#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhc s GLN 2 N 0.00 0.01 -0.05 9.51 0.74 -1.26 -4.65 119.66 123.96 1mhc s GLN 2 Ca 0.00 0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.87 1mhc s GLN 2 Cb 0.00 -0.30 -0.02 0.00 1.10 0.00 0.00 33.01 33.79 1mhc s GLN 2 CO 0.00 -0.25 -0.22 0.15 -0.55 0.00 0.00 175.29 174.41 1mhc s LYS 3 N 1.76 2.43 -0.15 1.67 1.02 -0.53 -4.95 119.74 120.99 1mhc s LYS 3 Ca -0.02 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 1mhc s LYS 3 Cb -0.12 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1mhc s LYS 3 CO -0.05 0.49 0.91 0.99 -0.92 0.00 0.00 175.35 176.77 1mhc s THR 4 N -0.42 4.83 0.31 2.17 2.01 -1.26 -2.84 115.64 120.45 1mhc s THR 4 Ca 0.04 1.80 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1mhc s THR 4 Cb -0.12 -4.21 -0.12 0.00 0.01 0.00 0.00 72.50 68.06 1mhc s THR 4 CO 0.01 0.01 1.46 -0.81 -0.69 0.00 0.00 174.62 174.60 1mhc n PRO 5 N 5.22 2.42 -3.78 4.92 -0.04 -1.26 -4.66 135.00 137.82 1mhc n PRO 5 Ca 0.06 0.86 -0.37 0.00 -0.04 0.00 0.00 63.50 64.02 1mhc n PRO 5 Cb 0.49 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1mhc n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1mhc s GLN 6 N -1.16 3.56 -0.02 0.54 -1.52 0.18 -4.93 119.66 116.32 1mhc s GLN 6 Ca 0.60 -0.02 0.03 0.00 -1.95 0.00 0.00 55.36 54.02 1mhc s GLN 6 Cb -0.54 -3.17 -0.00 0.00 -0.22 0.00 0.00 33.01 29.08 1mhc s GLN 6 CO 0.55 0.73 -0.11 0.42 -0.25 0.00 0.00 175.29 176.63 1mhc s ILE 7 N -1.11 0.95 -0.06 1.08 1.01 -1.26 -1.15 121.20 120.66 1mhc s ILE 7 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1mhc s ILE 7 Cb -0.13 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1mhc s ILE 7 CO 0.09 0.28 -0.05 -1.10 0.00 0.00 0.00 174.94 174.16 1mhc s GLN 8 N 0.04 1.04 -0.18 2.79 -0.21 -0.89 -5.02 119.66 117.24 1mhc s GLN 8 Ca -0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.22 1mhc s GLN 8 Cb -0.08 -1.08 -0.00 0.00 1.00 0.00 0.00 33.01 32.84 1mhc s GLN 8 CO 0.01 -0.14 -0.13 0.08 -2.12 0.00 0.00 175.29 172.99 1mhc s VAL 9 N 1.23 2.80 0.24 1.09 1.01 -1.26 -0.95 120.40 124.56 1mhc s VAL 9 Ca -0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1mhc s VAL 9 Cb -0.14 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1mhc s VAL 9 CO -0.02 0.49 0.58 -0.72 0.00 0.00 0.00 175.10 175.43 1mhc s TYR 10 N 1.05 0.04 0.05 5.22 1.13 -0.28 -4.66 117.35 119.91 1mhc s TYR 10 Ca -0.01 -0.43 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1mhc s TYR 10 Cb -0.15 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 1mhc s TYR 10 CO -0.03 -1.06 0.13 -1.54 -2.51 0.00 0.00 175.55 170.54 1mhc s SER 11 N -2.94 5.87 0.10 -0.18 1.04 -1.26 -0.20 113.70 116.12 1mhc s SER 11 Ca 0.15 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.48 1mhc s SER 11 Cb -0.03 -1.69 -0.12 0.00 0.10 0.00 0.00 66.02 64.28 1mhc s SER 11 CO 0.05 0.19 1.73 -0.09 0.98 0.00 0.00 173.24 176.11 1mhc h ARG 12 N 3.39 0.01 -6.62 4.02 2.43 -1.62 -3.43 114.38 112.56 1mhc h ARG 12 Ca -0.47 -0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.02 1mhc h ARG 12 Cb 1.17 -0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.52 1mhc h ARG 12 CO 0.69 0.00 -0.79 -1.01 -1.51 0.00 0.00 179.97 177.35 1mhc s HIS 13 N -6.19 2.60 0.54 2.20 3.76 -1.26 -5.05 115.29 111.88 1mhc s HIS 13 Ca -0.13 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.37 1mhc s HIS 13 Cb 0.07 -1.42 -0.11 0.00 1.11 0.00 0.00 32.58 32.23 1mhc s HIS 13 CO 0.67 0.34 0.33 -2.30 -0.85 0.00 0.00 174.74 172.93 1mhc n PRO 14 N 1.11 0.36 -3.44 8.40 -0.02 -1.26 -4.91 135.00 135.24 1mhc n PRO 14 Ca -0.15 0.14 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 1mhc n PRO 14 Cb 0.52 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1mhc n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mhc s PRO 15 N -1.73 3.59 -0.13 0.52 0.04 -1.26 -5.09 135.00 130.95 1mhc s PRO 15 Ca 0.65 -0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.49 1mhc s PRO 15 Cb -0.47 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1mhc s PRO 15 CO 0.58 0.26 0.32 -2.00 0.04 0.00 0.00 177.00 176.21 1mhc s GLU 16 N -3.53 0.32 0.15 4.56 2.12 -1.26 -5.12 118.70 115.94 1mhc s GLU 16 Ca 0.42 0.60 -0.34 0.00 0.36 0.00 0.00 54.97 56.01 1mhc s GLU 16 Cb -0.11 -0.01 -0.13 0.00 0.26 0.00 0.00 34.13 34.14 1mhc s GLU 16 CO 0.30 -0.13 1.62 0.09 -0.54 0.00 0.00 175.26 176.60 1mhc n ASN 17 N 3.89 3.24 0.00 -1.70 3.02 -1.26 -1.78 115.26 120.67 1mhc n ASN 17 Ca -0.21 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 1mhc n ASN 17 Cb 0.55 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1mhc n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhc n GLY 18 N 3.56 1.44 3.46 7.41 0.00 -0.49 -5.01 105.19 115.56 1mhc n GLY 18 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1mhc n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mhc s LYS 19 N -0.41 3.43 0.88 1.61 -0.14 -0.74 -4.97 119.74 119.40 1mhc s LYS 19 Ca 0.00 -0.66 -0.16 0.00 -1.36 0.00 0.00 55.97 53.80 1mhc s LYS 19 Cb 0.00 -3.56 -0.07 0.00 -1.68 0.00 0.00 37.83 32.52 1mhc s LYS 19 CO 0.00 -0.37 -0.09 -2.30 -0.76 0.00 0.00 175.35 171.82 1mhc n PRO 20 N 4.99 -0.03 -3.66 -1.68 -0.02 -1.26 -4.28 135.00 129.06 1mhc n PRO 20 Ca -0.14 0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.34 1mhc n PRO 20 Cb 0.50 -1.43 0.02 0.00 -0.02 0.00 0.00 33.50 32.56 1mhc n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1mhc n ASN 21 N 1.13 -1.46 -4.30 2.55 2.85 0.11 -4.96 115.26 111.18 1mhc n ASN 21 Ca 0.04 -1.70 -0.32 0.00 -0.11 0.00 0.00 54.58 52.49 1mhc n ASN 21 Cb 0.53 2.36 -0.16 0.00 1.24 0.00 0.00 39.78 43.75 1mhc n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1mhc s ILE 22 N -2.09 2.44 -0.21 -1.44 1.09 -1.26 -1.62 121.20 118.11 1mhc s ILE 22 Ca 0.22 -0.90 -0.11 0.00 -1.10 0.00 0.00 60.65 58.76 1mhc s ILE 22 Cb -0.02 -1.96 -0.05 0.00 -1.06 0.00 0.00 42.46 39.37 1mhc s ILE 22 CO 0.04 0.55 0.17 -0.22 -0.10 0.00 0.00 174.94 175.38 1mhc s LEU 23 N 0.14 4.17 -0.04 2.97 2.96 0.33 -1.40 118.68 127.82 1mhc s LEU 23 Ca -0.11 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1mhc s LEU 23 Cb -0.16 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1mhc s LEU 23 CO 0.06 0.11 -0.08 0.20 -1.32 0.00 0.00 176.35 175.33 1mhc s ASN 24 N 0.68 4.56 -0.32 3.68 0.02 0.72 -1.17 114.94 123.13 1mhc s ASN 24 Ca 0.09 -0.09 0.01 0.00 -1.02 0.00 0.00 52.86 51.85 1mhc s ASN 24 Cb -0.12 -1.09 0.10 0.00 0.02 0.00 0.00 41.25 40.15 1mhc s ASN 24 CO 0.02 0.33 0.06 0.00 0.02 0.00 0.00 177.10 177.53 1mhc s TYR 26 N 1.29 3.16 -0.18 0.00 5.04 -0.12 -0.40 117.35 126.14 1mhc s TYR 26 Ca 0.09 -0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 1mhc s TYR 26 Cb -0.18 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.16 1mhc s TYR 26 CO -0.16 -0.63 -0.01 0.08 -1.34 0.00 0.00 175.55 173.50 1mhc s VAL 27 N 2.32 4.08 0.18 3.14 1.01 -0.22 -2.10 120.40 128.81 1mhc s VAL 27 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1mhc s VAL 27 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1mhc s VAL 27 CO 0.14 0.46 0.11 0.42 0.00 0.00 0.00 175.10 176.23 1mhc s THR 28 N 0.59 0.03 -1.35 3.92 -4.23 -0.30 -1.41 115.64 112.90 1mhc s THR 28 Ca -0.01 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1mhc s THR 28 Cb -0.14 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1mhc s THR 28 CO 0.02 -0.14 0.97 0.00 -0.54 0.00 0.00 174.62 174.93 1mhc n GLN 29 N -0.22 -6.77 -4.28 3.99 6.02 -0.07 -0.64 117.38 115.41 1mhc n GLN 29 Ca -0.00 0.81 -0.23 0.00 -0.01 0.00 0.00 57.00 57.57 1mhc n GLN 29 Cb 0.65 -5.70 -0.08 0.00 1.02 0.00 0.00 30.24 26.14 1mhc n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1mhc s PHE 30 N -3.26 2.63 -0.29 1.08 -0.71 -1.15 -4.25 117.98 112.03 1mhc s PHE 30 Ca 0.48 -0.31 -0.16 0.00 -1.04 0.00 0.00 56.93 55.89 1mhc s PHE 30 Cb -0.21 -1.34 0.13 0.00 -1.21 0.00 0.00 43.02 40.38 1mhc s PHE 30 CO 0.60 0.54 0.90 -1.58 -1.34 0.00 0.00 175.22 174.33 1mhc s HIS 31 N -2.40 -0.71 1.23 3.49 2.46 -1.13 -1.19 115.29 117.03 1mhc s HIS 31 Ca 0.33 1.43 -0.17 0.00 0.47 0.00 0.00 55.06 57.12 1mhc s HIS 31 Cb -0.04 0.42 0.30 0.00 -0.13 0.00 0.00 32.58 33.13 1mhc s HIS 31 CO 0.20 -0.35 1.02 -1.25 -2.47 0.00 0.00 174.74 171.89 1mhc s PRO 32 N 1.36 -1.41 0.35 2.88 0.04 -1.26 -1.45 135.00 135.52 1mhc s PRO 32 Ca -0.09 0.39 0.27 0.00 0.04 0.00 0.00 61.00 61.61 1mhc s PRO 32 Cb -0.04 -1.53 1.06 0.00 0.04 0.00 0.00 34.50 34.03 1mhc s PRO 32 CO -0.16 -3.93 1.80 -1.00 0.04 0.00 0.00 177.00 173.75 1mhc h PRO 33 N -2.75 0.00 -6.30 0.56 0.13 -1.99 -3.45 132.00 118.20 1mhc h PRO 33 Ca -0.53 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 1mhc h PRO 33 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1mhc h PRO 33 CO 0.43 0.00 1.08 -1.58 -0.23 0.00 0.00 178.00 177.70 1mhc s HIS 34 N -3.40 1.99 0.01 1.56 5.65 -1.26 -4.97 115.29 114.87 1mhc s HIS 34 Ca 0.04 0.15 -0.11 0.00 0.25 0.00 0.00 55.06 55.39 1mhc s HIS 34 Cb 0.09 -3.95 0.01 0.00 -1.18 0.00 0.00 32.58 27.55 1mhc s HIS 34 CO 0.46 -4.01 0.22 -1.50 -0.65 0.00 0.00 174.74 169.27 1mhc s ILE 35 N 3.84 0.08 -0.13 0.89 2.07 -1.26 -4.54 121.20 122.15 1mhc s ILE 35 Ca 0.75 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1mhc s ILE 35 Cb -0.35 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1mhc s ILE 35 CO 0.31 -0.37 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.05 1mhc s GLU 36 N -1.75 3.06 0.01 3.50 2.12 -0.55 -5.00 118.70 120.08 1mhc s GLU 36 Ca -0.11 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.41 1mhc s GLU 36 Cb -0.05 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 1mhc s GLU 36 CO 0.01 0.07 -0.12 0.42 -0.54 0.00 0.00 175.26 175.10 1mhc s ILE 37 N 0.62 0.96 -0.01 -3.70 1.01 -1.26 -1.40 121.20 117.42 1mhc s ILE 37 Ca -0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1mhc s ILE 37 Cb -0.16 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1mhc s ILE 37 CO 0.03 0.16 0.12 -1.10 0.00 0.00 0.00 174.94 174.15 1mhc s GLN 38 N -0.57 0.39 0.00 2.79 -0.21 0.12 -5.00 119.66 117.18 1mhc s GLN 38 Ca 0.03 -0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.20 1mhc s GLN 38 Cb -0.06 0.16 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 1mhc s GLN 38 CO 0.00 -0.09 -0.25 -1.64 -2.12 0.00 0.00 175.29 171.20 1mhc s MET 39 N -1.07 2.04 0.03 2.91 -1.94 -1.26 -0.25 119.30 119.76 1mhc s MET 39 Ca -0.12 -0.97 0.06 0.00 -1.71 0.00 0.00 55.69 52.96 1mhc s MET 39 Cb -0.06 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 1mhc s MET 39 CO 0.01 0.55 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.88 1mhc s LEU 40 N -0.88 2.14 -0.20 -0.03 1.43 0.63 -0.16 118.68 121.61 1mhc s LEU 40 Ca 0.11 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1mhc s LEU 40 Cb -0.10 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.29 1mhc s LEU 40 CO 0.01 0.14 -0.16 -0.75 0.23 0.00 0.00 176.35 175.81 1mhc s LYS 41 N -1.00 2.65 -1.44 1.70 2.20 -0.04 -0.56 119.74 123.23 1mhc s LYS 41 Ca 0.06 -0.91 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1mhc s LYS 41 Cb -0.08 -2.57 0.05 0.00 -1.51 0.00 0.00 37.83 33.72 1mhc s LYS 41 CO 0.01 -0.31 0.78 0.09 -0.36 0.00 0.00 175.35 175.55 1mhc n ASN 42 N 4.60 -2.65 0.00 1.43 3.02 0.16 -1.52 115.26 120.31 1mhc n ASN 42 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1mhc n ASN 42 Cb 0.48 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1mhc n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhc n GLY 43 N -1.67 1.44 3.87 7.41 0.00 -1.26 -4.99 105.19 109.99 1mhc n GLY 43 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1mhc n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mhc s LYS 44 N -0.14 3.36 0.10 1.61 1.02 -0.57 -5.05 119.74 120.07 1mhc s LYS 44 Ca 0.00 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 55.38 1mhc s LYS 44 Cb 0.00 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.17 1mhc s LYS 44 CO 0.00 0.70 1.31 0.21 -0.92 0.00 0.00 175.35 176.65 1mhc s LYS 45 N -1.61 4.37 -0.05 1.68 2.20 -1.26 -0.86 119.74 124.20 1mhc s LYS 45 Ca 0.23 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.50 1mhc s LYS 45 Cb -0.12 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1mhc s LYS 45 CO 0.13 -0.36 1.22 0.42 -0.36 0.00 0.00 175.35 176.40 1mhc s ILE 46 N 1.04 4.19 0.06 5.43 1.01 0.77 -4.89 121.20 128.81 1mhc s ILE 46 Ca 0.62 1.52 -0.34 0.00 0.00 0.00 0.00 60.65 62.46 1mhc s ILE 46 Cb -0.34 -3.98 -0.19 0.00 0.01 0.00 0.00 42.46 37.96 1mhc s ILE 46 CO 0.30 -0.00 1.52 -0.65 0.00 0.00 0.00 174.94 176.11 1mhc h PRO 47 N 7.49 -1.03 -4.70 2.79 0.11 -1.94 -3.40 132.00 131.33 1mhc h PRO 47 Ca -0.35 0.07 -0.71 0.00 0.11 0.00 0.00 66.00 65.13 1mhc h PRO 47 Cb 1.16 0.23 -0.20 0.00 0.11 0.00 0.00 31.00 32.31 1mhc h PRO 47 CO 0.88 -0.68 0.30 0.21 -0.21 0.00 0.00 178.00 178.51 1mhc s LYS 48 N -5.78 3.25 -0.19 1.05 2.20 -1.26 -5.00 119.74 114.02 1mhc s LYS 48 Ca -0.18 -1.55 0.01 0.00 -0.36 0.00 0.00 55.97 53.89 1mhc s LYS 48 Cb 0.03 -4.43 0.02 0.00 -1.51 0.00 0.00 37.83 31.94 1mhc s LYS 48 CO 0.58 -1.58 -0.18 0.08 -0.36 0.00 0.00 175.35 173.89 1mhc s VAL 49 N 2.42 2.02 0.01 4.02 1.01 -1.26 -4.74 120.40 123.87 1mhc s VAL 49 Ca 0.18 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1mhc s VAL 49 Cb -0.17 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1mhc s VAL 49 CO 0.01 0.47 0.65 -1.61 0.00 0.00 0.00 175.10 174.62 1mhc s GLU 50 N 1.29 4.38 -0.11 2.72 0.41 -0.75 -4.93 118.70 121.71 1mhc s GLU 50 Ca 0.04 0.84 0.02 0.00 -0.41 0.00 0.00 54.97 55.45 1mhc s GLU 50 Cb -0.14 -3.36 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1mhc s GLU 50 CO -0.12 0.32 -0.16 -1.64 -0.49 0.00 0.00 175.26 173.17 1mhc s MET 51 N -0.09 3.12 1.21 1.61 -1.94 -1.26 -1.38 119.30 120.57 1mhc s MET 51 Ca 0.34 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.37 1mhc s MET 51 Cb -0.19 -2.49 0.29 0.00 2.01 0.00 0.00 34.83 34.45 1mhc s MET 51 CO 0.19 0.28 1.14 -1.54 -0.01 0.00 0.00 175.02 175.08 1mhc s SER 52 N 0.14 0.88 0.09 3.03 1.04 0.04 -5.00 113.70 113.91 1mhc s SER 52 Ca -0.09 0.48 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 1mhc s SER 52 Cb -0.15 -0.61 -0.07 0.00 0.10 0.00 0.00 66.02 65.29 1mhc s SER 52 CO 0.05 -4.13 0.58 -1.81 0.98 0.00 0.00 173.24 168.91 1mhc s ASP 53 N -4.11 7.07 0.11 7.02 1.01 -1.26 -4.81 116.67 121.70 1mhc s ASP 53 Ca 0.73 1.28 -0.31 0.00 0.71 0.00 0.00 52.55 54.95 1mhc s ASP 53 Cb -0.07 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.42 1mhc s ASP 53 CO 0.55 0.26 1.42 -0.32 0.21 0.00 0.00 175.17 177.29 1mhc s MET 54 N -1.18 4.30 0.26 8.23 -2.45 -1.26 -4.83 119.30 122.37 1mhc s MET 54 Ca 0.30 2.10 0.04 0.00 -1.25 0.00 0.00 55.69 56.89 1mhc s MET 54 Cb -0.19 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.58 1mhc s MET 54 CO 0.19 -0.48 0.16 0.45 1.05 0.00 0.00 175.02 176.39 1mhc n SER 55 N 4.17 0.26 -3.92 1.11 2.88 -1.08 -5.01 113.62 112.04 1mhc n SER 55 Ca 0.12 -2.55 -0.09 0.00 -1.33 0.00 0.00 58.87 55.02 1mhc n SER 55 Cb 0.42 0.98 -0.08 0.00 -0.75 0.00 0.00 64.21 64.77 1mhc n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1mhc s PHE 56 N -2.81 0.22 0.39 0.66 -0.71 -1.26 -1.57 117.98 112.89 1mhc s PHE 56 Ca 0.22 -0.61 -0.01 0.00 -1.04 0.00 0.00 56.93 55.49 1mhc s PHE 56 Cb 0.01 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.76 1mhc s PHE 56 CO 0.16 -0.45 0.53 0.43 -1.34 0.00 0.00 175.22 174.54 1mhc n SER 57 N 0.27 0.66 0.19 1.98 7.64 0.40 -4.94 113.62 119.82 1mhc n SER 57 Ca -0.16 -1.57 0.14 0.00 1.01 0.00 0.00 58.87 58.29 1mhc n SER 57 Cb 0.61 -0.35 0.65 0.00 -1.01 0.00 0.00 64.21 64.11 1mhc n SER 57 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1mhc h LYS 58 N 0.00 0.00 -0.65 1.43 2.10 -2.03 -1.54 116.57 115.88 1mhc h LYS 58 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1mhc h LYS 58 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1mhc h LYS 58 CO 0.18 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.23 1mhc n ASP 59 N -2.44 4.49 0.00 7.07 5.75 -1.26 -4.94 116.55 125.21 1mhc n ASP 59 Ca -0.00 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1mhc n ASP 59 Cb 0.13 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1mhc n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1mhc n TRP 60 N 1.21 0.00 -2.77 2.11 7.02 -0.58 -5.02 117.44 119.41 1mhc n TRP 60 Ca 0.25 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.37 1mhc n TRP 60 Cb 0.81 -0.52 -0.06 0.00 -2.42 0.00 0.00 31.31 29.12 1mhc n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1mhc s SER 61 N -2.74 7.13 0.58 -0.99 1.04 -1.26 -4.66 113.70 112.80 1mhc s SER 61 Ca 0.00 1.81 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 1mhc s SER 61 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1mhc s SER 61 CO 0.00 -0.22 0.92 -0.36 0.98 0.00 0.00 173.24 174.56 1mhc s PHE 62 N -1.81 3.44 0.01 5.02 0.08 -0.33 -0.45 117.98 123.94 1mhc s PHE 62 Ca 0.55 0.89 -0.14 0.00 0.12 0.00 0.00 56.93 58.36 1mhc s PHE 62 Cb -0.16 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.67 1mhc s PHE 62 CO 0.20 -0.68 0.30 1.52 -0.10 0.00 0.00 175.22 176.47 1mhc s TYR 63 N -3.01 -0.13 0.12 0.36 1.13 -0.61 -0.89 117.35 114.31 1mhc s TYR 63 Ca 0.53 0.11 -0.21 0.00 -1.41 0.00 0.00 57.07 56.08 1mhc s TYR 63 Cb -0.11 0.09 0.06 0.00 -1.10 0.00 0.00 41.96 40.90 1mhc s TYR 63 CO 0.48 -0.44 0.53 -1.50 -2.51 0.00 0.00 175.55 172.11 1mhc s ILE 64 N -1.91 0.02 -0.06 -3.49 2.07 -0.50 -2.64 121.20 114.70 1mhc s ILE 64 Ca -0.10 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 58.96 1mhc s ILE 64 Cb -0.03 -1.04 0.01 0.00 0.13 0.00 0.00 42.46 41.53 1mhc s ILE 64 CO 0.01 -0.11 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.60 1mhc s LEU 65 N -2.52 1.59 -0.01 8.50 2.96 -1.26 -1.05 118.68 126.88 1mhc s LEU 65 Ca -0.00 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1mhc s LEU 65 Cb -0.00 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1mhc s LEU 65 CO -0.09 0.02 -0.10 0.00 -1.32 0.00 0.00 176.35 174.86 1mhc s ALA 66 N 0.70 2.89 0.18 5.97 0.00 0.46 -0.78 121.76 131.18 1mhc s ALA 66 Ca -0.14 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 1mhc s ALA 66 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1mhc s ALA 66 CO 0.03 0.59 0.39 -3.38 0.00 0.00 0.00 175.76 173.39 1mhc s HIS 67 N -0.91 0.15 0.03 0.00 -3.43 -0.48 -0.00 115.29 110.64 1mhc s HIS 67 Ca 0.15 -0.51 -0.27 0.00 -0.80 0.00 0.00 55.06 53.63 1mhc s HIS 67 Cb -0.11 0.15 0.09 0.00 -1.43 0.00 0.00 32.58 31.28 1mhc s HIS 67 CO 0.05 -0.80 0.79 -0.08 -2.00 0.00 0.00 174.74 172.70 1mhc s THR 68 N -3.92 0.00 -0.02 -5.38 -1.32 -0.31 -1.81 115.64 102.88 1mhc s THR 68 Ca 0.13 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.45 1mhc s THR 68 Cb 0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1mhc s THR 68 CO -0.02 0.00 0.43 -1.83 -2.21 0.00 0.00 174.62 171.00 1mhc s GLU 69 N -2.90 4.03 0.30 7.08 -1.05 -1.26 0.12 118.70 125.02 1mhc s GLU 69 Ca 0.01 0.45 0.07 0.00 -0.15 0.00 0.00 54.97 55.35 1mhc s GLU 69 Cb -0.01 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1mhc s GLU 69 CO -0.07 0.58 0.25 1.97 0.95 0.00 0.00 175.26 178.94 1mhc n PHE 70 N 2.18 -0.70 -3.62 4.83 -1.74 -0.64 -4.86 117.46 112.91 1mhc n PHE 70 Ca -0.12 -2.53 -0.25 0.00 -0.56 0.00 0.00 57.45 53.98 1mhc n PHE 70 Cb 0.52 0.26 -0.17 0.00 1.52 0.00 0.00 39.48 41.61 1mhc n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1mhc s THR 71 N -3.22 -0.06 0.42 1.97 2.01 -1.26 -0.71 115.64 114.79 1mhc s THR 71 Ca 0.36 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 1mhc s THR 71 Cb 0.02 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.89 1mhc s THR 71 CO 0.25 -0.21 1.16 -2.65 -0.69 0.00 0.00 174.62 172.48 1mhc n PRO 72 N 5.27 1.66 -4.30 4.92 -0.02 -1.26 -4.80 135.00 136.48 1mhc n PRO 72 Ca -0.07 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 1mhc n PRO 72 Cb 0.49 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 1mhc n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mhc s THR 73 N -1.23 0.20 0.13 3.45 2.01 -1.26 -1.40 115.64 117.54 1mhc s THR 73 Ca 0.62 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.60 1mhc s THR 73 Cb -0.53 -2.51 -0.19 0.00 0.01 0.00 0.00 72.50 69.28 1mhc s THR 73 CO 0.57 0.00 1.30 -0.33 -0.69 0.00 0.00 174.62 175.48 1mhc h GLU 74 N 2.29 0.33 0.00 4.92 5.08 -1.99 -3.42 114.58 121.79 1mhc h GLU 74 Ca -0.32 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1mhc h GLU 74 Cb 1.25 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1mhc h GLU 74 CO 0.49 1.08 0.00 2.41 -1.00 0.00 0.00 179.01 181.99 1mhc n THR 75 N -3.69 0.00 -0.69 1.13 -1.04 -1.26 -5.04 114.28 103.68 1mhc n THR 75 Ca -0.06 0.48 -0.25 0.00 -2.04 0.00 0.00 64.05 62.19 1mhc n THR 75 Cb 0.85 -1.47 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 1mhc n THR 75 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1mhc n ASP 76 N -2.28 -0.49 -4.46 8.00 8.00 -1.26 -4.98 116.55 119.08 1mhc n ASP 76 Ca 0.00 0.55 -0.33 0.00 0.71 0.00 0.00 54.79 55.73 1mhc n ASP 76 Cb 0.00 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.51 1mhc n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1mhc s THR 77 N -0.39 3.04 -0.06 -3.53 -4.23 -1.26 -4.77 115.64 104.43 1mhc s THR 77 Ca 0.34 -0.72 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1mhc s THR 77 Cb -0.49 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1mhc s THR 77 CO 0.27 0.58 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.48 1mhc s TYR 78 N -0.58 1.64 0.12 3.99 2.02 -1.26 0.36 117.35 123.64 1mhc s TYR 78 Ca 0.08 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1mhc s TYR 78 Cb -0.11 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1mhc s TYR 78 CO 0.01 -0.25 0.04 0.00 -1.57 0.00 0.00 175.55 173.78 1mhc s ALA 79 N 0.40 0.82 -0.10 3.71 0.00 0.27 -0.16 121.76 126.70 1mhc s ALA 79 Ca -0.11 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.45 1mhc s ALA 79 Cb -0.14 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1mhc s ALA 79 CO 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 175.76 175.18 1mhc s ARG 81 N 0.77 3.26 0.13 0.00 3.52 0.65 -0.42 118.95 126.87 1mhc s ARG 81 Ca -0.11 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1mhc s ARG 81 Cb -0.16 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1mhc s ARG 81 CO 0.02 -0.01 -0.19 0.14 -0.81 0.00 0.00 175.30 174.46 1mhc s VAL 82 N 0.89 1.67 -0.05 7.11 -7.23 -0.57 -0.71 120.40 121.52 1mhc s VAL 82 Ca -0.03 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1mhc s VAL 82 Cb -0.15 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1mhc s VAL 82 CO -0.01 -0.22 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.77 1mhc s LYS 83 N -2.36 0.82 0.06 4.82 2.47 -0.49 -1.31 119.74 123.75 1mhc s LYS 83 Ca 0.10 -0.08 0.03 0.00 -1.56 0.00 0.00 55.97 54.46 1mhc s LYS 83 Cb -0.08 -0.88 -0.03 0.00 -1.46 0.00 0.00 37.83 35.38 1mhc s LYS 83 CO 0.05 -0.12 -0.09 -1.58 0.16 0.00 0.00 175.35 173.77 1mhc s HIS 84 N 1.09 0.85 -0.37 4.03 5.65 -1.26 -1.48 115.29 123.79 1mhc s HIS 84 Ca -0.08 -0.57 0.14 0.00 0.25 0.00 0.00 55.06 54.80 1mhc s HIS 84 Cb -0.14 -0.49 0.79 0.00 -1.18 0.00 0.00 32.58 31.56 1mhc s HIS 84 CO -0.01 -0.06 1.42 -0.25 -0.65 0.00 0.00 174.74 175.19 1mhc n ASP 85 N 1.10 0.38 -0.70 9.88 10.43 -1.26 -1.39 116.55 134.99 1mhc n ASP 85 Ca -0.20 0.65 0.05 0.00 2.57 0.00 0.00 54.79 57.86 1mhc n ASP 85 Cb 0.56 -0.69 0.15 0.00 1.84 0.00 0.00 41.12 42.98 1mhc n ASP 85 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1mhc n SER 86 N -2.01 2.00 -3.89 -2.24 3.41 -1.26 -4.83 113.62 104.81 1mhc n SER 86 Ca -0.01 -2.06 -0.19 0.00 -0.26 0.00 0.00 58.87 56.35 1mhc n SER 86 Cb 0.07 -0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 63.58 1mhc n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1mhc s MET 87 N -1.58 0.73 0.09 4.33 -1.94 -0.49 -4.92 119.30 115.52 1mhc s MET 87 Ca 0.23 -0.08 -0.28 0.00 -1.71 0.00 0.00 55.69 53.85 1mhc s MET 87 Cb 0.13 -0.76 -0.15 0.00 2.01 0.00 0.00 34.83 36.06 1mhc s MET 87 CO 0.14 -0.07 1.68 0.00 -0.01 0.00 0.00 175.02 176.75 1mhc h ALA 88 N 7.11 -0.44 -2.80 3.03 0.00 -1.88 -3.44 119.26 120.84 1mhc h ALA 88 Ca -0.39 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1mhc h ALA 88 Cb 1.15 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 1mhc h ALA 88 CO 0.48 -0.76 -0.75 -1.21 0.00 0.00 0.00 179.25 177.01 1mhc s GLU 89 N -6.12 1.86 0.31 0.00 0.41 -1.26 -5.10 118.70 108.80 1mhc s GLU 89 Ca -0.15 -1.46 -0.29 0.00 -0.41 0.00 0.00 54.97 52.66 1mhc s GLU 89 Cb 0.05 -2.00 -0.10 0.00 -1.78 0.00 0.00 34.13 30.30 1mhc s GLU 89 CO 0.64 0.40 1.37 -2.14 -0.49 0.00 0.00 175.26 175.04 1mhc s PRO 90 N -3.03 4.30 -0.18 0.39 0.02 -1.26 -4.94 135.00 130.30 1mhc s PRO 90 Ca 0.26 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 1mhc s PRO 90 Cb -0.07 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1mhc s PRO 90 CO 0.14 -0.30 0.23 0.21 -0.33 0.00 0.00 177.00 176.95 1mhc s LYS 91 N -1.37 4.23 -0.27 5.54 2.20 -0.43 -4.93 119.74 124.71 1mhc s LYS 91 Ca 0.53 -0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1mhc s LYS 91 Cb -0.41 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1mhc s LYS 91 CO 0.51 0.25 0.09 0.99 -0.36 0.00 0.00 175.35 176.83 1mhc s THR 92 N 0.47 4.31 -0.25 3.43 2.01 -1.26 -1.51 115.64 122.84 1mhc s THR 92 Ca 0.13 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1mhc s THR 92 Cb -0.12 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1mhc s THR 92 CO 0.02 0.23 -0.03 0.68 -0.69 0.00 0.00 174.62 174.83 1mhc s VAL 93 N 1.59 3.19 0.19 3.82 -7.23 0.45 -4.95 120.40 117.46 1mhc s VAL 93 Ca 0.05 -0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 59.19 1mhc s VAL 93 Cb -0.16 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 1mhc s VAL 93 CO 0.04 0.24 0.71 -0.31 -0.31 0.00 0.00 175.10 175.46 1mhc s TYR 94 N 1.40 3.71 0.18 2.82 2.02 -1.26 0.45 117.35 126.66 1mhc s TYR 94 Ca 0.02 1.40 -0.30 0.00 -0.37 0.00 0.00 57.07 57.82 1mhc s TYR 94 Cb -0.16 -2.62 -0.08 0.00 -0.40 0.00 0.00 41.96 38.70 1mhc s TYR 94 CO -0.03 0.40 1.27 -0.46 -1.57 0.00 0.00 175.55 175.16 1mhc s TRP 95 N -1.40 3.32 -0.13 2.71 -0.00 0.78 -4.92 118.94 119.30 1mhc s TRP 95 Ca 0.40 1.28 0.03 0.00 -0.00 0.00 0.00 56.10 57.80 1mhc s TRP 95 Cb -0.18 -3.54 0.01 0.00 -0.00 0.00 0.00 33.47 29.76 1mhc s TRP 95 CO 0.22 -1.65 -0.22 0.34 -0.00 0.00 0.00 176.95 175.64 1mhc s ASP 96 N 0.36 3.14 0.00 5.86 2.15 -1.26 -4.83 116.67 122.09 1mhc s ASP 96 Ca 0.56 -0.59 0.18 0.00 0.43 0.00 0.00 52.55 53.13 1mhc s ASP 96 Cb -0.35 -1.45 0.88 0.00 -0.30 0.00 0.00 42.92 41.70 1mhc s ASP 96 CO 0.37 0.10 1.54 -2.11 -0.17 0.00 0.00 175.17 174.89 1mhc n ARG 97 N 3.96 0.22 -0.26 4.34 1.85 -1.26 -2.95 116.66 122.55 1mhc n ARG 97 Ca -0.20 0.13 0.10 0.00 -1.00 0.00 0.00 57.85 56.88 1mhc n ARG 97 Cb 0.52 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.67 1mhc n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1mhc n ASP 98 N -1.32 3.48 0.00 2.89 10.43 -1.26 -4.82 116.55 125.95 1mhc n ASP 98 Ca 0.08 -1.97 0.00 0.00 2.57 0.00 0.00 54.79 55.46 1mhc n ASP 98 Cb 0.15 -0.35 0.00 0.00 1.84 0.00 0.00 41.12 42.76 1mhc n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36