 175.86 1mgs n HIS 19 N -0.31 1.36 1.50 1.37 -0.00 -1.26 -4.76 115.22 113.12 1mgs n HIS 19 Ca -0.07 0.42 0.13 0.00 -0.00 0.00 0.00 57.72 58.20 1mgs n HIS 19 Cb 0.61 -2.19 0.75 0.00 -0.00 0.00 0.00 29.99 29.16 1mgs n HIS 19 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1mgs n PRO 20 N -1.68 0.63 0.04 1.57 -0.04 -1.26 -2.90 135.00 131.36 1mgs n PRO 20 Ca 0.15 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1mgs n PRO 20 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1mgs n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mgs n LYS 21 N -1.14 0.62 0.00 0.54 5.02 -1.26 -3.68 118.16 118.26 1mgs n LYS 21 Ca 0.17 0.20 0.14 0.00 -2.02 0.00 0.00 58.31 56.81 1mgs n LYS 21 Cb 0.15 -1.81 0.64 0.00 -0.02 0.00 0.00 35.03 33.99 1mgs n LYS 21 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mgs n ASN 22 N -2.85 0.31 -4.71 4.39 3.02 -1.14 -4.81 115.26 109.47 1mgs n ASN 22 Ca -0.08 -0.38 -0.32 0.00 -0.03 0.00 0.00 54.58 53.76 1mgs n ASN 22 Cb 0.79 -0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.74 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 -2.55 4.29 -0.01 2.41 1.01 -1.24 -2.47 121.20 122.63 1mgs s ILE 23 Ca 0.27 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1mgs s ILE 23 Cb 0.20 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1mgs s ILE 23 CO 0.48 0.34 0.03 0.00 0.00 0.00 0.00 174.94 175.79 1mgs n GLN 24 N 1.23 2.28 -4.15 2.79 -0.00 -0.34 -4.63 117.38 114.56 1mgs n GLN 24 Ca -0.14 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.00 56.73 1mgs n GLN 24 Cb 0.53 -1.06 -0.08 0.00 -0.00 0.00 0.00 30.24 29.63 1mgs n GLN 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1mgs s SER 25 N -2.90 0.39 -0.27 2.61 1.04 -1.07 -4.97 113.70 108.55 1mgs s SER 25 Ca -0.01 -1.35 -0.22 0.00 0.48 0.00 0.00 55.95 54.85 1mgs s SER 25 Cb 0.01 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1mgs s SER 25 CO 0.10 -0.99 0.70 -0.69 0.98 0.00 0.00 173.24 173.33 1mgs s VAL 26 N -3.90 -0.00 0.40 5.02 1.01 -1.26 -1.29 120.40 120.38 1mgs s VAL 26 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1mgs s VAL 26 Cb 0.04 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1mgs s VAL 26 CO 0.14 0.00 0.20 0.21 0.00 0.00 0.00 175.10 175.66 1mgs s ASN 27 N 0.67 4.56 -0.36 3.32 2.47 -0.43 -4.94 114.94 120.24 1mgs s ASN 27 Ca -0.02 -0.98 0.04 0.00 0.42 0.00 0.00 52.86 52.31 1mgs s ASN 27 Cb -0.05 -0.53 0.16 0.00 -1.45 0.00 0.00 41.25 39.38 1mgs s ASN 27 CO -0.04 -0.52 0.43 -0.69 -3.72 0.00 0.00 177.10 172.56 1mgs s VAL 28 N -2.55 -0.53 -0.33 -5.21 1.01 -1.26 -2.41 120.40 109.11 1mgs s VAL 28 Ca 0.42 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1mgs s VAL 28 Cb 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1mgs s VAL 28 CO 0.23 -0.40 0.23 -0.75 0.00 0.00 0.00 175.10 174.41 1mgs s LYS 29 N 1.80 3.56 1.04 2.72 2.20 -0.98 -5.00 119.74 125.08 1mgs s LYS 29 Ca 0.15 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1mgs s LYS 29 Cb -0.12 -3.77 0.21 0.00 -1.51 0.00 0.00 37.83 32.63 1mgs s LYS 29 CO -0.11 -0.40 1.07 -1.54 -0.36 0.00 0.00 175.35 174.01 1mgs s SER 30 N 1.72 2.13 0.05 1.43 1.04 -1.26 -2.25 113.70 116.57 1mgs s SER 30 Ca 0.06 1.49 -0.30 0.00 0.48 0.00 0.00 55.95 57.68 1mgs s SER 30 Cb -0.17 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1mgs s SER 30 CO 0.10 -3.48 1.05 -2.16 0.98 0.00 0.00 173.24 169.73 1mgs s PRO 31 N -4.72 4.55 0.00 4.02 0.04 -1.26 -4.77 135.00 132.87 1mgs s PRO 31 Ca 0.66 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1mgs s PRO 31 Cb -0.22 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1mgs s PRO 31 CO 0.60 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1mgs n GLY 32 N 2.79 5.53 0.00 0.56 0.00 -0.46 -4.87 105.19 108.74 1mgs n GLY 32 Ca 0.06 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 0.85 0.00 1.61 -0.04 -1.26 -2.89 135.00 133.27 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 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.66 0.00 -3.47 0.54 1.44 -1.26 -5.01 115.22 106.81 1mgs n HIS 34 Ca 0.06 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 1mgs n HIS 34 Cb 0.03 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 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 5.44 5.65 -3.64 0.00 0.00 -1.26 -1.36 120.51 125.34 1mgs n ALA 36 Ca -0.08 -1.77 -0.05 0.00 0.00 0.00 0.00 53.44 51.54 1mgs n ALA 36 Cb 0.50 -1.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.59 0.23 0.67 0.00 -2.07 -1.26 -5.03 119.66 111.62 1mgs s GLN 37 Ca 0.44 0.28 -0.17 0.00 -1.82 0.00 0.00 55.36 54.08 1mgs s GLN 37 Cb 0.26 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.28 1mgs s GLN 37 CO -0.06 -0.03 1.10 2.41 -1.32 0.00 0.00 175.29 177.39 1mgs n THR 38 N 1.89 3.81 -3.68 3.63 -1.04 -1.26 -4.12 114.28 113.51 1mgs n THR 38 Ca -0.11 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 1mgs n THR 38 Cb 0.56 -1.26 -0.17 0.00 -1.82 0.00 0.00 70.33 67.64 1mgs n THR 38 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1mgs s GLU 39 N -3.25 0.25 0.13 -2.82 -1.05 -0.95 -4.82 118.70 106.19 1mgs s GLU 39 Ca 0.78 0.03 0.02 0.00 -0.15 0.00 0.00 54.97 55.65 1mgs s GLU 39 Cb -0.37 -1.33 -0.04 0.00 -0.44 0.00 0.00 34.13 31.96 1mgs s GLU 39 CO 0.46 -0.49 0.25 0.08 0.95 0.00 0.00 175.26 176.50 1mgs s VAL 40 N 2.06 5.22 0.05 1.83 1.01 -1.25 -2.33 120.40 126.98 1mgs s VAL 40 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1mgs s VAL 40 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1mgs s VAL 40 CO -0.06 -0.05 -0.05 -0.63 0.00 0.00 0.00 175.10 174.31 1mgs s ILE 41 N -1.70 0.33 -0.07 2.22 1.01 -1.01 -2.26 121.20 119.72 1mgs s ILE 41 Ca 0.34 -1.35 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 1mgs s ILE 41 Cb -0.11 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1mgs s ILE 41 CO 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 174.94 174.58 1mgs s ALA 42 N -2.45 0.54 -0.75 9.38 0.00 -0.68 -1.31 121.76 126.50 1mgs s ALA 42 Ca -0.04 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1mgs s ALA 42 Cb -0.03 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1mgs s ALA 42 CO -0.04 -0.56 1.00 0.99 0.00 0.00 0.00 175.76 177.16 1mgs s THR 43 N 2.04 4.51 1.02 0.00 2.01 -0.41 -1.00 115.64 123.81 1mgs s THR 43 Ca 0.04 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1mgs s THR 43 Cb -0.13 -4.70 -0.11 0.00 0.01 0.00 0.00 72.50 67.57 1mgs s THR 43 CO -0.05 -1.45 -0.99 0.18 -0.69 0.00 0.00 174.62 171.63 1mgs n LEU 44 N 7.18 -3.29 -0.04 4.42 4.77 0.23 -1.20 117.00 129.07 1mgs n LEU 44 Ca 0.06 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1mgs n LEU 44 Cb 0.46 -0.69 0.23 0.00 -2.33 0.00 0.00 43.42 41.10 1mgs n LEU 44 CO 0.59 -3.38 0.65 2.29 -1.33 0.00 0.00 177.39 176.20 1mgs n LYS 45 N 1.33 1.05 -0.56 3.23 2.85 -1.03 -3.15 118.16 121.89 1mgs n LYS 45 Ca -0.01 -0.08 0.04 0.00 -1.05 0.00 0.00 58.31 57.20 1mgs n LYS 45 Cb 0.68 -1.14 0.23 0.00 -0.65 0.00 0.00 35.03 34.16 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 -0.55 3.32 0.00 -5.58 6.94 -1.26 -4.90 115.26 113.23 1mgs n ASN 46 Ca 0.06 -3.29 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 1mgs n ASN 46 Cb 0.05 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.79 0.48 3.98 4.83 0.00 -1.19 -5.00 105.19 107.50 1mgs n GLY 47 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.41 2.83 0.03 1.61 0.52 -1.26 -4.90 118.95 117.38 1mgs s ARG 48 Ca 0.00 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1mgs s ARG 48 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 1mgs s ARG 48 CO 0.00 -0.38 -0.04 0.15 0.02 0.00 0.00 175.30 175.04 1mgs s LYS 49 N -4.54 0.42 -0.17 3.54 1.02 -1.26 0.78 119.74 119.53 1mgs s LYS 49 Ca 0.52 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 1mgs s LYS 49 Cb -0.10 -0.00 0.08 0.00 -0.52 0.00 0.00 37.83 37.28 1mgs s LYS 49 CO 0.36 -0.03 0.37 0.00 -0.92 0.00 0.00 175.35 175.13 1mgs s ALA 50 N -1.76 -0.94 0.28 5.17 0.00 -0.17 -4.90 121.76 119.45 1mgs s ALA 50 Ca -0.11 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1mgs s ALA 50 Cb -0.08 -1.14 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 1mgs s ALA 50 CO -0.02 -0.61 0.95 0.00 0.00 0.00 0.00 175.76 176.08 1mgs s LEU 52 N -1.63 2.80 -0.34 0.00 1.43 -0.96 -0.43 118.68 119.56 1mgs s LEU 52 Ca 0.46 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 1mgs s LEU 52 Cb -0.23 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1mgs s LEU 52 CO 0.28 -0.33 0.36 0.21 0.23 0.00 0.00 176.35 177.10 1mgs s ASN 53 N -3.66 6.18 0.00 2.29 3.04 -0.71 -3.87 114.94 118.20 1mgs s ASN 53 Ca 0.34 -0.20 0.22 0.00 0.04 0.00 0.00 52.86 53.26 1mgs s ASN 53 Cb 0.06 -2.19 1.33 0.00 -1.54 0.00 0.00 41.25 38.91 1mgs s ASN 53 CO 0.17 -0.32 1.71 -0.81 -3.04 0.00 0.00 177.10 174.81 1mgs n PRO 54 N 5.36 0.71 0.02 0.43 -0.04 -1.26 -2.33 135.00 137.89 1mgs n PRO 54 Ca -0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1mgs n PRO 54 Cb 0.50 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1mgs n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mgs n ALA 55 N -0.99 3.59 -2.21 0.55 0.00 -1.26 -4.73 120.51 115.46 1mgs n ALA 55 Ca 0.17 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 1mgs n ALA 55 Cb 0.08 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.61 1mgs n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mgs s SER 56 N -3.75 5.73 0.08 0.00 1.04 -0.98 -5.01 113.70 110.80 1mgs s SER 56 Ca 0.04 0.48 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 1mgs s SER 56 Cb 0.15 -1.61 -0.24 0.00 0.10 0.00 0.00 66.02 64.42 1mgs s SER 56 CO 0.81 -0.86 1.16 1.55 0.98 0.00 0.00 173.24 176.88 1mgs h PRO 57 N 0.14 0.48 0.18 4.02 0.13 -1.90 -3.04 132.00 132.01 1mgs h PRO 57 Ca -0.46 -0.65 -0.01 0.00 -0.87 0.00 0.00 66.00 64.02 1mgs h PRO 57 Cb 1.25 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1mgs h PRO 57 CO 0.59 1.27 -0.09 0.82 -0.23 0.00 0.00 178.00 180.36 1mgs h ILE 58 N 0.21 0.86 0.05 -3.56 2.04 -1.91 -2.41 117.51 112.78 1mgs h ILE 58 Ca -0.15 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1mgs h ILE 58 Cb 1.85 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1mgs h ILE 58 CO 0.21 0.03 -0.26 0.58 0.00 0.00 0.00 178.15 178.72 1mgs h VAL 59 N -0.31 0.42 -1.16 1.67 2.07 -1.65 0.78 116.25 118.07 1mgs h VAL 59 Ca -0.02 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.82 1mgs h VAL 59 Cb 0.24 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1mgs h VAL 59 CO 0.04 0.00 0.78 0.11 0.02 0.00 0.00 177.57 178.52 1mgs h LYS 60 N -0.43 0.19 -0.07 1.57 1.57 -1.41 0.67 116.57 118.66 1mgs h LYS 60 Ca 0.05 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 1mgs h LYS 60 Cb 0.49 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1mgs h LYS 60 CO -0.20 0.12 -0.88 0.87 -0.57 0.00 0.00 179.45 178.79 1mgs h LYS 61 N 0.19 0.65 -0.83 3.15 1.79 -0.39 -2.59 116.57 118.54 1mgs h LYS 61 Ca 0.62 -0.61 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1mgs h LYS 61 Cb 2.00 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 32.75 1mgs h LYS 61 CO -0.19 1.21 0.52 0.82 -1.08 0.00 0.00 179.45 180.74 1mgs h ILE 62 N 0.41 1.10 0.11 1.86 5.03 0.18 -0.36 117.51 125.83 1mgs h ILE 62 Ca -0.08 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 64.31 1mgs h ILE 62 Cb 1.51 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1mgs h ILE 62 CO 0.17 0.18 -0.05 0.40 -0.68 0.00 0.00 178.15 178.17 1mgs h ILE 63 N 1.00 0.00 -1.32 -0.67 5.03 -1.32 -1.98 117.51 118.25 1mgs h ILE 63 Ca 0.34 -0.11 0.38 0.00 -0.12 0.00 0.00 64.86 65.36 1mgs h ILE 63 Cb 0.07 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.80 1mgs h ILE 63 CO -0.14 0.00 1.09 1.05 -0.68 0.00 0.00 178.15 179.47 1mgs h GLU 64 N -0.25 0.00 0.36 2.37 4.11 -1.47 0.61 114.58 120.31 1mgs h GLU 64 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1mgs h GLU 64 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mgs h GLU 64 CO 0.02 0.00 -0.17 -0.22 0.07 0.00 0.00 179.01 178.71 1mgs h LYS 65 N 0.00 -0.47 -0.91 1.06 1.63 -0.99 -2.85 116.57 114.05 1mgs h LYS 65 Ca 0.63 0.03 0.26 0.00 -0.85 0.00 0.00 60.65 60.72 1mgs h LYS 65 Cb 2.80 0.11 -0.15 0.00 -0.60 0.00 0.00 32.23 34.38 1mgs h LYS 65 CO -0.01 -0.31 0.23 1.98 -3.45 0.00 0.00 179.45 177.90 1mgs h MET 66 N -1.13 0.15 0.43 1.90 4.05 -0.11 1.03 114.93 121.26 1mgs h MET 66 Ca -0.05 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1mgs h MET 66 Cb 0.38 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1mgs h MET 66 CO 0.08 0.10 -0.45 -0.07 0.23 0.00 0.00 176.91 176.80 1mgs h LEU 67 N 0.16 -1.25 -0.11 3.39 3.38 -1.40 -0.74 115.31 118.74 1mgs h LEU 67 Ca 0.59 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1mgs h LEU 67 Cb 1.23 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1mgs h LEU 67 CO -0.71 -0.60 0.00 -3.20 0.09 0.00 0.00 178.44 174.01 1mgs n ASN 68 N -5.53 0.16 0.00 -0.43 2.85 0.12 -3.06 115.26 109.38 1mgs n ASN 68 Ca -0.11 -1.70 0.11 0.00 -0.11 0.00 0.00 54.58 52.77 1mgs n ASN 68 Cb 0.43 -0.01 0.09 0.00 1.24 0.00 0.00 39.78 41.52 1mgs n ASN 68 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1mgs n SER 69 N -0.56 0.71 -1.50 1.20 3.41 0.34 -3.99 113.62 113.22 1mgs n SER 69 Ca 0.08 -0.55 -0.07 0.00 -0.26 0.00 0.00 58.87 58.07 1mgs n SER 69 Cb 0.06 0.58 0.22 0.00 -0.26 0.00 0.00 64.21 64.81 1mgs n SER 69 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mgs n ASP 70 N -1.52 3.32 -0.01 4.04 8.00 -1.07 -5.02 116.55 124.28 1mgs n ASP 70 Ca 0.05 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1mgs n ASP 70 Cb 0.34 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1mgs n ASP 70 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1mgs n LYS 71 N -0.91 0.00 0.11 -1.24 2.85 -1.26 -4.89 118.16 112.83 1mgs n LYS 71 Ca 0.39 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 1mgs n LYS 71 Cb 1.22 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.60 1mgs n LYS 71 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1mgs n SER 72 N -3.91 -0.57 0.00 -5.58 2.88 -1.26 -4.92 113.62 100.26 1mgs n SER 72 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1mgs n SER 72 Cb 0.00 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1mgs n SER 72 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35