#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhe s ILE 1 N 0.00 3.47 0.19 1.12 1.01 -1.26 -5.13 121.20 120.59 1mhe s ILE 1 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1mhe s ILE 1 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1mhe s ILE 1 CO 0.00 0.59 -0.20 -1.10 0.00 0.00 0.00 174.94 174.23 1mhe s GLN 2 N -0.69 1.40 -0.11 2.79 -0.21 -1.26 -4.56 119.66 117.01 1mhe s GLN 2 Ca 0.10 -1.49 -0.06 0.00 0.02 0.00 0.00 55.36 53.93 1mhe s GLN 2 Cb -0.11 -1.54 0.04 0.00 1.00 0.00 0.00 33.01 32.40 1mhe s GLN 2 CO 0.01 0.32 0.27 1.03 -2.12 0.00 0.00 175.29 174.80 1mhe s ARG 3 N -2.85 0.25 0.19 2.91 0.52 0.42 -4.90 118.95 115.50 1mhe s ARG 3 Ca 0.19 0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 55.63 1mhe s ARG 3 Cb -0.06 -0.06 -0.08 0.00 0.52 0.00 0.00 34.95 35.27 1mhe s ARG 3 CO 0.08 -0.14 1.18 0.99 0.02 0.00 0.00 175.30 177.44 1mhe s THR 4 N 1.08 3.57 0.67 0.02 2.01 -1.26 -2.15 115.64 119.58 1mhe s THR 4 Ca -0.08 1.35 -0.15 0.00 0.31 0.00 0.00 61.69 63.13 1mhe s THR 4 Cb -0.09 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1mhe s THR 4 CO -0.08 0.23 1.11 -2.16 -0.69 0.00 0.00 174.62 173.03 1mhe s PRO 5 N -0.37 2.75 -0.17 4.92 0.04 -1.26 -4.44 135.00 136.47 1mhe s PRO 5 Ca 0.52 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1mhe s PRO 5 Cb -0.32 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1mhe s PRO 5 CO 0.37 -1.29 -0.14 0.15 0.04 0.00 0.00 177.00 176.13 1mhe s LYS 6 N -4.17 3.23 0.05 4.56 1.02 0.38 -4.91 119.74 119.91 1mhe s LYS 6 Ca 0.66 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1mhe s LYS 6 Cb -0.20 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1mhe s LYS 6 CO 0.43 -0.03 0.11 0.42 -0.92 0.00 0.00 175.35 175.36 1mhe s ILE 7 N 0.94 4.76 -0.22 2.17 1.01 -1.26 -2.11 121.20 126.49 1mhe s ILE 7 Ca -0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1mhe s ILE 7 Cb -0.15 -3.27 0.11 0.00 0.01 0.00 0.00 42.46 39.16 1mhe s ILE 7 CO -0.02 0.18 0.40 -1.10 0.00 0.00 0.00 174.94 174.41 1mhe s GLN 8 N -2.25 0.33 -0.19 2.79 -0.21 -1.02 -5.00 119.66 114.11 1mhe s GLN 8 Ca 0.29 0.79 -0.07 0.00 0.02 0.00 0.00 55.36 56.39 1mhe s GLN 8 Cb -0.12 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.80 1mhe s GLN 8 CO 0.21 -0.44 0.05 0.08 -2.12 0.00 0.00 175.29 173.08 1mhe s VAL 9 N 2.58 4.61 0.24 1.09 1.01 -1.26 -1.10 120.40 127.57 1mhe s VAL 9 Ca 0.06 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1mhe s VAL 9 Cb -0.14 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1mhe s VAL 9 CO -0.14 0.44 0.89 -0.72 0.00 0.00 0.00 175.10 175.57 1mhe s TYR 10 N 0.61 -0.03 0.13 5.22 1.13 0.15 -4.61 117.35 119.94 1mhe s TYR 10 Ca 0.03 -0.42 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 1mhe s TYR 10 Cb -0.13 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 1mhe s TYR 10 CO 0.02 -1.11 0.09 -1.54 -2.51 0.00 0.00 175.55 170.49 1mhe s SER 11 N -3.08 5.40 0.12 -0.18 1.04 -1.26 0.93 113.70 116.67 1mhe s SER 11 Ca 0.15 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.25 1mhe s SER 11 Cb -0.03 -1.39 -0.07 0.00 0.10 0.00 0.00 66.02 64.63 1mhe s SER 11 CO 0.06 0.11 1.75 -0.09 0.98 0.00 0.00 173.24 176.06 1mhe h ARG 12 N 2.79 0.16 -5.83 4.02 2.43 -1.56 -3.44 114.38 112.94 1mhe h ARG 12 Ca -0.47 -0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.08 1mhe h ARG 12 Cb 1.19 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.59 1mhe h ARG 12 CO 0.63 0.10 -0.59 -1.01 -1.51 0.00 0.00 179.97 177.59 1mhe s HIS 13 N -6.18 2.53 0.30 2.20 3.76 -1.26 -5.05 115.29 111.58 1mhe s HIS 13 Ca -0.13 -0.57 -0.30 0.00 -0.15 0.00 0.00 55.06 53.91 1mhe s HIS 13 Cb 0.08 -1.70 -0.11 0.00 1.11 0.00 0.00 32.58 31.97 1mhe s HIS 13 CO 0.68 0.42 1.51 -2.14 -0.85 0.00 0.00 174.74 174.36 1mhe s PRO 14 N -3.74 4.18 0.26 8.40 0.02 -1.26 -4.91 135.00 137.95 1mhe s PRO 14 Ca 0.36 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.55 1mhe s PRO 14 Cb 0.05 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 1mhe s PRO 14 CO 0.19 -0.52 1.43 0.00 -0.33 0.00 0.00 177.00 177.77 1mhe s ALA 15 N -0.28 3.61 -0.24 -1.55 0.00 -1.26 -5.01 121.76 117.03 1mhe s ALA 15 Ca 0.59 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.85 1mhe s ALA 15 Cb -0.45 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.25 1mhe s ALA 15 CO 0.49 -0.74 0.37 -2.00 0.00 0.00 0.00 175.76 173.88 1mhe s GLU 16 N -0.56 0.34 0.32 0.00 2.12 -1.26 -5.13 118.70 114.53 1mhe s GLU 16 Ca 0.58 0.54 -0.25 0.00 0.36 0.00 0.00 54.97 56.20 1mhe s GLU 16 Cb -0.42 -0.48 -0.15 0.00 0.26 0.00 0.00 34.13 33.34 1mhe s GLU 16 CO 0.45 -0.63 0.48 0.09 -0.54 0.00 0.00 175.26 175.12 1mhe n ASN 17 N 5.36 -1.22 0.00 -1.70 3.02 -1.26 -1.52 115.26 117.94 1mhe n ASN 17 Ca -0.04 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1mhe n ASN 17 Cb 0.50 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1mhe n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhe n GLY 18 N 1.93 2.14 3.76 7.41 0.00 -0.94 -4.97 105.19 114.52 1mhe n GLY 18 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1mhe n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mhe s LYS 19 N -0.01 4.03 0.56 1.61 -0.14 -0.58 -5.00 119.74 120.21 1mhe s LYS 19 Ca 0.00 -0.20 -0.21 0.00 -1.36 0.00 0.00 55.97 54.21 1mhe s LYS 19 Cb 0.00 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1mhe s LYS 19 CO 0.00 0.41 1.29 0.45 -0.76 0.00 0.00 175.35 176.73 1mhe s SER 20 N 0.05 5.27 0.00 2.83 0.15 -1.26 -4.23 113.70 116.51 1mhe s SER 20 Ca 0.10 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1mhe s SER 20 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1mhe s SER 20 CO -0.01 -1.55 0.00 -3.20 1.20 0.00 0.00 173.24 169.68 1mhe n ASN 21 N -1.21 0.00 -3.79 5.45 2.85 0.18 -5.00 115.26 113.73 1mhe n ASN 21 Ca 0.12 -0.05 -0.14 0.00 -0.11 0.00 0.00 54.58 54.39 1mhe n ASN 21 Cb 0.47 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.33 1mhe n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1mhe s PHE 22 N -2.70 0.02 -0.19 1.20 0.08 -1.26 -2.14 117.98 112.99 1mhe s PHE 22 Ca 0.00 0.10 -0.10 0.00 0.12 0.00 0.00 56.93 57.05 1mhe s PHE 22 Cb 0.00 -0.18 -0.05 0.00 -0.57 0.00 0.00 43.02 42.22 1mhe s PHE 22 CO 0.00 -0.07 0.14 -1.17 -0.10 0.00 0.00 175.22 174.03 1mhe s LEU 23 N 0.83 4.24 -0.01 -0.37 2.96 -0.07 -1.27 118.68 124.99 1mhe s LEU 23 Ca -0.07 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1mhe s LEU 23 Cb -0.10 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1mhe s LEU 23 CO -0.02 0.20 -0.23 0.20 -1.32 0.00 0.00 176.35 175.18 1mhe s ASN 24 N 0.19 2.66 -0.21 3.68 0.01 0.26 -1.68 114.94 119.85 1mhe s ASN 24 Ca 0.10 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 1mhe s ASN 24 Cb -0.11 -0.29 0.05 0.00 0.41 0.00 0.00 41.25 41.30 1mhe s ASN 24 CO -0.01 0.27 -0.09 0.00 -1.51 0.00 0.00 177.10 175.77 1mhe s TYR 26 N 1.41 3.17 -0.06 0.00 5.04 -0.26 -1.33 117.35 125.31 1mhe s TYR 26 Ca -0.02 -1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 53.20 1mhe s TYR 26 Cb -0.17 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 1mhe s TYR 26 CO -0.08 -0.69 0.03 0.14 -1.34 0.00 0.00 175.55 173.62 1mhe s VAL 27 N 1.39 4.50 0.38 3.14 -7.23 -0.66 -2.43 120.40 119.49 1mhe s VAL 27 Ca -0.00 -0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 1mhe s VAL 27 Cb -0.18 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1mhe s VAL 27 CO 0.00 0.53 0.76 -0.94 -0.31 0.00 0.00 175.10 175.14 1mhe s SER 28 N -1.16 0.07 -1.44 4.85 1.04 -0.90 -0.94 113.70 115.23 1mhe s SER 28 Ca 0.16 -1.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 1mhe s SER 28 Cb -0.12 0.84 0.05 0.00 0.10 0.00 0.00 66.02 66.89 1mhe s SER 28 CO 0.06 -1.66 0.68 0.61 0.98 0.00 0.00 173.24 173.91 1mhe n GLY 29 N -0.53 -0.51 3.41 7.32 0.00 -0.59 -0.47 105.19 113.82 1mhe n GLY 29 Ca -0.08 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1mhe n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhe s PHE 30 N -3.12 2.16 -0.28 1.61 -0.71 -1.19 -4.26 117.98 112.19 1mhe s PHE 30 Ca 0.43 -0.39 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 1mhe s PHE 30 Cb -0.21 -1.03 0.10 0.00 -1.21 0.00 0.00 43.02 40.67 1mhe s PHE 30 CO 0.53 0.51 0.83 -1.58 -1.34 0.00 0.00 175.22 174.18 1mhe s HIS 31 N -2.06 -0.74 0.94 3.49 2.46 -0.91 -1.36 115.29 117.11 1mhe s HIS 31 Ca 0.22 1.66 -0.16 0.00 0.47 0.00 0.00 55.06 57.26 1mhe s HIS 31 Cb -0.06 0.39 0.23 0.00 -0.13 0.00 0.00 32.58 33.00 1mhe s HIS 31 CO 0.10 -0.36 0.90 -0.35 -2.47 0.00 0.00 174.74 172.56 1mhe n PRO 32 N 3.05 -2.39 0.10 2.88 -0.04 -1.26 -0.43 135.00 136.91 1mhe n PRO 32 Ca -0.15 -1.43 -0.06 0.00 -0.04 0.00 0.00 63.50 61.82 1mhe n PRO 32 Cb 0.56 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1mhe n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mhe h SER 33 N -2.18 0.10 -2.10 3.54 4.64 -2.00 -3.45 113.55 112.10 1mhe h SER 33 Ca -0.33 -0.08 -0.60 0.00 -0.47 0.00 0.00 61.79 60.31 1mhe h SER 33 Cb 0.98 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1mhe h SER 33 CO 0.22 0.86 1.09 0.47 -0.87 0.00 0.00 176.83 178.60 1mhe n ASP 34 N -3.64 3.51 -3.63 4.97 8.00 -1.26 -4.93 116.55 119.58 1mhe n ASP 34 Ca -0.02 0.98 -0.16 0.00 0.71 0.00 0.00 54.79 56.30 1mhe n ASP 34 Cb 0.77 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.39 1mhe n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1mhe s ILE 35 N 3.77 0.02 -0.18 0.53 2.07 -1.26 -4.63 121.20 121.52 1mhe s ILE 35 Ca 0.91 -0.15 -0.00 0.00 -1.41 0.00 0.00 60.65 60.00 1mhe s ILE 35 Cb -0.66 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.10 1mhe s ILE 35 CO 0.49 -0.08 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.69 1mhe s GLU 36 N -0.90 3.19 -0.06 3.50 2.02 -0.26 -4.99 118.70 121.20 1mhe s GLU 36 Ca -0.09 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.20 1mhe s GLU 36 Cb -0.02 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 1mhe s GLU 36 CO 0.06 -0.10 -0.21 0.08 0.02 0.00 0.00 175.26 175.12 1mhe s VAL 37 N 1.10 1.74 -0.01 2.63 1.01 -1.26 -0.36 120.40 125.25 1mhe s VAL 37 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1mhe s VAL 37 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1mhe s VAL 37 CO -0.04 0.49 -0.00 -1.81 0.00 0.00 0.00 175.10 173.73 1mhe s ASP 38 N 0.04 0.24 -0.15 3.32 1.01 0.12 -4.97 116.67 116.28 1mhe s ASP 38 Ca -0.07 -0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.09 1mhe s ASP 38 Cb -0.14 -0.09 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 1mhe s ASP 38 CO 0.04 -0.04 0.15 -0.76 0.21 0.00 0.00 175.17 174.77 1mhe s LEU 39 N 0.48 4.30 0.07 1.23 1.43 -1.26 0.44 118.68 125.36 1mhe s LEU 39 Ca -0.04 0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.53 1mhe s LEU 39 Cb -0.07 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1mhe s LEU 39 CO -0.01 0.29 -0.25 -0.76 0.23 0.00 0.00 176.35 175.85 1mhe s LEU 40 N -0.32 2.21 -0.29 1.79 1.43 0.31 -0.63 118.68 123.19 1mhe s LEU 40 Ca 0.12 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1mhe s LEU 40 Cb -0.12 -1.16 0.09 0.00 0.03 0.00 0.00 46.19 45.03 1mhe s LEU 40 CO 0.02 0.20 0.03 -0.75 0.23 0.00 0.00 176.35 176.08 1mhe s LYS 41 N -1.44 1.19 -1.35 1.70 2.20 0.54 -1.89 119.74 120.69 1mhe s LYS 41 Ca 0.11 -1.22 -0.03 0.00 -0.36 0.00 0.00 55.97 54.47 1mhe s LYS 41 Cb -0.10 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 1mhe s LYS 41 CO 0.03 -0.83 0.76 0.09 -0.36 0.00 0.00 175.35 175.04 1mhe n ASN 42 N 4.65 -1.93 0.00 1.43 4.13 0.52 -0.56 115.26 123.50 1mhe n ASN 42 Ca -0.04 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.41 1mhe n ASN 42 Cb 0.43 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.62 1mhe n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mhe n GLY 43 N -1.60 2.77 3.75 7.41 0.00 -1.26 -4.98 105.19 111.28 1mhe n GLY 43 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1mhe n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mhe s GLU 44 N -0.06 4.60 -0.42 1.61 2.56 0.28 -4.97 118.70 122.30 1mhe s GLU 44 Ca 0.00 1.80 -0.29 0.00 0.00 0.00 0.00 54.97 56.48 1mhe s GLU 44 Cb 0.00 -3.22 0.02 0.00 2.00 0.00 0.00 34.13 32.93 1mhe s GLU 44 CO 0.00 0.12 1.10 0.50 -0.56 0.00 0.00 175.26 176.42 1mhe s ARG 45 N -0.96 3.83 0.46 4.30 3.52 -1.26 -0.34 118.95 128.50 1mhe s ARG 45 Ca 0.47 0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 56.54 1mhe s ARG 45 Cb -0.31 -3.85 -0.07 0.00 -1.56 0.00 0.00 34.95 29.16 1mhe s ARG 45 CO 0.39 -1.20 1.27 0.42 -0.81 0.00 0.00 175.30 175.37 1mhe s ILE 46 N 4.12 2.64 0.46 4.11 1.01 0.20 -4.95 121.20 128.79 1mhe s ILE 46 Ca 0.46 0.51 0.06 0.00 0.00 0.00 0.00 60.65 61.68 1mhe s ILE 46 Cb -0.09 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1mhe s ILE 46 CO 0.26 0.03 0.20 -1.61 0.00 0.00 0.00 174.94 173.82 1mhe s GLU 47 N -2.57 2.23 -1.04 2.79 2.02 -1.26 -4.67 118.70 116.19 1mhe s GLU 47 Ca 0.63 -1.99 -0.07 0.00 0.02 0.00 0.00 54.97 53.56 1mhe s GLU 47 Cb -0.35 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.89 1mhe s GLU 47 CO 0.44 -0.29 0.89 1.63 0.02 0.00 0.00 175.26 177.96 1mhe n LYS 48 N -1.37 -2.09 -4.63 1.61 5.02 -1.26 -5.01 118.16 110.42 1mhe n LYS 48 Ca -0.05 0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 56.78 1mhe n LYS 48 Cb 0.65 -5.65 -0.15 0.00 -0.02 0.00 0.00 35.03 29.86 1mhe n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mhe s VAL 49 N -3.37 2.89 0.61 -0.18 1.01 -1.26 -4.87 120.40 115.23 1mhe s VAL 49 Ca 0.43 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1mhe s VAL 49 Cb -0.07 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.16 1mhe s VAL 49 CO 0.75 0.51 0.86 -1.61 0.00 0.00 0.00 175.10 175.61 1mhe s GLU 50 N 0.61 2.23 -0.12 2.72 2.02 -0.75 -4.90 118.70 120.51 1mhe s GLU 50 Ca -0.08 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 1mhe s GLU 50 Cb -0.16 -2.43 0.07 0.00 0.10 0.00 0.00 34.13 31.71 1mhe s GLU 50 CO 0.03 -0.98 0.71 -3.38 0.02 0.00 0.00 175.26 171.65 1mhe s HIS 51 N -2.90 -0.69 1.24 1.61 -3.43 -1.26 -1.42 115.29 108.44 1mhe s HIS 51 Ca 0.61 1.36 -0.17 0.00 -0.80 0.00 0.00 55.06 56.06 1mhe s HIS 51 Cb -0.08 0.37 0.30 0.00 -1.43 0.00 0.00 32.58 31.74 1mhe s HIS 51 CO 0.41 -0.53 1.01 -1.54 -2.00 0.00 0.00 174.74 172.09 1mhe s SER 52 N -0.68 0.44 0.30 7.38 1.04 -0.16 -4.95 113.70 117.07 1mhe s SER 52 Ca -0.07 1.09 -0.27 0.00 0.48 0.00 0.00 55.95 57.18 1mhe s SER 52 Cb -0.02 -1.64 -0.10 0.00 0.10 0.00 0.00 66.02 64.36 1mhe s SER 52 CO 0.07 -4.47 0.96 -1.81 0.98 0.00 0.00 173.24 168.96 1mhe s ASP 53 N -3.07 7.39 0.34 7.02 1.01 -1.26 -4.72 116.67 123.37 1mhe s ASP 53 Ca 0.68 1.91 -0.29 0.00 0.71 0.00 0.00 52.55 55.56 1mhe s ASP 53 Cb -0.18 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.05 1mhe s ASP 53 CO 0.60 -0.04 1.53 -0.11 0.21 0.00 0.00 175.17 177.36 1mhe n LEU 54 N 0.82 4.52 -3.83 1.23 7.94 -1.26 -4.90 117.00 121.51 1mhe n LEU 54 Ca 0.01 1.19 -0.08 0.00 -1.11 0.00 0.00 56.01 56.02 1mhe n LEU 54 Cb 0.49 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1mhe n LEU 54 CO 0.47 0.12 0.53 -0.55 -1.11 0.00 0.00 177.39 176.84 1mhe s SER 55 N 0.15 -0.11 0.29 1.96 0.15 -1.24 -5.05 113.70 109.84 1mhe s SER 55 Ca 0.58 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 1mhe s SER 55 Cb -0.49 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1mhe s SER 55 CO 0.57 -1.49 0.37 0.72 1.20 0.00 0.00 173.24 174.61 1mhe s PHE 56 N -3.02 1.02 0.49 3.44 -0.12 -1.26 -1.62 117.98 116.90 1mhe s PHE 56 Ca 0.14 -1.23 0.05 0.00 -0.05 0.00 0.00 56.93 55.83 1mhe s PHE 56 Cb -0.05 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1mhe s PHE 56 CO 0.09 -0.96 0.18 -1.54 -0.05 0.00 0.00 175.22 172.95 1mhe s SER 57 N -3.19 4.37 0.51 1.98 1.04 -0.18 -4.96 113.70 113.26 1mhe s SER 57 Ca 0.32 -1.34 0.41 0.00 0.48 0.00 0.00 55.95 55.83 1mhe s SER 57 Cb 0.02 0.14 1.61 0.00 0.10 0.00 0.00 66.02 67.88 1mhe s SER 57 CO 0.17 -0.82 1.60 0.11 0.98 0.00 0.00 173.24 175.28 1mhe h LYS 58 N 1.20 0.02 -0.70 4.02 1.57 -2.03 0.89 116.57 121.54 1mhe h LYS 58 Ca -0.41 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1mhe h LYS 58 Cb 1.29 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1mhe h LYS 58 CO 0.68 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.17 1mhe n ASP 59 N -4.29 4.01 0.00 0.86 5.75 -1.26 -4.91 116.55 116.71 1mhe n ASP 59 Ca 0.41 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1mhe n ASP 59 Cb 1.75 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 1mhe n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1mhe n TRP 60 N 0.48 0.00 -2.83 2.11 7.02 0.31 -5.00 117.44 119.53 1mhe n TRP 60 Ca 0.18 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.33 1mhe n TRP 60 Cb 0.84 -0.57 -0.07 0.00 -2.42 0.00 0.00 31.31 29.09 1mhe n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1mhe s SER 61 N -2.76 7.01 0.63 -0.99 1.04 -1.25 -4.69 113.70 112.70 1mhe s SER 61 Ca 0.00 1.70 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 1mhe s SER 61 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1mhe s SER 61 CO 0.00 -0.29 0.94 -0.36 0.98 0.00 0.00 173.24 174.50 1mhe s PHE 62 N -2.06 3.12 -0.25 5.02 0.08 -0.46 -1.01 117.98 122.41 1mhe s PHE 62 Ca 0.59 0.55 -0.21 0.00 0.12 0.00 0.00 56.93 57.99 1mhe s PHE 62 Cb -0.11 -2.90 0.07 0.00 -0.57 0.00 0.00 43.02 39.50 1mhe s PHE 62 CO 0.15 -1.04 0.65 1.52 -0.10 0.00 0.00 175.22 176.41 1mhe s TYR 63 N -3.08 -0.79 0.08 0.36 -0.85 -0.64 -1.54 117.35 110.89 1mhe s TYR 63 Ca 0.56 1.83 0.00 0.00 -0.52 0.00 0.00 57.07 58.94 1mhe s TYR 63 Cb -0.11 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1mhe s TYR 63 CO 0.45 -0.39 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.53 1mhe s LEU 64 N 0.69 2.47 -0.16 -3.49 1.43 -0.12 -3.73 118.68 115.77 1mhe s LEU 64 Ca -0.03 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1mhe s LEU 64 Cb -0.05 0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.27 1mhe s LEU 64 CO -0.04 -0.53 -0.04 -0.22 0.23 0.00 0.00 176.35 175.74 1mhe s LEU 65 N -2.99 1.48 0.02 1.79 2.96 -1.26 -1.66 118.68 119.02 1mhe s LEU 65 Ca 0.10 -0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1mhe s LEU 65 Cb 0.07 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1mhe s LEU 65 CO -0.07 -0.19 0.12 -0.31 -1.32 0.00 0.00 176.35 174.59 1mhe s TYR 66 N 1.68 3.37 0.02 5.38 1.51 -0.44 -0.99 117.35 127.88 1mhe s TYR 66 Ca 0.01 0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 56.03 1mhe s TYR 66 Cb -0.15 -1.74 0.09 0.00 -0.11 0.00 0.00 41.96 40.05 1mhe s TYR 66 CO -0.08 0.58 0.80 1.52 -1.11 0.00 0.00 175.55 177.27 1mhe s TYR 67 N -1.30 -0.43 0.23 2.71 1.13 -0.51 -0.71 117.35 118.47 1mhe s TYR 67 Ca 0.27 0.38 -0.12 0.00 -1.41 0.00 0.00 57.07 56.19 1mhe s TYR 67 Cb -0.12 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.25 1mhe s TYR 67 CO 0.18 -0.61 0.43 -0.08 -2.51 0.00 0.00 175.55 172.96 1mhe s THR 68 N -2.88 0.01 0.10 -3.49 -1.32 -0.68 -1.81 115.64 105.57 1mhe s THR 68 Ca 0.02 -1.41 -0.17 0.00 -1.21 0.00 0.00 61.69 58.92 1mhe s THR 68 Cb -0.01 -2.13 -0.07 0.00 -1.51 0.00 0.00 72.50 68.78 1mhe s THR 68 CO -0.07 -0.05 0.54 -0.70 -2.21 0.00 0.00 174.62 172.14 1mhe s GLU 69 N -4.01 4.08 0.21 7.08 2.12 -1.26 -0.89 118.70 126.02 1mhe s GLU 69 Ca 0.22 0.60 -0.21 0.00 0.36 0.00 0.00 54.97 55.94 1mhe s GLU 69 Cb 0.00 -3.10 0.04 0.00 0.26 0.00 0.00 34.13 31.33 1mhe s GLU 69 CO 0.07 0.58 0.61 -0.59 -0.54 0.00 0.00 175.26 175.39 1mhe s PHE 70 N -1.26 -0.31 -0.27 5.30 -0.71 -0.91 -4.85 117.98 114.97 1mhe s PHE 70 Ca 0.32 -0.01 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1mhe s PHE 70 Cb -0.17 0.55 0.08 0.00 -1.21 0.00 0.00 43.02 42.27 1mhe s PHE 70 CO 0.18 -0.98 0.01 0.99 -1.34 0.00 0.00 175.22 174.08 1mhe s THR 71 N -3.84 1.39 0.75 -4.49 2.01 -1.26 -0.65 115.64 109.55 1mhe s THR 71 Ca 0.06 -1.38 -0.15 0.00 0.31 0.00 0.00 61.69 60.53 1mhe s THR 71 Cb -0.02 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1mhe s THR 71 CO -0.04 -0.33 0.94 -0.81 -0.69 0.00 0.00 174.62 173.68 1mhe n PRO 72 N 4.68 0.40 -3.63 4.92 -0.04 -1.26 -4.80 135.00 135.28 1mhe n PRO 72 Ca -0.07 0.19 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1mhe n PRO 72 Cb 0.43 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1mhe n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1mhe s THR 73 N -1.90 0.04 0.12 0.52 2.01 -1.26 -2.22 115.64 112.94 1mhe s THR 73 Ca 0.72 -0.29 0.34 0.00 0.31 0.00 0.00 61.69 62.77 1mhe s THR 73 Cb -0.33 -0.89 0.39 0.00 0.01 0.00 0.00 72.50 71.67 1mhe s THR 73 CO 0.52 -0.16 2.01 -0.33 -0.69 0.00 0.00 174.62 175.97 1mhe h GLU 74 N 3.13 0.00 0.06 4.92 5.08 -2.00 -3.21 114.58 122.56 1mhe h GLU 74 Ca -0.30 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.70 1mhe h GLU 74 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1mhe h GLU 74 CO 0.41 0.00 -2.07 0.36 -1.00 0.00 0.00 179.01 176.71 1mhe n LYS 75 N -3.00 0.68 -1.96 2.33 2.85 -1.26 -4.94 118.16 112.86 1mhe n LYS 75 Ca 0.00 0.28 -0.41 0.00 -1.05 0.00 0.00 58.31 57.13 1mhe n LYS 75 Cb 0.26 -1.64 -0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1mhe n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mhe s ASP 76 N -6.92 6.58 -0.12 -5.58 1.01 -1.21 -5.02 116.67 105.40 1mhe s ASP 76 Ca -0.29 2.78 0.03 0.00 0.71 0.00 0.00 52.55 55.77 1mhe s ASP 76 Cb 0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1mhe s ASP 76 CO 0.66 -0.73 -0.21 -0.70 0.21 0.00 0.00 175.17 174.40 1mhe s GLU 77 N -0.90 3.10 0.11 8.23 2.12 -1.26 -4.67 118.70 125.43 1mhe s GLU 77 Ca 0.57 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 55.15 1mhe s GLU 77 Cb -0.43 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1mhe s GLU 77 CO 0.49 0.10 -0.12 0.71 -0.54 0.00 0.00 175.26 175.89 1mhe s TYR 78 N 0.57 2.68 0.21 5.30 2.02 -1.26 -0.36 117.35 126.50 1mhe s TYR 78 Ca -0.12 -0.19 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 1mhe s TYR 78 Cb -0.17 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.00 1mhe s TYR 78 CO 0.04 0.42 0.49 0.00 -1.57 0.00 0.00 175.55 174.92 1mhe s ALA 79 N -1.20 -0.64 -0.07 3.71 0.00 -0.79 -0.36 121.76 122.41 1mhe s ALA 79 Ca 0.20 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1mhe s ALA 79 Cb -0.11 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1mhe s ALA 79 CO 0.13 -0.81 -0.18 0.00 0.00 0.00 0.00 175.76 174.90 1mhe s ARG 81 N -0.26 2.78 -0.03 0.00 3.52 0.17 -1.85 118.95 123.28 1mhe s ARG 81 Ca 0.01 -0.82 0.07 0.00 -0.13 0.00 0.00 55.73 54.85 1mhe s ARG 81 Cb -0.13 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 1mhe s ARG 81 CO 0.03 -0.25 -0.23 0.08 -0.81 0.00 0.00 175.30 174.12 1mhe s VAL 82 N 1.31 1.85 -0.04 7.11 1.01 -0.17 0.16 120.40 131.63 1mhe s VAL 82 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1mhe s VAL 82 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1mhe s VAL 82 CO -0.12 0.52 -0.07 0.21 0.00 0.00 0.00 175.10 175.64 1mhe s ASN 83 N -0.40 1.12 0.07 3.32 2.47 0.52 -0.81 114.94 121.23 1mhe s ASN 83 Ca 0.05 -0.17 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 1mhe s ASN 83 Cb -0.10 -0.43 -0.01 0.00 -1.45 0.00 0.00 41.25 39.27 1mhe s ASN 83 CO 0.00 0.01 0.16 -2.28 -3.72 0.00 0.00 177.10 171.28 1mhe s HIS 84 N 0.53 0.18 0.40 0.43 5.65 -1.26 -1.10 115.29 120.11 1mhe s HIS 84 Ca -0.08 -0.57 0.08 0.00 0.25 0.00 0.00 55.06 54.74 1mhe s HIS 84 Cb -0.12 -0.09 0.85 0.00 -1.18 0.00 0.00 32.58 32.04 1mhe s HIS 84 CO 0.01 -0.49 2.02 -0.24 -0.65 0.00 0.00 174.74 175.39 1mhe h VAL 85 N 2.99 1.05 0.00 0.89 3.04 -1.95 0.29 116.25 122.56 1mhe h VAL 85 Ca -0.34 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1mhe h VAL 85 Cb 1.19 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1mhe h VAL 85 CO 0.55 0.11 0.00 0.35 -1.01 0.00 0.00 177.57 177.57 1mhe n THR 86 N -4.47 0.52 -3.57 3.17 -2.24 -1.26 -4.68 114.28 101.75 1mhe n THR 86 Ca 0.06 0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 1mhe n THR 86 Cb 0.15 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 1mhe n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1mhe s LEU 87 N -2.64 4.30 0.28 3.22 1.43 0.10 -4.95 118.68 120.42 1mhe s LEU 87 Ca 0.16 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1mhe s LEU 87 Cb 0.12 -2.38 0.41 0.00 0.03 0.00 0.00 46.19 44.37 1mhe s LEU 87 CO 0.28 0.17 1.73 0.77 0.23 0.00 0.00 176.35 179.53 1mhe h SER 88 N 6.15 0.53 -4.58 2.29 4.64 -1.83 -3.45 113.55 117.31 1mhe h SER 88 Ca -0.44 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 60.63 1mhe h SER 88 Cb 1.18 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.92 1mhe h SER 88 CO 0.71 0.74 0.01 0.00 -0.87 0.00 0.00 176.83 177.43 1mhe s GLN 89 N -4.60 0.83 -0.05 4.77 -2.07 -1.26 -5.13 119.66 112.16 1mhe s GLN 89 Ca -0.07 0.39 -0.40 0.00 -1.82 0.00 0.00 55.36 53.46 1mhe s GLN 89 Cb 0.14 0.39 -0.19 0.00 -1.09 0.00 0.00 33.01 32.27 1mhe s GLN 89 CO 0.79 -0.20 1.26 -0.35 -1.32 0.00 0.00 175.29 175.47 1mhe n PRO 90 N 1.72 0.44 -3.64 9.60 -0.04 -1.26 -4.93 135.00 136.88 1mhe n PRO 90 Ca -0.17 0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 63.07 1mhe n PRO 90 Cb 0.56 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1mhe n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1mhe s LYS 91 N 0.72 3.82 -0.09 0.54 2.20 0.01 -4.92 119.74 122.03 1mhe s LYS 91 Ca 0.91 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 56.71 1mhe s LYS 91 Cb -1.18 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1mhe s LYS 91 CO 0.57 0.63 -0.19 0.42 -0.36 0.00 0.00 175.35 176.42 1mhe s ILE 92 N -0.73 1.68 -0.08 5.43 1.01 -1.26 -1.00 121.20 126.24 1mhe s ILE 92 Ca 0.19 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1mhe s ILE 92 Cb -0.14 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1mhe s ILE 92 CO 0.08 0.48 -0.09 0.54 0.00 0.00 0.00 174.94 175.95 1mhe s VAL 93 N 0.54 0.97 0.18 2.92 0.11 -0.77 -4.98 120.40 119.37 1mhe s VAL 93 Ca -0.16 -0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1mhe s VAL 93 Cb -0.17 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 1mhe s VAL 93 CO 0.06 0.34 0.44 -1.59 -3.33 0.00 0.00 175.10 171.02 1mhe s LYS 94 N 1.13 3.68 0.22 1.54 -2.85 -1.26 -0.54 119.74 121.66 1mhe s LYS 94 Ca -0.06 0.04 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 1mhe s LYS 94 Cb -0.14 -2.77 -0.09 0.00 -2.06 0.00 0.00 37.83 32.76 1mhe s LYS 94 CO -0.02 0.40 1.39 -0.46 0.10 0.00 0.00 175.35 176.76 1mhe s TRP 95 N -1.74 3.12 -0.23 1.78 -0.00 0.51 -4.94 118.94 117.44 1mhe s TRP 95 Ca 0.43 1.10 0.01 0.00 -0.00 0.00 0.00 56.10 57.64 1mhe s TRP 95 Cb -0.12 -3.73 0.06 0.00 -0.00 0.00 0.00 33.47 29.68 1mhe s TRP 95 CO 0.24 -2.34 -0.07 0.34 -0.00 0.00 0.00 176.95 175.11 1mhe s ASP 96 N 0.38 3.87 0.01 5.86 -1.08 -1.26 -4.79 116.67 119.65 1mhe s ASP 96 Ca 0.58 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 1mhe s ASP 96 Cb -0.40 -1.24 0.02 0.00 -1.46 0.00 0.00 42.92 39.85 1mhe s ASP 96 CO 0.41 -0.21 0.97 -2.11 0.52 0.00 0.00 175.17 174.74 1mhe n ARG 97 N 4.64 0.00 0.00 4.34 1.85 -1.26 -0.86 116.66 125.37 1mhe n ARG 97 Ca -0.13 0.46 0.13 0.00 -1.00 0.00 0.00 57.85 57.31 1mhe n ARG 97 Cb 0.44 -1.55 0.32 0.00 -1.05 0.00 0.00 32.46 30.62 1mhe n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1mhe n ASP 98 N -1.47 1.39 0.00 2.89 8.00 -1.26 -4.71 116.55 121.38 1mhe n ASP 98 Ca -0.00 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1mhe n ASP 98 Cb 0.04 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1mhe n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04