#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 3.25 0.18 1.12 1.01 -1.26 -5.13 121.20 120.37 1mhe s ILE 1 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1mhe s ILE 1 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1mhe s ILE 1 CO 0.00 0.59 -0.21 -1.10 0.00 0.00 0.00 174.94 174.22 1mhe s GLN 2 N -0.70 1.38 -0.10 2.79 -0.21 -1.26 -4.55 119.66 117.00 1mhe s GLN 2 Ca 0.11 -1.46 -0.05 0.00 0.02 0.00 0.00 55.36 53.98 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 0.24 1.03 -2.12 0.00 0.00 175.29 174.78 1mhe s ARG 3 N -2.74 0.21 0.25 2.91 0.52 0.50 -4.91 118.95 115.69 1mhe s ARG 3 Ca 0.18 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.60 1mhe s ARG 3 Cb -0.07 -0.10 -0.09 0.00 0.52 0.00 0.00 34.95 35.21 1mhe s ARG 3 CO 0.08 -0.15 1.18 0.99 0.02 0.00 0.00 175.30 177.42 1mhe s THR 4 N 1.16 3.36 0.61 0.02 2.01 -1.26 -2.03 115.64 119.52 1mhe s THR 4 Ca -0.08 1.27 -0.16 0.00 0.31 0.00 0.00 61.69 63.02 1mhe s THR 4 Cb -0.10 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1mhe s THR 4 CO -0.08 0.26 1.08 -2.16 -0.69 0.00 0.00 174.62 173.03 1mhe s PRO 5 N -0.97 3.12 -0.17 4.92 0.04 -1.26 -4.36 135.00 136.31 1mhe s PRO 5 Ca 0.49 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1mhe s PRO 5 Cb -0.34 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1mhe s PRO 5 CO 0.41 -0.98 -0.13 0.15 0.04 0.00 0.00 177.00 176.49 1mhe s LYS 6 N -4.01 3.22 0.08 4.56 1.02 0.31 -4.91 119.74 120.00 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 -0.18 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1mhe s LYS 6 CO 0.38 -0.07 0.13 0.42 -0.92 0.00 0.00 175.35 175.29 1mhe s ILE 7 N 1.05 4.82 -0.24 2.17 1.01 -1.26 -1.99 121.20 126.76 1mhe s ILE 7 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1mhe s ILE 7 Cb -0.15 -3.35 0.13 0.00 0.01 0.00 0.00 42.46 39.10 1mhe s ILE 7 CO -0.03 0.10 0.44 -1.10 0.00 0.00 0.00 174.94 174.35 1mhe s GLN 8 N -2.52 0.38 -0.18 2.79 -0.21 -1.01 -5.00 119.66 113.92 1mhe s GLN 8 Ca 0.31 0.83 -0.08 0.00 0.02 0.00 0.00 55.36 56.45 1mhe s GLN 8 Cb -0.12 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.87 1mhe s GLN 8 CO 0.24 -0.48 0.07 0.08 -2.12 0.00 0.00 175.29 173.08 1mhe s VAL 9 N 2.64 4.86 0.16 1.09 1.01 -1.26 -1.40 120.40 127.50 1mhe s VAL 9 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1mhe s VAL 9 Cb -0.14 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.12 1mhe s VAL 9 CO -0.16 0.47 1.00 -0.72 0.00 0.00 0.00 175.10 175.69 1mhe s TYR 10 N 0.29 -0.06 0.15 5.22 1.13 -0.05 -4.62 117.35 119.40 1mhe s TYR 10 Ca 0.04 -0.26 0.04 0.00 -1.41 0.00 0.00 57.07 55.48 1mhe s TYR 10 Cb -0.12 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1mhe s TYR 10 CO -0.00 -0.83 0.17 -1.54 -2.51 0.00 0.00 175.55 170.84 1mhe s SER 11 N -3.07 5.75 0.11 -0.18 1.04 -1.26 0.73 113.70 116.82 1mhe s SER 11 Ca 0.15 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1mhe s SER 11 Cb -0.01 -1.58 -0.09 0.00 0.10 0.00 0.00 66.02 64.44 1mhe s SER 11 CO 0.03 0.08 1.77 -0.09 0.98 0.00 0.00 173.24 176.01 1mhe h ARG 12 N 2.48 0.19 -5.75 4.02 2.43 -1.52 -3.44 114.38 112.78 1mhe h ARG 12 Ca -0.48 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.07 1mhe h ARG 12 Cb 1.19 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 1mhe h ARG 12 CO 0.65 0.12 -0.57 -1.01 -1.51 0.00 0.00 179.97 177.65 1mhe s HIS 13 N -6.18 2.54 0.30 2.20 3.76 -1.26 -5.05 115.29 111.59 1mhe s HIS 13 Ca -0.13 -0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 53.86 1mhe s HIS 13 Cb 0.08 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 1mhe s HIS 13 CO 0.68 0.38 1.43 -2.14 -0.85 0.00 0.00 174.74 174.25 1mhe s PRO 14 N -3.76 4.25 0.24 8.40 0.02 -1.26 -4.92 135.00 137.96 1mhe s PRO 14 Ca 0.37 2.36 -0.30 0.00 0.02 0.00 0.00 61.00 63.44 1mhe s PRO 14 Cb 0.08 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 1mhe s PRO 14 CO 0.19 -0.40 1.44 0.00 -0.33 0.00 0.00 177.00 177.90 1mhe s ALA 15 N -0.47 3.63 -0.24 -1.55 0.00 -1.26 -5.01 121.76 116.86 1mhe s ALA 15 Ca 0.56 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 1mhe s ALA 15 Cb -0.43 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.26 1mhe s ALA 15 CO 0.49 -0.73 0.37 -2.00 0.00 0.00 0.00 175.76 173.89 1mhe s GLU 16 N -0.22 0.33 0.26 0.00 2.12 -1.26 -5.13 118.70 114.80 1mhe s GLU 16 Ca 0.60 0.54 -0.27 0.00 0.36 0.00 0.00 54.97 56.21 1mhe s GLU 16 Cb -0.42 -0.48 -0.16 0.00 0.26 0.00 0.00 34.13 33.33 1mhe s GLU 16 CO 0.42 -0.62 0.55 0.09 -0.54 0.00 0.00 175.26 175.16 1mhe n ASN 17 N 5.36 -0.99 0.00 -1.70 3.02 -1.26 -1.54 115.26 118.16 1mhe n ASN 17 Ca -0.04 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 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 1.89 2.37 3.76 7.41 0.00 -0.92 -4.98 105.19 114.72 1mhe n GLY 18 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.00 4.03 0.54 1.61 -0.14 -0.59 -5.00 119.74 120.20 1mhe s LYS 19 Ca 0.00 -0.15 -0.21 0.00 -1.36 0.00 0.00 55.97 54.25 1mhe s LYS 19 Cb 0.00 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.73 1mhe s LYS 19 CO 0.00 0.40 1.30 0.45 -0.76 0.00 0.00 175.35 176.74 1mhe s SER 20 N 0.05 5.38 0.00 2.83 0.15 -1.26 -4.26 113.70 116.60 1mhe s SER 20 Ca 0.11 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.38 1mhe s SER 20 Cb -0.12 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1mhe s SER 20 CO 0.00 -1.48 0.00 -3.20 1.20 0.00 0.00 173.24 169.76 1mhe n ASN 21 N -1.06 0.00 -3.78 5.45 2.85 0.45 -5.00 115.26 114.17 1mhe n ASN 21 Ca 0.11 -0.01 -0.14 0.00 -0.11 0.00 0.00 54.58 54.42 1mhe n ASN 21 Cb 0.46 0.00 -0.15 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 -2.51 -0.04 -0.17 1.20 0.08 -1.26 -2.15 117.98 113.14 1mhe s PHE 22 Ca 0.00 0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 1mhe s PHE 22 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1mhe s PHE 22 CO 0.00 -0.10 0.18 -1.17 -0.10 0.00 0.00 175.22 174.04 1mhe s LEU 23 N 0.90 4.26 0.00 -0.37 2.96 -0.11 -1.18 118.68 125.14 1mhe s LEU 23 Ca -0.07 0.37 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1mhe s LEU 23 Cb -0.10 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1mhe s LEU 23 CO -0.03 0.21 -0.21 0.20 -1.32 0.00 0.00 176.35 175.20 1mhe s ASN 24 N 0.05 2.43 -0.19 3.68 0.01 0.22 -1.71 114.94 119.44 1mhe s ASN 24 Ca 0.12 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1mhe s ASN 24 Cb -0.12 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.34 1mhe s ASN 24 CO 0.01 0.22 -0.08 0.00 -1.51 0.00 0.00 177.10 175.74 1mhe s TYR 26 N 1.49 3.20 -0.05 0.00 5.04 -0.49 -1.14 117.35 125.39 1mhe s TYR 26 Ca -0.00 -1.59 -0.01 0.00 -2.44 0.00 0.00 57.07 53.02 1mhe s TYR 26 Cb -0.16 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 1mhe s TYR 26 CO -0.08 -0.74 0.02 0.14 -1.34 0.00 0.00 175.55 173.55 1mhe s VAL 27 N 1.33 4.42 0.39 3.14 -7.23 -0.65 -2.41 120.40 119.40 1mhe s VAL 27 Ca -0.02 -0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 1mhe s VAL 27 Cb -0.19 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.89 1mhe s VAL 27 CO -0.01 0.51 0.76 -1.54 -0.31 0.00 0.00 175.10 174.51 1mhe n SER 28 N 1.78 -2.20 -3.43 4.85 3.41 -0.84 -0.85 113.62 116.34 1mhe n SER 28 Ca -0.17 -2.66 -0.25 0.00 -0.26 0.00 0.00 58.87 55.54 1mhe n SER 28 Cb 0.53 3.70 0.01 0.00 -0.26 0.00 0.00 64.21 68.20 1mhe n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mhe n GLY 29 N -0.55 -0.50 3.43 5.00 0.00 -0.66 -0.53 105.19 111.38 1mhe n GLY 29 Ca -0.08 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.08 2.30 -0.28 1.61 -0.71 -1.20 -4.24 117.98 112.38 1mhe s PHE 30 Ca 0.45 -0.36 -0.20 0.00 -1.04 0.00 0.00 56.93 55.78 1mhe s PHE 30 Cb -0.23 -1.12 0.09 0.00 -1.21 0.00 0.00 43.02 40.55 1mhe s PHE 30 CO 0.55 0.52 0.78 -1.58 -1.34 0.00 0.00 175.22 174.15 1mhe s HIS 31 N -1.76 -0.84 1.09 3.49 2.46 -0.86 -1.29 115.29 117.58 1mhe s HIS 31 Ca 0.22 1.82 -0.18 0.00 0.47 0.00 0.00 55.06 57.39 1mhe s HIS 31 Cb -0.08 0.45 0.26 0.00 -0.13 0.00 0.00 32.58 33.09 1mhe s HIS 31 CO 0.10 -0.41 1.13 -0.35 -2.47 0.00 0.00 174.74 172.74 1mhe n PRO 32 N 3.45 -2.41 0.13 2.88 -0.04 -1.26 -0.37 135.00 137.38 1mhe n PRO 32 Ca -0.17 -1.78 -0.01 0.00 -0.04 0.00 0.00 63.50 61.50 1mhe n PRO 32 Cb 0.57 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.30 0.00 -2.14 3.54 4.64 -2.00 -3.45 113.55 111.84 1mhe h SER 33 Ca -0.40 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.33 1mhe h SER 33 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1mhe h SER 33 CO 0.27 0.67 1.12 0.47 -0.87 0.00 0.00 176.83 178.49 1mhe n ASP 34 N -3.59 3.64 -3.66 4.97 8.00 -1.26 -4.93 116.55 119.71 1mhe n ASP 34 Ca -0.00 0.96 -0.15 0.00 0.71 0.00 0.00 54.79 56.31 1mhe n ASP 34 Cb 0.69 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.29 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 3.95 0.02 -0.18 0.53 2.07 -1.26 -4.64 121.20 121.69 1mhe s ILE 35 Ca 0.91 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.97 1mhe s ILE 35 Cb -0.62 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.20 1mhe s ILE 35 CO 0.48 -0.09 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.68 1mhe s GLU 36 N -0.77 3.23 -0.05 3.50 2.02 -0.12 -4.99 118.70 121.52 1mhe s GLU 36 Ca -0.08 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.23 1mhe s GLU 36 Cb -0.03 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 1mhe s GLU 36 CO 0.05 -0.10 -0.20 0.08 0.02 0.00 0.00 175.26 175.11 1mhe s VAL 37 N 1.13 1.70 -0.02 2.63 1.01 -1.26 -0.22 120.40 125.37 1mhe s VAL 37 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1mhe s VAL 37 Cb -0.14 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1mhe s VAL 37 CO -0.04 0.48 0.00 -1.81 0.00 0.00 0.00 175.10 173.73 1mhe s ASP 38 N 0.00 0.22 -0.15 3.32 1.01 0.17 -4.98 116.67 116.26 1mhe s ASP 38 Ca -0.05 -0.01 -0.12 0.00 0.71 0.00 0.00 52.55 53.08 1mhe s ASP 38 Cb -0.13 -0.10 -0.05 0.00 1.01 0.00 0.00 42.92 43.65 1mhe s ASP 38 CO 0.03 -0.07 0.26 -0.76 0.21 0.00 0.00 175.17 174.84 1mhe s LEU 39 N 0.66 4.27 0.03 1.23 1.43 -1.26 0.35 118.68 125.39 1mhe s LEU 39 Ca -0.06 0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.62 1mhe s LEU 39 Cb -0.09 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1mhe s LEU 39 CO -0.02 0.17 -0.24 -0.76 0.23 0.00 0.00 176.35 175.73 1mhe s LEU 40 N 0.15 2.29 -0.31 1.79 1.43 0.33 -0.36 118.68 124.00 1mhe s LEU 40 Ca 0.15 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1mhe s LEU 40 Cb -0.13 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.82 1mhe s LEU 40 CO 0.04 0.27 0.05 -0.75 0.23 0.00 0.00 176.35 176.19 1mhe s LYS 41 N -1.18 1.19 -1.31 1.70 2.20 0.29 -1.97 119.74 120.67 1mhe s LYS 41 Ca 0.12 -1.38 -0.02 0.00 -0.36 0.00 0.00 55.97 54.33 1mhe s LYS 41 Cb -0.10 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1mhe s LYS 41 CO 0.02 -0.89 0.80 0.09 -0.36 0.00 0.00 175.35 175.01 1mhe n ASN 42 N 4.57 -1.84 0.00 1.43 4.13 0.55 -1.00 115.26 123.11 1mhe n ASN 42 Ca -0.01 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.48 1mhe n ASN 42 Cb 0.42 -4.30 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 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 -1.51 2.70 3.75 7.41 0.00 -1.26 -4.98 105.19 111.30 1mhe n GLY 43 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.02 4.52 -0.43 1.61 2.56 -0.17 -4.97 118.70 121.81 1mhe s GLU 44 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 54.97 56.59 1mhe s GLU 44 Cb 0.00 -3.19 0.02 0.00 2.00 0.00 0.00 34.13 32.96 1mhe s GLU 44 CO 0.00 0.00 1.14 0.50 -0.56 0.00 0.00 175.26 176.35 1mhe s ARG 45 N -0.91 3.81 0.46 4.30 3.52 -1.26 -0.54 118.95 128.32 1mhe s ARG 45 Ca 0.49 0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 56.59 1mhe s ARG 45 Cb -0.34 -3.87 -0.07 0.00 -1.56 0.00 0.00 34.95 29.11 1mhe s ARG 45 CO 0.41 -1.26 1.29 0.42 -0.81 0.00 0.00 175.30 175.35 1mhe s ILE 46 N 4.31 2.55 0.47 4.11 1.01 0.52 -4.96 121.20 129.22 1mhe s ILE 46 Ca 0.48 0.45 0.05 0.00 0.00 0.00 0.00 60.65 61.64 1mhe s ILE 46 Cb -0.09 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1mhe s ILE 46 CO 0.27 0.03 0.21 -1.61 0.00 0.00 0.00 174.94 173.85 1mhe s GLU 47 N -2.55 2.23 -1.04 2.79 2.02 -1.26 -4.68 118.70 116.21 1mhe s GLU 47 Ca 0.63 -2.01 -0.08 0.00 0.02 0.00 0.00 54.97 53.53 1mhe s GLU 47 Cb -0.37 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 1mhe s GLU 47 CO 0.46 -0.32 0.89 1.63 0.02 0.00 0.00 175.26 177.94 1mhe n LYS 48 N -1.40 -2.04 -4.49 1.61 5.02 -1.26 -5.01 118.16 110.59 1mhe n LYS 48 Ca -0.05 0.85 -0.33 0.00 -2.02 0.00 0.00 58.31 56.76 1mhe n LYS 48 Cb 0.65 -5.58 -0.15 0.00 -0.02 0.00 0.00 35.03 29.94 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 2.86 0.68 -0.18 1.01 -1.26 -4.86 120.40 115.27 1mhe s VAL 49 Ca 0.43 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1mhe s VAL 49 Cb -0.07 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.18 1mhe s VAL 49 CO 0.76 0.50 0.95 -1.61 0.00 0.00 0.00 175.10 175.70 1mhe s GLU 50 N 0.80 1.99 -0.15 2.72 2.02 -0.83 -4.89 118.70 120.36 1mhe s GLU 50 Ca -0.05 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 1mhe s GLU 50 Cb -0.15 -2.32 0.08 0.00 0.10 0.00 0.00 34.13 31.84 1mhe s GLU 50 CO 0.00 -1.23 0.76 -3.38 0.02 0.00 0.00 175.26 171.44 1mhe s HIS 51 N -3.08 -0.65 1.19 1.61 -3.43 -1.26 -1.61 115.29 108.07 1mhe s HIS 51 Ca 0.63 1.31 -0.14 0.00 -0.80 0.00 0.00 55.06 56.05 1mhe s HIS 51 Cb -0.08 0.37 0.29 0.00 -1.43 0.00 0.00 32.58 31.73 1mhe s HIS 51 CO 0.43 -0.47 1.02 -1.54 -2.00 0.00 0.00 174.74 172.18 1mhe s SER 52 N -0.59 0.80 0.37 7.38 1.04 -0.04 -4.95 113.70 117.70 1mhe s SER 52 Ca -0.05 1.35 -0.25 0.00 0.48 0.00 0.00 55.95 57.48 1mhe s SER 52 Cb -0.02 -2.08 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 1mhe s SER 52 CO 0.05 -4.29 0.99 -1.81 0.98 0.00 0.00 173.24 169.16 1mhe s ASP 53 N -2.72 7.05 0.32 7.02 1.01 -1.26 -4.70 116.67 123.39 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 -0.23 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.01 1mhe s ASP 53 CO 0.63 -0.28 1.51 -0.22 0.21 0.00 0.00 175.17 177.02 1mhe s LEU 54 N -2.42 4.35 0.32 1.23 2.96 -1.26 -4.90 118.68 118.96 1mhe s LEU 54 Ca 0.55 2.93 -0.18 0.00 -0.22 0.00 0.00 54.13 57.21 1mhe s LEU 54 Cb -0.19 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.88 1mhe s LEU 54 CO 0.24 -0.84 0.73 -0.55 -1.32 0.00 0.00 176.35 174.61 1mhe s SER 55 N 0.16 -0.10 0.29 3.68 0.15 -1.24 -5.05 113.70 111.58 1mhe s SER 55 Ca 0.58 -0.87 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1mhe s SER 55 Cb -0.46 0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1mhe s SER 55 CO 0.53 -1.48 0.35 0.72 1.20 0.00 0.00 173.24 174.57 1mhe s PHE 56 N -3.24 1.14 0.48 3.44 -0.12 -1.26 -1.28 117.98 117.13 1mhe s PHE 56 Ca 0.14 -1.31 0.05 0.00 -0.05 0.00 0.00 56.93 55.76 1mhe s PHE 56 Cb -0.05 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1mhe s PHE 56 CO 0.09 -0.94 0.19 -1.54 -0.05 0.00 0.00 175.22 172.97 1mhe s SER 57 N -3.22 4.38 0.53 1.98 1.04 -0.10 -4.96 113.70 113.35 1mhe s SER 57 Ca 0.34 -1.30 0.45 0.00 0.48 0.00 0.00 55.95 55.91 1mhe s SER 57 Cb 0.02 0.07 1.66 0.00 0.10 0.00 0.00 66.02 67.86 1mhe s SER 57 CO 0.18 -0.79 1.62 0.11 0.98 0.00 0.00 173.24 175.34 1mhe h LYS 58 N 1.22 0.01 -0.75 4.02 1.57 -2.03 0.97 116.57 121.58 1mhe h LYS 58 Ca -0.41 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.29 1mhe h LYS 58 Cb 1.28 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 1mhe h LYS 58 CO 0.68 0.01 0.10 -0.40 -0.57 0.00 0.00 179.45 179.27 1mhe n ASP 59 N -4.12 4.38 0.00 0.86 5.75 -1.26 -4.92 116.55 117.25 1mhe n ASP 59 Ca 0.40 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1mhe n ASP 59 Cb 1.80 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 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 0.23 0.00 -2.60 2.11 7.02 0.33 -4.99 117.44 119.55 1mhe n TRP 60 Ca 0.26 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.41 1mhe n TRP 60 Cb 1.05 -0.76 -0.05 0.00 -2.42 0.00 0.00 31.31 29.14 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 -2.59 6.57 0.59 -0.99 1.04 -1.25 -4.67 113.70 112.40 1mhe s SER 61 Ca 0.00 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 1mhe s SER 61 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1mhe s SER 61 CO 0.00 -0.62 0.88 -0.36 0.98 0.00 0.00 173.24 174.12 1mhe s PHE 62 N -2.16 3.10 -0.25 5.02 0.08 -0.41 -0.93 117.98 122.44 1mhe s PHE 62 Ca 0.64 0.43 -0.21 0.00 0.12 0.00 0.00 56.93 57.91 1mhe s PHE 62 Cb -0.13 -2.80 0.07 0.00 -0.57 0.00 0.00 43.02 39.59 1mhe s PHE 62 CO 0.20 -0.92 0.64 1.52 -0.10 0.00 0.00 175.22 176.56 1mhe s TYR 63 N -2.96 -0.76 0.08 0.36 -0.85 -0.41 -1.66 117.35 111.16 1mhe s TYR 63 Ca 0.55 1.78 -0.00 0.00 -0.52 0.00 0.00 57.07 58.88 1mhe s TYR 63 Cb -0.10 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 1mhe s TYR 63 CO 0.43 -0.37 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.55 1mhe s LEU 64 N 0.59 2.36 -0.14 -3.49 1.43 -0.03 -3.73 118.68 115.67 1mhe s LEU 64 Ca -0.02 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1mhe s LEU 64 Cb -0.05 0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.33 1mhe s LEU 64 CO -0.03 -0.58 -0.03 -0.22 0.23 0.00 0.00 176.35 175.72 1mhe s LEU 65 N -2.99 1.21 0.04 1.79 2.96 -1.26 -1.64 118.68 118.78 1mhe s LEU 65 Ca 0.12 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1mhe s LEU 65 Cb 0.07 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 1mhe s LEU 65 CO -0.06 -0.19 0.14 -0.31 -1.32 0.00 0.00 176.35 174.62 1mhe s TYR 66 N 1.76 3.39 -0.03 5.38 1.51 -0.29 -0.86 117.35 128.21 1mhe s TYR 66 Ca 0.02 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.01 1mhe s TYR 66 Cb -0.14 -1.73 0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1mhe s TYR 66 CO -0.07 0.57 0.87 1.52 -1.11 0.00 0.00 175.55 177.33 1mhe s TYR 67 N -1.38 -0.39 0.23 2.71 1.13 -0.63 -0.75 117.35 118.27 1mhe s TYR 67 Ca 0.30 0.39 -0.10 0.00 -1.41 0.00 0.00 57.07 56.26 1mhe s TYR 67 Cb -0.13 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 1mhe s TYR 67 CO 0.22 -0.53 0.38 -0.08 -2.51 0.00 0.00 175.55 173.03 1mhe s THR 68 N -2.56 0.00 0.09 -3.49 -1.32 -0.69 -1.96 115.64 105.71 1mhe s THR 68 Ca 0.02 -1.57 -0.17 0.00 -1.21 0.00 0.00 61.69 58.76 1mhe s THR 68 Cb -0.01 -2.28 -0.07 0.00 -1.51 0.00 0.00 72.50 68.63 1mhe s THR 68 CO -0.05 0.00 0.54 -0.70 -2.21 0.00 0.00 174.62 172.19 1mhe s GLU 69 N -4.06 4.07 0.21 7.08 2.12 -1.26 -0.94 118.70 125.92 1mhe s GLU 69 Ca 0.27 0.59 -0.21 0.00 0.36 0.00 0.00 54.97 55.98 1mhe s GLU 69 Cb 0.01 -3.11 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1mhe s GLU 69 CO 0.10 0.58 0.61 -0.59 -0.54 0.00 0.00 175.26 175.42 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 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 1mhe s PHE 70 Cb -0.17 0.56 0.08 0.00 -1.21 0.00 0.00 43.02 42.27 1mhe s PHE 70 CO 0.18 -0.99 0.02 0.99 -1.34 0.00 0.00 175.22 174.09 1mhe s THR 71 N -3.84 1.23 0.76 -4.49 2.01 -1.26 -0.42 115.64 109.64 1mhe s THR 71 Ca 0.06 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 60.61 1mhe s THR 71 Cb -0.02 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1mhe s THR 71 CO -0.04 -0.37 0.91 -0.81 -0.69 0.00 0.00 174.62 173.62 1mhe n PRO 72 N 4.74 0.33 -3.63 4.92 -0.04 -1.26 -4.79 135.00 135.26 1mhe n PRO 72 Ca -0.06 0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1mhe n PRO 72 Cb 0.44 -2.19 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 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 -1.96 0.04 0.20 0.52 2.01 -1.26 -2.17 115.64 113.02 1mhe s THR 73 Ca 0.71 -0.33 0.33 0.00 0.31 0.00 0.00 61.69 62.71 1mhe s THR 73 Cb -0.32 -0.92 0.37 0.00 0.01 0.00 0.00 72.50 71.64 1mhe s THR 73 CO 0.53 -0.18 2.02 -0.33 -0.69 0.00 0.00 174.62 175.97 1mhe h GLU 74 N 3.04 0.00 0.06 4.92 5.08 -2.00 -3.21 114.58 122.47 1mhe h GLU 74 Ca -0.30 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.70 1mhe h GLU 74 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1mhe h GLU 74 CO 0.42 0.04 -1.99 0.36 -1.00 0.00 0.00 179.01 176.83 1mhe n LYS 75 N -3.17 0.68 -1.94 2.33 2.85 -1.26 -4.94 118.16 112.72 1mhe n LYS 75 Ca -0.00 0.31 -0.41 0.00 -1.05 0.00 0.00 58.31 57.15 1mhe n LYS 75 Cb 0.29 -1.66 -0.02 0.00 -0.65 0.00 0.00 35.03 32.99 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 -6.95 6.56 -0.13 -5.58 1.01 -1.22 -5.02 116.67 105.35 1mhe s ASP 76 Ca -0.28 2.79 0.02 0.00 0.71 0.00 0.00 52.55 55.79 1mhe s ASP 76 Cb 0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1mhe s ASP 76 CO 0.67 -0.75 -0.20 -0.70 0.21 0.00 0.00 175.17 174.40 1mhe s GLU 77 N -0.84 3.11 0.09 8.23 2.12 -1.26 -4.67 118.70 125.48 1mhe s GLU 77 Ca 0.58 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 55.16 1mhe s GLU 77 Cb -0.44 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1mhe s GLU 77 CO 0.48 0.07 -0.09 0.71 -0.54 0.00 0.00 175.26 175.89 1mhe s TYR 78 N 0.64 2.76 0.23 5.30 2.02 -1.26 -0.33 117.35 126.71 1mhe s TYR 78 Ca -0.10 -0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.30 1mhe s TYR 78 Cb -0.16 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1mhe s TYR 78 CO 0.02 0.42 0.51 0.00 -1.57 0.00 0.00 175.55 174.93 1mhe s ALA 79 N -1.20 -0.57 -0.07 3.71 0.00 -0.83 -0.30 121.76 122.50 1mhe s ALA 79 Ca 0.21 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1mhe s ALA 79 Cb -0.11 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1mhe s ALA 79 CO 0.13 -0.85 -0.21 0.00 0.00 0.00 0.00 175.76 174.83 1mhe s ARG 81 N -0.19 2.83 -0.03 0.00 3.52 0.16 -1.82 118.95 123.41 1mhe s ARG 81 Ca -0.02 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.87 1mhe s ARG 81 Cb -0.13 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1mhe s ARG 81 CO 0.03 -0.22 -0.21 0.08 -0.81 0.00 0.00 175.30 174.18 1mhe s VAL 82 N 1.34 1.69 -0.04 7.11 1.01 -0.14 0.43 120.40 131.79 1mhe s VAL 82 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1mhe s VAL 82 Cb -0.13 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1mhe s VAL 82 CO -0.12 0.48 -0.10 0.21 0.00 0.00 0.00 175.10 175.56 1mhe s ASN 83 N -0.25 1.44 0.08 3.32 2.47 0.70 -0.66 114.94 122.03 1mhe s ASN 83 Ca 0.02 -0.23 -0.09 0.00 0.42 0.00 0.00 52.86 52.98 1mhe s ASN 83 Cb -0.11 -0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 39.17 1mhe s ASN 83 CO 0.01 0.05 0.19 -2.28 -3.72 0.00 0.00 177.10 171.35 1mhe s HIS 84 N 0.42 0.13 0.40 0.43 5.65 -1.26 -0.95 115.29 120.12 1mhe s HIS 84 Ca -0.08 -0.52 0.07 0.00 0.25 0.00 0.00 55.06 54.78 1mhe s HIS 84 Cb -0.12 -0.06 0.84 0.00 -1.18 0.00 0.00 32.58 32.06 1mhe s HIS 84 CO 0.02 -0.51 2.03 -0.24 -0.65 0.00 0.00 174.74 175.38 1mhe h VAL 85 N 2.93 1.07 0.00 0.89 3.04 -1.95 0.24 116.25 122.46 1mhe h VAL 85 Ca -0.34 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1mhe h VAL 85 Cb 1.20 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 0.61 -3.43 3.17 -2.24 -1.26 -4.67 114.28 101.99 1mhe n THR 86 Ca 0.06 0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 1mhe n THR 86 Cb 0.13 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.81 4.29 0.29 3.22 1.43 0.85 -4.95 118.68 121.00 1mhe s LEU 87 Ca 0.13 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1mhe s LEU 87 Cb 0.12 -2.55 0.43 0.00 0.03 0.00 0.00 46.19 44.22 1mhe s LEU 87 CO 0.31 0.09 1.77 0.77 0.23 0.00 0.00 176.35 179.52 1mhe h SER 88 N 6.41 0.59 -4.70 2.29 4.64 -1.83 -3.45 113.55 117.51 1mhe h SER 88 Ca -0.43 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 60.66 1mhe h SER 88 Cb 1.18 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.91 1mhe h SER 88 CO 0.73 0.73 0.02 0.00 -0.87 0.00 0.00 176.83 177.44 1mhe s GLN 89 N -4.80 0.86 -0.07 4.77 -2.07 -1.26 -5.13 119.66 111.96 1mhe s GLN 89 Ca -0.08 0.31 -0.40 0.00 -1.82 0.00 0.00 55.36 53.38 1mhe s GLN 89 Cb 0.14 0.40 -0.18 0.00 -1.09 0.00 0.00 33.01 32.29 1mhe s GLN 89 CO 0.79 -0.22 1.31 -0.35 -1.32 0.00 0.00 175.29 175.49 1mhe n PRO 90 N 1.53 0.50 -3.60 9.60 -0.04 -1.26 -4.93 135.00 136.80 1mhe n PRO 90 Ca -0.18 0.18 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1mhe n PRO 90 Cb 0.56 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.97 3.89 -0.08 0.54 2.20 0.16 -4.91 119.74 122.51 1mhe s LYS 91 Ca 0.92 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 56.76 1mhe s LYS 91 Cb -1.18 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1mhe s LYS 91 CO 0.58 0.59 -0.19 0.42 -0.36 0.00 0.00 175.35 176.39 1mhe s ILE 92 N -0.63 1.64 -0.07 5.43 1.01 -1.26 -0.97 121.20 126.35 1mhe s ILE 92 Ca 0.20 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1mhe s ILE 92 Cb -0.15 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1mhe s ILE 92 CO 0.09 0.47 -0.07 0.54 0.00 0.00 0.00 174.94 175.96 1mhe s VAL 93 N 0.38 0.80 0.19 2.92 0.11 -0.75 -4.98 120.40 119.07 1mhe s VAL 93 Ca -0.14 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1mhe s VAL 93 Cb -0.16 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1mhe s VAL 93 CO 0.06 0.30 0.46 -1.59 -3.33 0.00 0.00 175.10 171.00 1mhe s LYS 94 N 1.20 3.67 0.20 1.54 -2.85 -1.26 -0.38 119.74 121.86 1mhe s LYS 94 Ca -0.06 0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 1mhe s LYS 94 Cb -0.14 -2.76 -0.09 0.00 -2.06 0.00 0.00 37.83 32.78 1mhe s LYS 94 CO -0.02 0.38 1.41 -0.46 0.10 0.00 0.00 175.35 176.76 1mhe s TRP 95 N -1.78 3.14 -0.24 1.78 -0.00 0.59 -4.94 118.94 117.49 1mhe s TRP 95 Ca 0.43 1.02 0.02 0.00 -0.00 0.00 0.00 56.10 57.57 1mhe s TRP 95 Cb -0.12 -3.74 0.06 0.00 -0.00 0.00 0.00 33.47 29.67 1mhe s TRP 95 CO 0.24 -2.46 -0.08 0.34 -0.00 0.00 0.00 176.95 174.99 1mhe s ASP 96 N 0.60 4.07 0.08 5.86 -1.08 -1.26 -4.78 116.67 120.16 1mhe s ASP 96 Ca 0.61 -1.25 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 1mhe s ASP 96 Cb -0.39 -1.35 0.26 0.00 -1.46 0.00 0.00 42.92 39.97 1mhe s ASP 96 CO 0.38 -0.20 1.08 -2.11 0.52 0.00 0.00 175.17 174.83 1mhe n ARG 97 N 4.56 0.03 0.00 4.34 1.85 -1.26 -0.88 116.66 125.31 1mhe n ARG 97 Ca -0.13 0.47 0.13 0.00 -1.00 0.00 0.00 57.85 57.32 1mhe n ARG 97 Cb 0.43 -1.68 0.33 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.62 1.28 0.00 2.89 8.00 -1.26 -4.71 116.55 121.13 1mhe n ASP 98 Ca -0.00 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1mhe n ASP 98 Cb 0.09 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1mhe n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04