#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhc n GLN 2 N 0.00 1.51 -3.84 9.51 1.13 -1.25 -4.71 117.38 119.73 1mhc n GLN 2 Ca 0.00 0.51 -0.36 0.00 -1.94 0.00 0.00 57.00 55.21 1mhc n GLN 2 Cb 0.00 -2.47 -0.13 0.00 0.11 0.00 0.00 30.24 27.75 1mhc n GLN 2 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1mhc s LYS 3 N 4.83 3.50 0.33 -1.09 1.02 -0.56 -4.96 119.74 122.81 1mhc s LYS 3 Ca 1.01 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1mhc s LYS 3 Cb -0.84 -3.15 -0.11 0.00 -0.52 0.00 0.00 37.83 33.21 1mhc s LYS 3 CO 0.54 -0.20 1.51 0.99 -0.92 0.00 0.00 175.35 177.27 1mhc s THR 4 N 1.54 2.17 0.35 2.17 2.01 -1.26 -3.03 115.64 119.59 1mhc s THR 4 Ca 0.06 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1mhc s THR 4 Cb -0.15 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1mhc s THR 4 CO -0.00 0.03 1.04 -2.16 -0.69 0.00 0.00 174.62 172.84 1mhc s PRO 5 N -1.32 4.38 -0.10 4.92 0.04 -1.26 -4.39 135.00 137.27 1mhc s PRO 5 Ca 0.57 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 1mhc s PRO 5 Cb -0.46 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1mhc s PRO 5 CO 0.55 0.04 0.14 -1.14 0.04 0.00 0.00 177.00 176.63 1mhc s GLN 6 N -2.10 3.42 -0.01 4.56 0.74 0.31 -4.92 119.66 121.66 1mhc s GLN 6 Ca 0.52 -0.18 0.05 0.00 0.05 0.00 0.00 55.36 55.81 1mhc s GLN 6 Cb -0.24 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 1mhc s GLN 6 CO 0.31 0.76 -0.16 0.42 -0.55 0.00 0.00 175.29 176.06 1mhc s ILE 7 N -1.08 1.28 -0.03 -2.34 1.01 -1.26 -0.86 121.20 117.91 1mhc s ILE 7 Ca 0.17 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1mhc s ILE 7 Cb -0.12 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1mhc s ILE 7 CO 0.07 0.34 -0.02 -1.10 0.00 0.00 0.00 174.94 174.23 1mhc s GLN 8 N -0.44 0.45 -0.16 2.79 -0.21 -0.72 -5.01 119.66 116.37 1mhc s GLN 8 Ca 0.06 -0.00 0.02 0.00 0.02 0.00 0.00 55.36 55.45 1mhc s GLN 8 Cb -0.06 -0.56 0.01 0.00 1.00 0.00 0.00 33.01 33.40 1mhc s GLN 8 CO -0.00 -0.09 -0.21 0.08 -2.12 0.00 0.00 175.29 172.95 1mhc s VAL 9 N 0.85 2.09 0.25 1.09 1.01 -1.26 -1.20 120.40 123.23 1mhc s VAL 9 Ca -0.09 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 1mhc s VAL 9 Cb -0.13 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1mhc s VAL 9 CO -0.01 0.54 0.60 -0.72 0.00 0.00 0.00 175.10 175.51 1mhc s TYR 10 N 1.07 0.00 0.07 5.22 1.13 -0.48 -4.61 117.35 119.74 1mhc s TYR 10 Ca -0.01 -0.40 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1mhc s TYR 10 Cb -0.14 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 1mhc s TYR 10 CO -0.08 -1.09 0.13 -1.54 -2.51 0.00 0.00 175.55 170.46 1mhc s SER 11 N -2.94 5.84 0.12 -0.18 1.04 -1.26 -0.02 113.70 116.30 1mhc s SER 11 Ca 0.14 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.48 1mhc s SER 11 Cb -0.03 -1.67 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1mhc s SER 11 CO 0.05 0.18 1.76 -0.09 0.98 0.00 0.00 173.24 176.13 1mhc h ARG 12 N 3.28 0.22 -6.20 4.02 2.43 -1.38 -3.44 114.38 113.30 1mhc h ARG 12 Ca -0.46 -0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.11 1mhc h ARG 12 Cb 1.16 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.55 1mhc h ARG 12 CO 0.69 0.14 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.59 1mhc s HIS 13 N -6.18 2.52 0.34 2.20 3.76 -1.26 -5.05 115.29 111.62 1mhc s HIS 13 Ca -0.13 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.23 1mhc s HIS 13 Cb 0.09 -1.11 -0.12 0.00 1.11 0.00 0.00 32.58 32.54 1mhc s HIS 13 CO 0.69 0.66 1.22 -2.30 -0.85 0.00 0.00 174.74 174.16 1mhc n PRO 14 N -0.78 1.93 -2.41 8.40 -0.02 -1.26 -4.92 135.00 135.94 1mhc n PRO 14 Ca -0.06 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 1mhc n PRO 14 Cb 0.59 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.84 4.56 -0.02 0.52 0.04 -1.26 -5.06 135.00 131.93 1mhc s PRO 15 Ca 0.57 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.48 1mhc s PRO 15 Cb -0.59 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 30.85 1mhc s PRO 15 CO 0.61 0.11 0.03 -2.00 0.04 0.00 0.00 177.00 175.80 1mhc s GLU 16 N -1.57 -0.02 0.11 4.56 -6.30 -1.26 -5.11 118.70 109.12 1mhc s GLU 16 Ca 0.46 0.21 -0.31 0.00 -2.50 0.00 0.00 54.97 52.83 1mhc s GLU 16 Cb -0.33 -0.30 -0.10 0.00 0.00 0.00 0.00 34.13 33.40 1mhc s GLU 16 CO 0.43 -0.19 1.73 -0.80 0.02 0.00 0.00 175.26 176.45 1mhc s ASN 17 N 1.22 6.50 0.00 -1.70 0.01 -1.26 -2.37 114.94 117.34 1mhc s ASN 17 Ca -0.07 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 54.73 1mhc s ASN 17 Cb -0.13 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1mhc s ASN 17 CO -0.03 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.23 1mhc n GLY 18 N 4.08 0.79 3.49 0.66 0.00 -0.84 -4.99 105.19 108.38 1mhc n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.38 3.51 0.69 1.61 1.02 -1.00 -4.99 119.74 120.19 1mhc s LYS 19 Ca 0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 55.97 55.29 1mhc s LYS 19 Cb 0.00 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1mhc s LYS 19 CO 0.00 0.30 1.16 -2.14 -0.92 0.00 0.00 175.35 173.75 1mhc s PRO 20 N 0.19 2.47 0.32 -1.68 0.02 -1.26 -3.96 135.00 131.11 1mhc s PRO 20 Ca -0.03 1.60 -0.18 0.00 0.02 0.00 0.00 61.00 62.40 1mhc s PRO 20 Cb -0.14 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.54 1mhc s PRO 20 CO 0.03 -1.54 0.84 1.21 -0.33 0.00 0.00 177.00 177.21 1mhc s ASN 21 N -2.25 -0.04 -0.12 2.53 3.84 0.86 -4.97 114.94 114.79 1mhc s ASN 21 Ca 0.71 -0.95 0.00 0.00 0.21 0.00 0.00 52.86 52.83 1mhc s ASN 21 Cb -0.25 0.75 -0.02 0.00 -0.55 0.00 0.00 41.25 41.18 1mhc s ASN 21 CO 0.43 -1.48 -0.13 -0.63 -2.79 0.00 0.00 177.10 172.50 1mhc s ILE 22 N -2.51 3.06 -0.23 -5.21 1.09 -1.26 -1.15 121.20 114.99 1mhc s ILE 22 Ca 0.16 -0.67 -0.09 0.00 -1.10 0.00 0.00 60.65 58.95 1mhc s ILE 22 Cb -0.05 -2.27 -0.04 0.00 -1.06 0.00 0.00 42.46 39.04 1mhc s ILE 22 CO 0.09 0.54 0.11 -0.22 -0.10 0.00 0.00 174.94 175.36 1mhc s LEU 23 N 0.16 3.84 0.00 2.97 2.96 0.31 -0.86 118.68 128.07 1mhc s LEU 23 Ca -0.07 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1mhc s LEU 23 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1mhc s LEU 23 CO 0.05 0.07 -0.01 0.20 -1.32 0.00 0.00 176.35 175.33 1mhc s ASN 24 N 1.03 5.03 -0.34 3.68 0.02 0.97 -1.70 114.94 123.62 1mhc s ASN 24 Ca 0.06 -0.04 0.01 0.00 -1.02 0.00 0.00 52.86 51.87 1mhc s ASN 24 Cb -0.14 -1.29 0.11 0.00 0.02 0.00 0.00 41.25 39.95 1mhc s ASN 24 CO 0.04 0.28 0.12 0.00 0.02 0.00 0.00 177.10 177.55 1mhc s TYR 26 N 1.19 3.15 -0.17 0.00 5.04 -0.34 -1.41 117.35 124.80 1mhc s TYR 26 Ca 0.12 0.26 -0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1mhc s TYR 26 Cb -0.19 -3.10 -0.03 0.00 0.35 0.00 0.00 41.96 38.99 1mhc s TYR 26 CO -0.16 -0.63 -0.02 0.08 -1.34 0.00 0.00 175.55 173.47 1mhc s VAL 27 N 2.63 3.93 0.25 3.14 1.01 -0.50 -1.75 120.40 129.13 1mhc s VAL 27 Ca 0.23 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1mhc s VAL 27 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1mhc s VAL 27 CO 0.15 0.48 0.14 0.42 0.00 0.00 0.00 175.10 176.28 1mhc s THR 28 N 0.52 0.25 -1.46 3.92 -4.23 -0.04 -1.07 115.64 113.53 1mhc s THR 28 Ca -0.02 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 1mhc s THR 28 Cb -0.14 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1mhc s THR 28 CO 0.02 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.02 1mhc n GLN 29 N -0.43 -6.05 -4.04 3.99 6.02 -0.27 -0.53 117.38 116.07 1mhc n GLN 29 Ca 0.02 0.75 -0.24 0.00 -0.01 0.00 0.00 57.00 57.52 1mhc n GLN 29 Cb 0.66 -5.68 -0.06 0.00 1.02 0.00 0.00 30.24 26.17 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 -3.24 2.65 -0.29 1.08 -0.71 -1.16 -4.34 117.98 111.97 1mhc s PHE 30 Ca 0.52 -0.51 -0.18 0.00 -1.04 0.00 0.00 56.93 55.72 1mhc s PHE 30 Cb -0.24 -1.89 0.17 0.00 -1.21 0.00 0.00 43.02 39.84 1mhc s PHE 30 CO 0.64 0.19 1.13 -1.58 -1.34 0.00 0.00 175.22 174.26 1mhc s HIS 31 N -2.53 -0.34 1.10 3.49 2.46 -1.17 -1.07 115.29 117.24 1mhc s HIS 31 Ca 0.41 0.70 -0.13 0.00 0.47 0.00 0.00 55.06 56.51 1mhc s HIS 31 Cb 0.01 0.27 0.25 0.00 -0.13 0.00 0.00 32.58 32.97 1mhc s HIS 31 CO 0.23 -0.17 1.06 -1.25 -2.47 0.00 0.00 174.74 172.14 1mhc s PRO 32 N 0.94 -0.42 0.53 2.88 0.04 -1.26 -1.50 135.00 136.21 1mhc s PRO 32 Ca -0.05 0.61 0.31 0.00 0.04 0.00 0.00 61.00 61.90 1mhc s PRO 32 Cb -0.04 -1.63 1.45 0.00 0.04 0.00 0.00 34.50 34.32 1mhc s PRO 32 CO -0.12 -3.33 2.04 -1.00 0.04 0.00 0.00 177.00 174.63 1mhc h PRO 33 N -2.33 0.00 -6.11 0.56 0.13 -1.99 -3.44 132.00 118.83 1mhc h PRO 33 Ca -0.58 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.97 1mhc h PRO 33 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1mhc h PRO 33 CO 0.54 0.10 1.40 -1.01 -0.23 0.00 0.00 178.00 178.79 1mhc s HIS 34 N -3.94 1.31 0.04 1.56 3.76 -1.26 -4.96 115.29 111.79 1mhc s HIS 34 Ca -0.01 0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1mhc s HIS 34 Cb 0.11 -4.01 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 1mhc s HIS 34 CO 0.56 -4.19 -0.03 -1.50 -0.85 0.00 0.00 174.74 168.73 1mhc s ILE 35 N 7.23 0.18 -0.13 0.60 2.07 -1.26 -4.55 121.20 125.33 1mhc s ILE 35 Ca 0.94 -1.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1mhc s ILE 35 Cb -0.33 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.26 1mhc s ILE 35 CO 0.36 -0.79 -0.18 -0.70 -1.91 0.00 0.00 174.94 171.72 1mhc s GLU 36 N -2.91 2.58 0.00 3.50 2.12 -0.47 -4.98 118.70 118.54 1mhc s GLU 36 Ca -0.02 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1mhc s GLU 36 Cb 0.01 -2.19 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 1mhc s GLU 36 CO -0.06 -0.10 -0.17 0.42 -0.54 0.00 0.00 175.26 174.81 1mhc s ILE 37 N 1.06 1.33 0.01 -3.70 1.01 -1.26 -1.26 121.20 118.39 1mhc s ILE 37 Ca -0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 1mhc s ILE 37 Cb -0.14 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1mhc s ILE 37 CO -0.05 0.30 -0.01 -1.10 0.00 0.00 0.00 174.94 174.08 1mhc s GLN 38 N -0.60 0.20 -0.02 2.79 -0.21 -0.17 -5.01 119.66 116.64 1mhc s GLN 38 Ca 0.06 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.13 1mhc s GLN 38 Cb -0.07 0.07 -0.03 0.00 1.00 0.00 0.00 33.01 33.99 1mhc s GLN 38 CO -0.00 -0.03 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.33 1mhc s MET 39 N -0.90 2.33 0.20 2.91 -1.94 -1.26 -0.79 119.30 119.86 1mhc s MET 39 Ca -0.10 -0.80 0.10 0.00 -1.71 0.00 0.00 55.69 53.17 1mhc s MET 39 Cb -0.06 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1mhc s MET 39 CO -0.01 0.59 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.90 1mhc s LEU 40 N -0.90 2.49 -0.09 -0.03 1.43 0.42 -0.52 118.68 121.46 1mhc s LEU 40 Ca 0.12 -0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 52.28 1mhc s LEU 40 Cb -0.10 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1mhc s LEU 40 CO 0.02 -0.01 0.01 -0.75 0.23 0.00 0.00 176.35 175.84 1mhc s LYS 41 N -3.06 0.57 -1.03 1.70 2.20 0.40 -1.73 119.74 118.79 1mhc s LYS 41 Ca 0.21 0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1mhc s LYS 41 Cb -0.05 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 35.11 1mhc s LYS 41 CO 0.09 -0.37 0.08 0.09 -0.36 0.00 0.00 175.35 174.88 1mhc n ASN 42 N 5.14 -3.76 0.00 1.43 3.02 -0.09 -0.49 115.26 120.51 1mhc n ASN 42 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1mhc n ASN 42 Cb 0.50 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 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 -0.85 0.81 3.70 7.41 0.00 -1.26 -5.04 105.19 109.96 1mhc n GLY 43 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.32 2.81 0.14 1.61 1.02 0.36 -5.07 119.74 120.29 1mhc s LYS 44 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 1mhc s LYS 44 Cb 0.00 -2.69 -0.08 0.00 -0.52 0.00 0.00 37.83 34.55 1mhc s LYS 44 CO 0.00 0.62 1.27 0.21 -0.92 0.00 0.00 175.35 176.53 1mhc s LYS 45 N -1.66 4.41 -0.01 1.68 2.20 -1.26 -0.45 119.74 124.64 1mhc s LYS 45 Ca 0.21 1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 57.46 1mhc s LYS 45 Cb -0.12 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1mhc s LYS 45 CO 0.12 -0.25 1.06 0.42 -0.36 0.00 0.00 175.35 176.34 1mhc s ILE 46 N 0.52 4.58 0.09 5.43 1.01 0.32 -4.87 121.20 128.28 1mhc s ILE 46 Ca 0.58 1.86 -0.14 0.00 0.00 0.00 0.00 60.65 62.94 1mhc s ILE 46 Cb -0.34 -4.19 -0.16 0.00 0.01 0.00 0.00 42.46 37.78 1mhc s ILE 46 CO 0.34 0.10 1.29 1.55 0.00 0.00 0.00 174.94 178.22 1mhc h PRO 47 N 6.93 0.73 -3.74 2.79 0.13 -1.94 -3.41 132.00 133.49 1mhc h PRO 47 Ca -0.39 -0.58 -0.79 0.00 -0.87 0.00 0.00 66.00 63.37 1mhc h PRO 47 Cb 1.20 0.12 -0.27 0.00 0.13 0.00 0.00 31.00 32.18 1mhc h PRO 47 CO 0.80 1.20 0.41 0.21 -0.23 0.00 0.00 178.00 180.38 1mhc s LYS 48 N -3.76 4.01 -0.19 0.86 2.20 -1.26 -4.99 119.74 116.61 1mhc s LYS 48 Ca -0.11 -2.93 -0.05 0.00 -0.36 0.00 0.00 55.97 52.52 1mhc s LYS 48 Cb 0.08 -4.56 -0.02 0.00 -1.51 0.00 0.00 37.83 31.82 1mhc s LYS 48 CO 0.88 -1.30 -0.01 0.08 -0.36 0.00 0.00 175.35 174.65 1mhc s VAL 49 N -0.60 3.94 -0.09 4.02 1.01 -1.26 -4.71 120.40 122.72 1mhc s VAL 49 Ca 0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1mhc s VAL 49 Cb -0.09 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1mhc s VAL 49 CO -0.08 0.44 0.22 -1.61 0.00 0.00 0.00 175.10 174.07 1mhc s GLU 50 N 0.89 3.59 -0.05 2.72 0.41 -0.40 -4.92 118.70 120.94 1mhc s GLU 50 Ca 0.01 0.03 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 1mhc s GLU 50 Cb -0.14 -3.20 0.02 0.00 -1.78 0.00 0.00 34.13 29.02 1mhc s GLU 50 CO 0.02 0.74 -0.08 -1.64 -0.49 0.00 0.00 175.26 173.81 1mhc s MET 51 N -1.01 1.18 1.14 1.61 -1.94 -1.26 -0.71 119.30 118.31 1mhc s MET 51 Ca 0.17 -0.24 -0.16 0.00 -1.71 0.00 0.00 55.69 53.76 1mhc s MET 51 Cb -0.13 -1.06 0.26 0.00 2.01 0.00 0.00 34.83 35.91 1mhc s MET 51 CO 0.07 -0.02 1.07 -1.54 -0.01 0.00 0.00 175.02 174.58 1mhc s SER 52 N 0.74 1.36 0.67 3.03 1.04 -0.54 -4.99 113.70 115.01 1mhc s SER 52 Ca -0.12 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 1mhc s SER 52 Cb -0.15 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 1mhc s SER 52 CO 0.02 -3.90 1.05 -1.81 0.98 0.00 0.00 173.24 169.58 1mhc s ASP 53 N -3.38 5.72 -0.00 7.02 1.01 -1.26 -4.64 116.67 121.14 1mhc s ASP 53 Ca 0.68 1.48 -0.19 0.00 0.71 0.00 0.00 52.55 55.23 1mhc s ASP 53 Cb -0.17 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 1mhc s ASP 53 CO 0.59 -1.20 0.55 -0.32 0.21 0.00 0.00 175.17 174.99 1mhc s MET 54 N -5.13 4.23 0.05 8.23 1.75 -1.26 -4.66 119.30 122.50 1mhc s MET 54 Ca 0.57 0.65 0.01 0.00 -1.25 0.00 0.00 55.69 55.66 1mhc s MET 54 Cb -0.12 -3.31 -0.00 0.00 2.84 0.00 0.00 34.83 34.23 1mhc s MET 54 CO 0.54 0.45 0.03 0.45 -0.65 0.00 0.00 175.02 175.84 1mhc n SER 55 N 2.48 0.52 -3.86 1.11 2.88 -1.03 -5.00 113.62 110.71 1mhc n SER 55 Ca -0.09 -1.27 -0.09 0.00 -1.33 0.00 0.00 58.87 56.10 1mhc n SER 55 Cb 0.51 0.16 -0.07 0.00 -0.75 0.00 0.00 64.21 64.06 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 -1.91 0.16 0.56 0.66 -0.71 -1.26 -1.78 117.98 113.70 1mhc s PHE 56 Ca 0.04 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.37 1mhc s PHE 56 Cb 0.00 -0.07 0.10 0.00 -1.21 0.00 0.00 43.02 41.85 1mhc s PHE 56 CO 0.03 -0.54 0.78 0.43 -1.34 0.00 0.00 175.22 174.57 1mhc n SER 57 N -0.06 1.50 0.32 1.98 7.64 -0.27 -4.95 113.62 119.79 1mhc n SER 57 Ca -0.15 -2.16 0.20 0.00 1.01 0.00 0.00 58.87 57.77 1mhc n SER 57 Cb 0.62 -0.46 1.09 0.00 -1.01 0.00 0.00 64.21 64.45 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 -0.67 1.43 2.10 -2.03 0.19 116.57 117.60 1mhc h LYS 58 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1mhc h LYS 58 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1mhc h LYS 58 CO 0.32 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.38 1mhc n ASP 59 N -3.28 4.28 0.00 7.07 5.75 -1.26 -4.92 116.55 124.20 1mhc n ASP 59 Ca -0.03 -2.58 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1mhc n ASP 59 Cb 0.10 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.58 0.00 -2.58 2.11 7.02 0.05 -5.00 117.44 119.63 1mhc n TRP 60 Ca 0.20 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.35 1mhc n TRP 60 Cb 0.88 -0.73 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.63 6.57 0.46 -0.99 1.04 -1.26 -4.60 113.70 112.30 1mhc s SER 61 Ca 0.00 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.16 1mhc s SER 61 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1mhc s SER 61 CO 0.00 -0.62 0.73 -0.36 0.98 0.00 0.00 173.24 173.97 1mhc s PHE 62 N -2.22 3.44 -0.02 5.02 0.08 -0.23 -1.11 117.98 122.93 1mhc s PHE 62 Ca 0.63 0.58 -0.15 0.00 0.12 0.00 0.00 56.93 58.12 1mhc s PHE 62 Cb -0.12 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1mhc s PHE 62 CO 0.21 -0.29 0.31 1.52 -0.10 0.00 0.00 175.22 176.88 1mhc s TYR 63 N -2.65 -0.20 0.04 0.36 1.13 -0.73 -1.11 117.35 114.19 1mhc s TYR 63 Ca 0.47 0.31 -0.23 0.00 -1.41 0.00 0.00 57.07 56.21 1mhc s TYR 63 Cb -0.10 0.10 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 1mhc s TYR 63 CO 0.42 -0.38 0.52 -1.50 -2.51 0.00 0.00 175.55 172.10 1mhc s ILE 64 N -1.24 0.03 -0.06 -3.49 2.07 -0.23 -2.48 121.20 115.80 1mhc s ILE 64 Ca -0.13 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 58.92 1mhc s ILE 64 Cb -0.05 -0.97 -0.00 0.00 0.13 0.00 0.00 42.46 41.57 1mhc s ILE 64 CO 0.04 -0.13 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.54 1mhc s LEU 65 N -1.94 1.92 0.10 8.50 2.96 -1.26 -1.41 118.68 127.56 1mhc s LEU 65 Ca -0.06 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1mhc s LEU 65 Cb -0.01 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1mhc s LEU 65 CO -0.01 0.15 -0.16 0.00 -1.32 0.00 0.00 176.35 175.01 1mhc s ALA 66 N 0.15 2.76 0.23 5.97 0.00 -0.50 -1.46 121.76 128.90 1mhc s ALA 66 Ca -0.08 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 1mhc s ALA 66 Cb -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1mhc s ALA 66 CO 0.04 0.61 0.60 -3.38 0.00 0.00 0.00 175.76 173.63 1mhc s HIS 67 N -1.14 -0.15 0.24 0.00 -3.43 0.11 -1.35 115.29 109.57 1mhc s HIS 67 Ca 0.19 -0.22 -0.22 0.00 -0.80 0.00 0.00 55.06 54.00 1mhc s HIS 67 Cb -0.11 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.61 1mhc s HIS 67 CO 0.11 -1.04 0.89 -0.08 -2.00 0.00 0.00 174.74 172.61 1mhc s THR 68 N -3.89 0.00 -0.06 -5.38 -1.32 -0.69 -1.28 115.64 103.02 1mhc s THR 68 Ca 0.10 -0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 59.73 1mhc s THR 68 Cb -0.03 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1mhc s THR 68 CO 0.01 0.00 0.17 -1.61 -2.21 0.00 0.00 174.62 170.98 1mhc s GLU 69 N -3.03 3.46 0.24 7.08 2.02 -1.26 -0.53 118.70 126.69 1mhc s GLU 69 Ca 0.14 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.76 1mhc s GLU 69 Cb -0.03 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 31.07 1mhc s GLU 69 CO 0.06 0.73 0.61 -0.59 0.02 0.00 0.00 175.26 176.09 1mhc s PHE 70 N -1.17 -0.09 -0.14 1.61 -0.71 -0.30 -4.86 117.98 112.32 1mhc s PHE 70 Ca 0.21 -0.30 -0.01 0.00 -1.04 0.00 0.00 56.93 55.79 1mhc s PHE 70 Cb -0.12 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1mhc s PHE 70 CO 0.11 -1.08 -0.02 0.99 -1.34 0.00 0.00 175.22 173.88 1mhc s THR 71 N -3.91 0.72 0.65 -4.49 2.01 -1.26 -0.10 115.64 109.26 1mhc s THR 71 Ca 0.12 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1mhc s THR 71 Cb -0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1mhc s THR 71 CO 0.03 0.10 0.93 -2.65 -0.69 0.00 0.00 174.62 172.34 1mhc n PRO 72 N 5.01 0.72 -3.55 4.92 -0.02 -1.25 -4.81 135.00 136.01 1mhc n PRO 72 Ca -0.10 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1mhc n PRO 72 Cb 0.48 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.63 0.00 0.05 3.45 2.01 -1.26 -1.99 115.64 116.26 1mhc s THR 73 Ca 0.75 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1mhc s THR 73 Cb -0.39 -1.28 -0.33 0.00 0.01 0.00 0.00 72.50 70.51 1mhc s THR 73 CO 0.48 0.00 1.06 -0.33 -0.69 0.00 0.00 174.62 175.14 1mhc h GLU 74 N 2.00 0.43 0.00 4.92 4.39 -2.02 -3.35 114.58 120.96 1mhc h GLU 74 Ca -0.28 -0.74 -0.17 0.00 0.34 0.00 0.00 59.36 58.51 1mhc h GLU 74 Cb 1.28 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 1mhc h GLU 74 CO 0.33 1.35 -0.80 1.15 -1.16 0.00 0.00 179.01 179.88 1mhc h THR 75 N 0.12 1.46 -3.40 1.13 2.02 -2.01 -3.46 112.91 108.77 1mhc h THR 75 Ca -0.21 -2.85 -0.55 0.00 0.77 0.00 0.00 66.41 63.57 1mhc h THR 75 Cb 2.09 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 71.05 1mhc h THR 75 CO 0.25 0.79 0.19 -1.81 0.37 0.00 0.00 175.52 175.30 1mhc s ASP 76 N -6.67 7.17 -0.09 4.18 1.01 -1.26 -5.02 116.67 115.99 1mhc s ASP 76 Ca 0.01 1.41 0.01 0.00 0.71 0.00 0.00 52.55 54.69 1mhc s ASP 76 Cb 0.10 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 1mhc s ASP 76 CO 0.79 -0.11 -0.12 0.42 0.21 0.00 0.00 175.17 176.36 1mhc s THR 77 N 0.56 3.21 -0.05 -1.27 -4.23 -1.26 -4.71 115.64 107.88 1mhc s THR 77 Ca 0.42 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1mhc s THR 77 Cb -0.20 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1mhc s THR 77 CO 0.22 0.56 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.33 1mhc s TYR 78 N -0.21 2.17 0.12 3.99 2.02 -1.26 -0.92 117.35 123.26 1mhc s TYR 78 Ca 0.01 -0.64 -0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1mhc s TYR 78 Cb -0.13 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 1mhc s TYR 78 CO 0.03 -0.20 0.02 0.00 -1.57 0.00 0.00 175.55 173.83 1mhc s ALA 79 N -0.09 0.90 -0.07 3.71 0.00 -0.71 -1.10 121.76 124.40 1mhc s ALA 79 Ca -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1mhc s ALA 79 Cb -0.13 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1mhc s ALA 79 CO 0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 175.76 175.24 1mhc s ARG 81 N 0.72 2.25 0.12 0.00 3.52 0.03 -0.65 118.95 124.94 1mhc s ARG 81 Ca -0.13 -0.83 0.05 0.00 -0.13 0.00 0.00 55.73 54.69 1mhc s ARG 81 Cb -0.16 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1mhc s ARG 81 CO 0.03 0.37 -0.11 0.14 -0.81 0.00 0.00 175.30 174.92 1mhc s VAL 82 N -0.19 1.12 -0.03 7.11 -7.23 -0.17 -1.00 120.40 120.00 1mhc s VAL 82 Ca -0.01 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1mhc s VAL 82 Cb -0.12 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1mhc s VAL 82 CO 0.02 -0.56 0.01 -0.75 -0.31 0.00 0.00 175.10 173.51 1mhc s LYS 83 N -3.00 0.27 0.04 4.82 2.47 -0.39 -1.75 119.74 122.21 1mhc s LYS 83 Ca 0.09 0.10 0.01 0.00 -1.56 0.00 0.00 55.97 54.61 1mhc s LYS 83 Cb -0.02 -0.48 -0.03 0.00 -1.46 0.00 0.00 37.83 35.84 1mhc s LYS 83 CO 0.01 -0.15 -0.05 -1.58 0.16 0.00 0.00 175.35 173.74 1mhc s HIS 84 N 1.11 0.50 -0.71 4.03 5.65 -1.26 -1.37 115.29 123.24 1mhc s HIS 84 Ca -0.08 -0.70 0.10 0.00 0.25 0.00 0.00 55.06 54.63 1mhc s HIS 84 Cb -0.13 -0.33 0.51 0.00 -1.18 0.00 0.00 32.58 31.45 1mhc s HIS 84 CO -0.02 -0.20 1.31 -0.25 -0.65 0.00 0.00 174.74 174.93 1mhc n ASP 85 N 1.01 0.23 -0.28 9.88 10.43 -1.26 -1.77 116.55 134.77 1mhc n ASP 85 Ca -0.20 0.59 0.14 0.00 2.57 0.00 0.00 54.79 57.90 1mhc n ASP 85 Cb 0.57 -0.63 0.56 0.00 1.84 0.00 0.00 41.12 43.46 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 -1.79 0.98 -4.22 -2.24 3.41 -1.26 -4.84 113.62 103.65 1mhc n SER 86 Ca 0.00 -1.09 -0.32 0.00 -0.26 0.00 0.00 58.87 57.20 1mhc n SER 86 Cb 0.05 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.22 3.03 0.27 4.33 -1.94 -0.73 -4.90 119.30 117.13 1mhc s MET 87 Ca 0.34 -0.88 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1mhc s MET 87 Cb 0.20 -2.30 0.34 0.00 2.01 0.00 0.00 34.83 35.09 1mhc s MET 87 CO 0.41 0.19 1.85 0.00 -0.01 0.00 0.00 175.02 177.46 1mhc h ALA 88 N 6.68 1.21 -2.37 3.03 0.00 -1.88 -3.45 119.26 122.49 1mhc h ALA 88 Ca -0.20 -0.17 -0.47 0.00 0.00 0.00 0.00 54.91 54.08 1mhc h ALA 88 Cb 1.24 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1mhc h ALA 88 CO 0.47 0.58 -0.75 -1.21 0.00 0.00 0.00 179.25 178.34 1mhc s GLU 89 N -5.48 1.33 0.43 0.00 8.01 -1.26 -5.13 118.70 116.60 1mhc s GLU 89 Ca -0.11 -1.55 -0.22 0.00 0.01 0.00 0.00 54.97 53.09 1mhc s GLU 89 Cb 0.16 -1.19 -0.09 0.00 -4.31 0.00 0.00 34.13 28.70 1mhc s GLU 89 CO 0.81 0.21 1.04 -1.25 0.01 0.00 0.00 175.26 176.08 1mhc s PRO 90 N -3.44 4.03 -0.17 0.39 0.04 -1.26 -4.90 135.00 129.69 1mhc s PRO 90 Ca 0.21 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1mhc s PRO 90 Cb -0.02 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1mhc s PRO 90 CO 0.07 -0.24 0.04 0.21 0.04 0.00 0.00 177.00 177.11 1mhc s LYS 91 N -2.80 3.86 -0.17 4.56 2.20 -0.72 -4.94 119.74 121.74 1mhc s LYS 91 Ca 0.62 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1mhc s LYS 91 Cb -0.19 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1mhc s LYS 91 CO 0.24 0.29 -0.10 0.99 -0.36 0.00 0.00 175.35 176.41 1mhc s THR 92 N 0.29 3.09 -0.08 3.43 2.01 -1.26 -1.00 115.64 122.13 1mhc s THR 92 Ca 0.02 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1mhc s THR 92 Cb -0.13 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1mhc s THR 92 CO 0.01 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.57 1mhc s VAL 93 N 0.82 2.74 0.14 3.82 1.01 0.18 -4.95 120.40 124.16 1mhc s VAL 93 Ca -0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1mhc s VAL 93 Cb -0.15 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1mhc s VAL 93 CO 0.01 0.56 0.39 -0.31 0.00 0.00 0.00 175.10 175.75 1mhc s TYR 94 N -0.23 3.48 -0.03 5.22 2.02 -1.26 -0.51 117.35 126.05 1mhc s TYR 94 Ca -0.00 0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 57.00 1mhc s TYR 94 Cb -0.13 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1mhc s TYR 94 CO 0.03 0.43 1.07 -0.46 -1.57 0.00 0.00 175.55 175.06 1mhc s TRP 95 N -1.63 3.48 -0.25 2.71 -0.00 -0.25 -4.83 118.94 118.17 1mhc s TRP 95 Ca 0.40 1.50 0.02 0.00 -0.00 0.00 0.00 56.10 58.02 1mhc s TRP 95 Cb -0.12 -3.26 0.06 0.00 -0.00 0.00 0.00 33.47 30.15 1mhc s TRP 95 CO 0.23 -0.58 -0.08 0.34 -0.00 0.00 0.00 176.95 176.87 1mhc s ASP 96 N 1.14 4.13 0.59 5.86 2.15 -1.26 -4.81 116.67 124.47 1mhc s ASP 96 Ca 0.53 -1.29 0.31 0.00 0.43 0.00 0.00 52.55 52.54 1mhc s ASP 96 Cb -0.23 -1.35 1.27 0.00 -0.30 0.00 0.00 42.92 42.32 1mhc s ASP 96 CO 0.24 -0.22 1.59 0.03 -0.17 0.00 0.00 175.17 176.64 1mhc h ARG 97 N 7.87 0.00 -0.01 4.34 3.08 -1.95 -0.77 114.38 126.94 1mhc h ARG 97 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1mhc h ARG 97 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1mhc h ARG 97 CO 0.43 0.00 -0.26 -0.25 -1.07 0.00 0.00 179.97 178.82 1mhc n ASP 98 N -3.57 1.61 -0.01 7.04 9.92 -1.26 -4.86 116.55 125.42 1mhc n ASP 98 Ca 0.21 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1mhc n ASP 98 Cb 1.27 0.21 0.00 0.00 -0.64 0.00 0.00 41.12 41.96 1mhc n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56