#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgs s ARG 17 N 0.00 2.58 0.00 1.64 6.06 -1.26 -5.09 118.95 122.88 3mgs s ARG 17 Ca 0.00 -0.70 0.00 0.00 -2.50 0.00 0.00 55.73 52.53 3mgs s ARG 17 Cb 0.00 -2.09 0.00 0.00 0.06 0.00 0.00 34.95 32.92 3mgs s ARG 17 CO 0.00 0.02 0.00 1.58 -2.50 0.00 0.00 175.30 174.40 3mgs n HIS 18 N 3.96 0.00 -3.15 5.12 -0.00 -1.26 -5.03 115.22 114.87 3mgs n HIS 18 Ca -0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.45 3mgs n HIS 18 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.51 3mgs n HIS 18 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3mgs n ARG 19 N 0.00 -1.18 -1.83 1.57 1.74 -1.26 -4.97 116.66 110.72 3mgs n ARG 19 Ca 0.00 1.28 -0.35 0.00 -0.77 0.00 0.00 57.85 58.01 3mgs n ARG 19 Cb 0.00 -2.11 0.05 0.00 -1.02 0.00 0.00 32.46 29.38 3mgs n ARG 19 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3mgs s LYS 20 N -1.42 2.74 0.25 5.56 2.20 -1.26 -4.95 119.74 122.87 3mgs s LYS 20 Ca 0.07 1.74 -0.31 0.00 -0.36 0.00 0.00 55.97 57.11 3mgs s LYS 20 Cb -0.01 -1.91 -0.12 0.00 -1.51 0.00 0.00 37.83 34.28 3mgs s LYS 20 CO 0.31 -1.36 1.63 0.28 -0.36 0.00 0.00 175.35 175.85 3mgs n VAL 21 N -2.00 0.62 -3.53 4.02 0.31 -1.26 -4.97 118.33 111.51 3mgs n VAL 21 Ca 0.13 -0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 63.93 3mgs n VAL 21 Cb 0.50 -1.92 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 3mgs n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3mgs s LEU 22 N 0.20 4.06 -0.05 7.52 1.43 -1.26 -5.07 118.68 125.50 3mgs s LEU 22 Ca 0.69 0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 53.71 3mgs s LEU 22 Cb -0.52 -2.24 0.05 0.00 0.03 0.00 0.00 46.19 43.51 3mgs s LEU 22 CO 0.42 -0.06 0.50 0.00 0.23 0.00 0.00 176.35 177.44 3mgs s ARG 23 N 1.66 0.84 -1.83 1.70 1.70 -1.26 -4.96 118.95 116.80 3mgs s ARG 23 Ca 0.10 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.48 3mgs s ARG 23 Cb -0.15 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 3mgs s ARG 23 CO 0.09 -0.24 0.00 -3.47 -1.08 0.00 0.00 175.30 170.60 3mgs n ASP 24 N 1.27 -5.78 0.22 -2.89 2.03 -1.26 -4.88 116.55 105.27 3mgs n ASP 24 Ca -0.20 0.08 0.15 0.00 0.52 0.00 0.00 54.79 55.34 3mgs n ASP 24 Cb 0.56 -4.84 0.61 0.00 -0.72 0.00 0.00 41.12 36.73 3mgs n ASP 24 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3mgs h ASN 25 N 0.00 0.00 -0.81 1.67 2.35 -2.02 -2.63 115.58 114.15 3mgs h ASN 25 Ca -0.48 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.47 3mgs h ASN 25 Cb 1.36 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.68 3mgs h ASN 25 CO 0.58 0.00 0.55 -0.29 -1.65 0.00 0.00 177.43 176.62 3mgs h ILE 26 N 0.00 0.69 0.00 2.81 6.09 -1.98 0.25 117.51 125.37 3mgs h ILE 26 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3mgs h ILE 26 Cb 0.48 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.16 3mgs h ILE 26 CO 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 178.15 175.13 3mgs n GLN 27 N -4.44 0.12 0.05 2.19 1.13 -0.99 -0.72 117.38 114.71 3mgs n GLN 27 Ca 0.16 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.56 3mgs n GLN 27 Cb 0.69 -1.50 0.49 0.00 0.11 0.00 0.00 30.24 30.02 3mgs n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgs n GLY 28 N -0.28 -1.44 3.51 1.08 0.00 0.89 -4.00 105.19 104.95 3mgs n GLY 28 Ca 0.05 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3mgs n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgs s ILE 29 N -3.07 4.39 0.67 -0.61 -1.09 0.10 -4.99 121.20 116.59 3mgs s ILE 29 Ca 0.11 -1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 56.88 3mgs s ILE 29 Cb 0.14 -4.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 3mgs s ILE 29 CO 0.48 -1.76 1.11 0.42 -1.23 0.00 0.00 174.94 173.96 3mgs s THR 30 N 3.58 3.23 0.20 2.92 -4.23 -1.26 -4.84 115.64 115.25 3mgs s THR 30 Ca 0.42 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 61.39 3mgs s THR 30 Cb -0.01 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.87 3mgs s THR 30 CO -0.06 -0.36 1.75 0.50 -0.54 0.00 0.00 174.62 175.91 3mgs h LYS 31 N -0.03 0.39 -0.33 3.99 3.64 -1.94 -1.12 116.57 121.18 3mgs h LYS 31 Ca -0.47 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 3mgs h LYS 31 Cb 1.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3mgs h LYS 31 CO 0.54 0.26 0.06 -1.00 -2.27 0.00 0.00 179.45 177.04 3mgs h PRO 32 N 0.40 0.49 -0.38 1.90 0.13 -1.99 -0.81 132.00 131.75 3mgs h PRO 32 Ca 0.29 -0.08 -0.16 0.00 -0.87 0.00 0.00 66.00 65.17 3mgs h PRO 32 Cb 0.33 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 3mgs h PRO 32 CO -0.28 0.47 -0.40 0.00 -0.23 0.00 0.00 178.00 177.55 3mgs h ALA 33 N 1.59 0.56 -0.41 -0.56 0.00 -1.76 -1.87 119.26 116.82 3mgs h ALA 33 Ca 0.11 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3mgs h ALA 33 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3mgs h ALA 33 CO -0.00 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.67 3mgs h ILE 34 N 0.76 1.25 0.05 0.00 2.04 -1.03 -2.04 117.51 118.54 3mgs h ILE 34 Ca 0.06 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3mgs h ILE 34 Cb 1.00 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3mgs h ILE 34 CO 0.10 0.37 -0.03 -0.09 0.00 0.00 0.00 178.15 178.50 3mgs h ARG 35 N 0.65 -0.07 -0.72 2.37 2.43 -1.02 -1.94 114.38 116.08 3mgs h ARG 35 Ca 0.12 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.43 3mgs h ARG 35 Cb 0.52 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 3mgs h ARG 35 CO 0.03 0.10 0.24 0.00 -1.51 0.00 0.00 179.97 178.83 3mgs h ARG 36 N -0.23 0.35 -0.51 0.20 3.08 -1.22 -0.51 114.38 115.55 3mgs h ARG 36 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3mgs h ARG 36 Cb 0.20 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mgs h ARG 36 CO 0.01 0.23 0.22 -0.07 -1.07 0.00 0.00 179.97 179.30 3mgs h LEU 37 N 0.37 0.68 -1.75 3.04 3.38 -1.15 -2.20 115.31 117.67 3mgs h LEU 37 Ca 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3mgs h LEU 37 Cb 0.61 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mgs h LEU 37 CO -0.43 0.64 -0.12 0.00 0.09 0.00 0.00 178.44 178.62 3mgs h ALA 38 N 1.07 1.80 0.43 1.53 0.00 -0.42 -0.90 119.26 122.76 3mgs h ALA 38 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3mgs h ALA 38 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mgs h ALA 38 CO -0.02 0.15 -0.21 0.00 0.00 0.00 0.00 179.25 179.18 3mgs h ARG 39 N 0.01 -0.56 -0.96 0.00 2.47 -0.69 0.44 114.38 115.09 3mgs h ARG 39 Ca 0.00 0.04 0.24 0.00 -1.26 0.00 0.00 59.98 59.00 3mgs h ARG 39 Cb 0.21 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.60 3mgs h ARG 39 CO 0.02 -0.26 0.65 -0.09 0.56 0.00 0.00 179.97 180.85 3mgs h ARG 40 N -0.89 0.27 0.00 0.04 2.43 -1.23 1.25 114.38 116.25 3mgs h ARG 40 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3mgs h ARG 40 Cb 0.57 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3mgs h ARG 40 CO 0.10 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3mgs n GLY 41 N -1.57 -0.90 1.17 2.80 0.00 -0.36 -4.86 105.19 101.46 3mgs n GLY 41 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3mgs n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgs n GLY 42 N 0.69 0.69 3.69 -0.02 0.00 0.43 -5.03 105.19 105.63 3mgs n GLY 42 Ca 0.17 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3mgs n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgs s VAL 43 N -2.00 5.08 -0.13 1.61 1.01 0.14 -4.97 120.40 121.14 3mgs s VAL 43 Ca 0.00 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 3mgs s VAL 43 Cb 0.00 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.20 3mgs s VAL 43 CO 0.00 0.20 0.33 1.17 0.00 0.00 0.00 175.10 176.80 3mgs n LYS 44 N 4.41 0.75 -4.18 2.72 4.81 -1.26 -4.20 118.16 121.21 3mgs n LYS 44 Ca -0.03 0.26 -0.18 0.00 -0.87 0.00 0.00 58.31 57.49 3mgs n LYS 44 Cb 0.51 -1.70 -0.15 0.00 0.02 0.00 0.00 35.03 33.71 3mgs n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3mgs s ARG 45 N -2.55 0.59 -0.14 1.64 3.52 -1.26 -5.13 118.95 115.62 3mgs s ARG 45 Ca -0.23 -0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3mgs s ARG 45 Cb 0.07 -0.59 0.03 0.00 -1.56 0.00 0.00 34.95 32.90 3mgs s ARG 45 CO 0.76 0.05 -0.07 0.42 -0.81 0.00 0.00 175.30 175.64 3mgs s ILE 46 N 0.25 1.12 0.69 4.11 1.01 -1.26 -5.12 121.20 122.00 3mgs s ILE 46 Ca -0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 3mgs s ILE 46 Cb -0.07 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3mgs s ILE 46 CO -0.00 0.28 1.26 -0.55 0.00 0.00 0.00 174.94 175.93 3mgs s SER 47 N 1.65 4.36 0.53 3.58 0.15 -1.26 -4.92 113.70 117.80 3mgs s SER 47 Ca 0.03 2.51 0.31 0.00 0.70 0.00 0.00 55.95 59.50 3mgs s SER 47 Cb -0.14 -2.61 1.43 0.00 -1.71 0.00 0.00 66.02 62.99 3mgs s SER 47 CO -0.08 -2.16 2.03 1.23 1.20 0.00 0.00 173.24 175.45 3mgs h GLY 48 N 0.13 0.00 -0.21 9.45 0.00 -2.06 -2.62 103.07 107.76 3mgs h GLY 48 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3mgs h GLY 48 CO 0.51 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 178.05 3mgs n LEU 49 N -3.34 1.29 -0.21 3.11 4.77 -1.26 -4.13 117.00 117.22 3mgs n LEU 49 Ca -0.01 -0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 3mgs n LEU 49 Cb 0.28 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3mgs n LEU 49 CO 0.29 0.22 0.94 0.40 -1.33 0.00 0.00 177.39 177.90 3mgs h ILE 50 N 1.96 1.24 -0.40 -0.08 1.08 -1.84 -3.01 117.51 116.46 3mgs h ILE 50 Ca 0.00 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3mgs h ILE 50 Cb 0.46 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3mgs h ILE 50 CO 0.00 0.32 0.20 1.88 -0.69 0.00 0.00 178.15 179.85 3mgs h TYR 51 N 0.85 0.58 -0.43 1.37 -1.99 -1.81 0.41 116.97 115.95 3mgs h TYR 51 Ca 0.19 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 3mgs h TYR 51 Cb 0.30 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 3mgs h TYR 51 CO 0.02 0.48 -0.22 1.49 -0.00 0.00 0.00 178.16 179.93 3mgs h GLU 52 N 0.51 0.86 -0.87 4.88 4.57 -1.84 -1.33 114.58 121.37 3mgs h GLU 52 Ca 0.14 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 3mgs h GLU 52 Cb 0.11 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3mgs h GLU 52 CO -0.02 1.00 0.46 1.49 -1.18 0.00 0.00 179.01 180.76 3mgs h GLU 53 N 0.75 1.22 -0.21 1.92 4.57 -1.13 -2.48 114.58 119.22 3mgs h GLU 53 Ca 0.10 -0.15 -0.19 0.00 -1.18 0.00 0.00 59.36 57.94 3mgs h GLU 53 Cb 0.76 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3mgs h GLU 53 CO 0.06 0.90 -0.61 1.15 -1.18 0.00 0.00 179.01 179.33 3mgs h THR 54 N 1.21 1.29 -0.65 0.32 2.02 0.22 -1.91 112.91 115.42 3mgs h THR 54 Ca 0.30 -1.81 0.11 0.00 0.77 0.00 0.00 66.41 65.79 3mgs h THR 54 Cb 0.05 1.84 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 3mgs h THR 54 CO -0.05 0.58 0.21 0.03 0.37 0.00 0.00 175.52 176.66 3mgs h ARG 55 N 0.52 0.35 -0.63 6.66 3.08 -1.15 0.51 114.38 123.72 3mgs h ARG 55 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3mgs h ARG 55 Cb 1.23 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3mgs h ARG 55 CO 0.13 0.23 0.41 0.78 -1.07 0.00 0.00 179.97 180.46 3mgs h GLY 56 N 0.36 0.89 0.98 0.04 0.00 -1.07 0.02 103.07 104.30 3mgs h GLY 56 Ca 0.34 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3mgs h GLY 56 CO -0.37 0.31 -0.16 -2.08 0.00 0.00 0.00 176.54 174.24 3mgs h VAL 57 N 0.84 1.28 -0.72 4.60 2.07 -0.71 -2.65 116.25 120.96 3mgs h VAL 57 Ca 0.24 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3mgs h VAL 57 Cb -0.07 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3mgs h VAL 57 CO -0.06 0.42 0.43 0.25 0.02 0.00 0.00 177.57 178.62 3mgs h LEU 58 N 0.54 0.87 -0.35 2.57 5.85 -0.76 -2.22 115.31 121.81 3mgs h LEU 58 Ca 0.08 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3mgs h LEU 58 Cb 0.69 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3mgs h LEU 58 CO 0.05 0.68 0.15 0.50 -0.34 0.00 0.00 178.44 179.48 3mgs h LYS 59 N 0.98 0.31 -0.67 1.25 3.64 -0.73 0.11 116.57 121.46 3mgs h LYS 59 Ca 0.26 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3mgs h LYS 59 Cb -0.02 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3mgs h LYS 59 CO -0.05 0.20 0.41 0.28 -2.27 0.00 0.00 179.45 178.03 3mgs h VAL 60 N 0.32 1.09 -0.35 2.00 2.07 -1.46 -1.33 116.25 118.58 3mgs h VAL 60 Ca 0.15 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3mgs h VAL 60 Cb 0.09 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3mgs h VAL 60 CO -0.13 0.15 0.20 0.15 0.02 0.00 0.00 177.57 177.95 3mgs h PHE 61 N 0.81 0.48 -0.38 1.57 3.57 -0.48 -2.12 116.94 120.39 3mgs h PHE 61 Ca 0.27 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3mgs h PHE 61 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3mgs h PHE 61 CO -0.05 0.38 0.05 -0.07 -2.23 0.00 0.00 178.31 176.39 3mgs h LEU 62 N 0.45 0.61 -0.60 0.59 3.38 -0.63 -2.46 115.31 116.65 3mgs h LEU 62 Ca 0.12 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3mgs h LEU 62 Cb 0.05 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3mgs h LEU 62 CO -0.02 0.73 0.21 -0.33 0.09 0.00 0.00 178.44 179.12 3mgs h GLU 63 N 0.47 0.36 -0.21 1.13 5.08 -1.05 0.41 114.58 120.77 3mgs h GLU 63 Ca 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3mgs h GLU 63 Cb 0.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3mgs h GLU 63 CO 0.01 0.24 0.00 -0.91 -1.00 0.00 0.00 179.01 177.35 3mgs h ASN 64 N 0.38 0.37 -0.36 1.42 2.35 -1.21 -0.37 115.58 118.16 3mgs h ASN 64 Ca 0.31 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3mgs h ASN 64 Cb 0.39 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3mgs h ASN 64 CO -0.32 0.58 0.03 0.58 -1.65 0.00 0.00 177.43 176.65 3mgs h VAL 65 N 0.14 1.25 -0.29 2.81 2.07 -1.03 -3.01 116.25 118.19 3mgs h VAL 65 Ca 0.06 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3mgs h VAL 65 Cb 0.39 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3mgs h VAL 65 CO 0.01 0.30 -0.01 0.40 0.02 0.00 0.00 177.57 178.29 3mgs h ILE 66 N 0.44 1.26 -0.70 4.57 2.04 -0.04 -0.55 117.51 124.52 3mgs h ILE 66 Ca 0.11 -0.97 0.13 0.00 1.00 0.00 0.00 64.86 65.12 3mgs h ILE 66 Cb 0.41 1.31 -0.13 0.00 -0.74 0.00 0.00 36.82 37.67 3mgs h ILE 66 CO 0.01 0.31 -0.29 -0.09 0.00 0.00 0.00 178.15 178.09 3mgs h ARG 67 N 0.31 -0.08 -0.27 2.37 2.43 -1.09 0.71 114.38 118.76 3mgs h ARG 67 Ca 0.08 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3mgs h ARG 67 Cb 0.46 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3mgs h ARG 67 CO 0.02 -0.06 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.88 3mgs h ASP 68 N -0.09 0.56 -0.42 -3.80 5.19 -1.37 -0.33 116.42 116.16 3mgs h ASP 68 Ca 0.29 -0.39 0.08 0.00 -0.62 0.00 0.00 57.03 56.39 3mgs h ASP 68 Cb 0.56 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 39.84 3mgs h ASP 68 CO -0.75 0.82 -0.06 0.00 -3.12 0.00 0.00 179.24 176.13 3mgs h ALA 69 N 0.75 0.32 -0.08 3.45 0.00 0.10 -1.08 119.26 122.73 3mgs h ALA 69 Ca 0.06 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3mgs h ALA 69 Cb 0.60 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3mgs h ALA 69 CO 0.03 -0.43 -0.54 0.28 0.00 0.00 0.00 179.25 178.59 3mgs h VAL 70 N 0.04 1.37 -0.75 0.00 2.07 0.50 -1.72 116.25 117.77 3mgs h VAL 70 Ca 0.20 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.91 3mgs h VAL 70 Cb 0.31 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3mgs h VAL 70 CO -0.40 0.55 0.47 0.74 0.02 0.00 0.00 177.57 178.95 3mgs h THR 71 N 0.18 1.11 0.03 2.57 2.02 -0.23 0.65 112.91 119.24 3mgs h THR 71 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3mgs h THR 71 Cb 1.02 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3mgs h THR 71 CO 0.08 0.17 -0.03 1.88 0.37 0.00 0.00 175.52 177.99 3mgs h TYR 72 N 0.92 -0.09 -0.47 3.16 0.99 -0.80 -0.15 116.97 120.53 3mgs h TYR 72 Ca 0.30 0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.12 3mgs h TYR 72 Cb 0.01 0.03 -0.08 0.00 1.00 0.00 0.00 36.73 37.70 3mgs h TYR 72 CO -0.04 -0.06 0.00 1.15 -0.00 0.00 0.00 178.16 179.22 3mgs h THR 73 N -0.08 0.64 0.02 -2.88 2.02 -0.70 -2.21 112.91 109.72 3mgs h THR 73 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3mgs h THR 73 Cb 0.08 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3mgs h THR 73 CO -0.01 0.02 -0.01 -0.33 0.37 0.00 0.00 175.52 175.56 3mgs h GLU 74 N 0.12 -0.02 -0.01 6.66 5.08 -0.73 -1.31 114.58 124.36 3mgs h GLU 74 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3mgs h GLU 74 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3mgs h GLU 74 CO -0.39 0.26 0.30 1.25 -1.00 0.00 0.00 179.01 179.43 3mgs h HIS 75 N -0.30 0.00 -0.26 4.33 2.76 -0.70 0.82 115.15 121.80 3mgs h HIS 75 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3mgs h HIS 75 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 3mgs h HIS 75 CO 0.02 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.65 3mgs n ALA 76 N -1.93 2.44 -3.41 5.26 0.00 -0.54 -4.95 120.51 117.39 3mgs n ALA 76 Ca -0.02 -0.86 -0.25 0.00 0.00 0.00 0.00 53.44 52.31 3mgs n ALA 76 Cb 0.35 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.94 3mgs n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mgs n LYS 77 N 1.36 -4.63 -3.94 0.00 5.02 0.28 -4.99 118.16 111.26 3mgs n LYS 77 Ca 0.18 0.66 -0.22 0.00 -2.02 0.00 0.00 58.31 56.91 3mgs n LYS 77 Cb 0.59 -5.48 -0.04 0.00 -0.02 0.00 0.00 35.03 30.07 3mgs n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgs s ARG 78 N -6.09 2.70 0.00 1.97 0.52 -0.92 -5.03 118.95 112.10 3mgs s ARG 78 Ca 0.45 -1.28 0.09 0.00 -0.52 0.00 0.00 55.73 54.47 3mgs s ARG 78 Cb -0.22 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 3mgs s ARG 78 CO 0.55 0.18 0.51 1.63 0.02 0.00 0.00 175.30 178.19 3mgs n LYS 79 N -1.28 2.89 -4.27 3.54 5.02 -1.26 -4.51 118.16 118.29 3mgs n LYS 79 Ca -0.04 -0.37 -0.34 0.00 -2.02 0.00 0.00 58.31 55.55 3mgs n LYS 79 Cb 0.59 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.48 3mgs n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mgs s THR 80 N -1.44 3.47 -0.33 -0.18 2.01 -1.26 -5.07 115.64 112.83 3mgs s THR 80 Ca 0.06 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3mgs s THR 80 Cb 0.07 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 70.05 3mgs s THR 80 CO 0.26 0.47 1.38 -0.69 -0.69 0.00 0.00 174.62 175.35 3mgs s VAL 81 N 0.86 4.01 0.61 3.82 1.01 -1.26 -4.92 120.40 124.53 3mgs s VAL 81 Ca -0.01 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 3mgs s VAL 81 Cb -0.15 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3mgs s VAL 81 CO 0.01 -0.55 0.92 0.42 0.00 0.00 0.00 175.10 175.90 3mgs s THR 82 N 4.84 3.45 0.34 3.92 -4.23 -1.26 -4.99 115.64 117.72 3mgs s THR 82 Ca 0.60 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 61.25 3mgs s THR 82 Cb -0.16 -3.39 0.13 0.00 1.34 0.00 0.00 72.50 70.42 3mgs s THR 82 CO 0.27 -0.40 1.85 0.00 -0.54 0.00 0.00 174.62 175.80 3mgs h ALA 83 N -0.25 1.29 -0.63 3.99 0.00 -1.95 -2.58 119.26 119.14 3mgs h ALA 83 Ca -0.45 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 3mgs h ALA 83 Cb 1.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3mgs h ALA 83 CO 0.61 0.41 0.16 0.52 0.00 0.00 0.00 179.25 180.94 3mgs h MET 84 N 0.00 0.98 -0.42 0.00 2.86 -1.94 0.18 114.93 116.59 3mgs h MET 84 Ca -0.00 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3mgs h MET 84 Cb 0.65 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3mgs h MET 84 CO 0.04 0.87 0.11 -0.44 1.06 0.00 0.00 176.91 178.55 3mgs h ASP 85 N 0.94 0.07 -0.44 1.22 3.32 -1.80 0.60 116.42 120.33 3mgs h ASP 85 Ca 0.20 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 3mgs h ASP 85 Cb 0.33 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3mgs h ASP 85 CO -0.00 0.07 -0.09 0.58 -1.72 0.00 0.00 179.24 178.09 3mgs h VAL 86 N 0.25 1.26 -0.09 -1.35 2.07 -1.36 -0.99 116.25 116.04 3mgs h VAL 86 Ca 0.20 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3mgs h VAL 86 Cb 0.22 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3mgs h VAL 86 CO -0.24 0.41 0.01 0.58 0.02 0.00 0.00 177.57 178.36 3mgs h VAL 87 N 0.81 1.23 -0.22 2.57 2.07 0.50 0.25 116.25 123.46 3mgs h VAL 87 Ca 0.14 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3mgs h VAL 87 Cb 0.60 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3mgs h VAL 87 CO 0.04 0.20 -0.06 1.88 0.02 0.00 0.00 177.57 179.65 3mgs h TYR 88 N -0.10 0.34 -0.10 1.57 0.99 0.25 0.18 116.97 120.09 3mgs h TYR 88 Ca 0.03 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3mgs h TYR 88 Cb 0.31 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 37.94 3mgs h TYR 88 CO 0.02 0.39 -0.05 0.00 -0.00 0.00 0.00 178.16 178.53 3mgs h ALA 89 N 1.63 0.15 -0.62 3.88 0.00 -0.86 -2.39 119.26 121.05 3mgs h ALA 89 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3mgs h ALA 89 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3mgs h ALA 89 CO 0.01 -0.09 0.35 -0.07 0.00 0.00 0.00 179.25 179.45 3mgs h LEU 90 N -0.14 0.76 0.32 0.00 3.38 -0.00 -2.91 115.31 116.72 3mgs h LEU 90 Ca 0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3mgs h LEU 90 Cb 0.49 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3mgs h LEU 90 CO 0.01 0.63 -0.32 0.50 0.09 0.00 0.00 178.44 179.35 3mgs h LYS 91 N 0.84 -0.65 0.00 1.13 3.64 -0.88 -0.88 116.57 119.76 3mgs h LYS 91 Ca 0.22 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3mgs h LYS 91 Cb 0.03 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3mgs h LYS 91 CO -0.04 -0.43 0.00 2.89 -2.27 0.00 0.00 179.45 179.60 3mgs n ARG 92 N -5.44 0.01 -0.41 1.90 1.85 -0.91 0.52 116.66 114.19 3mgs n ARG 92 Ca -0.09 0.41 0.11 0.00 -1.00 0.00 0.00 57.85 57.27 3mgs n ARG 92 Cb 0.34 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.57 3mgs n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mgs n GLN 93 N -1.44 2.98 -2.93 2.89 6.02 -0.80 -4.94 117.38 119.16 3mgs n GLN 93 Ca 0.01 -2.67 -0.21 0.00 -0.01 0.00 0.00 57.00 54.13 3mgs n GLN 93 Cb 0.02 -1.62 0.03 0.00 1.02 0.00 0.00 30.24 29.70 3mgs n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgs n GLY 94 N 1.41 -0.42 2.58 1.08 0.00 0.19 -4.93 105.19 105.09 3mgs n GLY 94 Ca 0.24 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 3mgs n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgs n ARG 95 N -3.73 2.99 -1.56 1.61 5.12 -0.40 -5.04 116.66 115.65 3mgs n ARG 95 Ca -0.11 -4.37 -0.52 0.00 -1.93 0.00 0.00 57.85 50.92 3mgs n ARG 95 Cb 0.62 -2.09 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 3mgs n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3mgs n THR 96 N -0.35 0.34 -5.21 0.55 -1.04 -1.24 -4.36 114.28 102.97 3mgs n THR 96 Ca 0.33 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.94 3mgs n THR 96 Cb 0.63 -0.61 -0.17 0.00 -1.82 0.00 0.00 70.33 68.36 3mgs n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mgs s LEU 97 N 0.54 2.08 -0.02 -4.42 2.96 -1.26 -4.97 118.68 113.58 3mgs s LEU 97 Ca 0.82 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3mgs s LEU 97 Cb -0.99 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3mgs s LEU 97 CO 0.51 0.17 0.21 -0.31 -1.32 0.00 0.00 176.35 175.61 3mgs s TYR 98 N 0.28 3.57 0.00 5.38 2.02 -1.26 -4.66 117.35 122.68 3mgs s TYR 98 Ca -0.17 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3mgs s TYR 98 Cb -0.17 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 3mgs s TYR 98 CO 0.08 0.65 0.00 0.41 -1.57 0.00 0.00 175.55 175.12 3mgs n GLY 99 N 1.23 1.46 0.19 0.71 0.00 -1.26 -4.97 105.19 102.54 3mgs n GLY 99 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3mgs n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mgs n PHE 100 N -0.02 0.00 0.00 1.61 3.01 -1.26 -5.10 117.46 115.70 3mgs n PHE 100 Ca 0.00 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.55 3mgs n PHE 100 Cb 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 3mgs n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgs n GLY 101 N -1.20 -1.27 3.54 1.37 0.00 -1.26 -4.66 105.19 101.71 3mgs n GLY 101 Ca 0.14 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3mgs n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93