#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcd s GLY 2 N 0.00 0.04 -0.35 -5.12 0.00 -1.15 -5.05 107.32 95.68 1hcd s GLY 2 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 44.72 44.52 1hcd s GLY 2 CO 0.00 -0.52 1.23 -2.01 0.00 0.00 0.00 173.10 171.80 1hcd n ASN 3 N 0.55 -0.40 0.00 1.64 4.05 -1.25 -1.49 115.26 118.36 1hcd n ASN 3 Ca -0.18 -2.47 0.00 0.00 0.45 0.00 0.00 54.58 52.38 1hcd n ASN 3 Cb 0.60 0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.92 1hcd n ASN 3 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1hcd n ARG 4 N -0.55 0.00 -3.88 1.20 0.63 0.37 -4.53 116.66 109.91 1hcd n ARG 4 Ca -0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1hcd n ARG 4 Cb 0.84 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.68 1hcd n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hcd s ALA 5 N -1.00 -0.18 -0.25 5.13 0.00 -0.76 -0.05 121.76 124.66 1hcd s ALA 5 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1hcd s ALA 5 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1hcd s ALA 5 CO 0.00 -0.57 -0.06 -0.06 0.00 0.00 0.00 175.76 175.07 1hcd s PHE 6 N -3.90 3.07 -0.09 0.00 0.08 -1.20 -2.13 117.98 113.81 1hcd s PHE 6 Ca 0.09 -1.56 -0.19 0.00 0.12 0.00 0.00 56.93 55.40 1hcd s PHE 6 Cb 0.04 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1hcd s PHE 6 CO -0.07 -0.73 0.51 0.21 -0.10 0.00 0.00 175.22 175.04 1hcd s LYS 7 N 1.32 4.32 -0.76 0.44 2.20 -0.64 -0.90 119.74 125.72 1hcd s LYS 7 Ca 0.00 0.54 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 1hcd s LYS 7 Cb -0.17 -3.41 0.27 0.00 -1.51 0.00 0.00 37.83 33.02 1hcd s LYS 7 CO -0.04 0.22 0.96 -1.13 -0.36 0.00 0.00 175.35 175.00 1hcd n SER 8 N 3.39 4.55 0.00 1.43 3.41 -0.70 -0.02 113.62 125.69 1hcd n SER 8 Ca -0.07 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1hcd n SER 8 Cb 0.52 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1hcd n SER 8 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1hcd n HIS 9 N 0.90 0.00 0.00 7.33 -0.00 -1.26 -4.53 115.22 117.66 1hcd n HIS 9 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1hcd n HIS 9 Cb 0.39 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 1hcd n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1hcd n HIS 10 N -0.46 0.00 0.07 1.57 -0.00 -1.26 -1.87 115.22 113.27 1hcd n HIS 10 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1hcd n HIS 10 Cb 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.75 1hcd n HIS 10 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1hcd h GLY 11 N 0.00 0.05 0.00 1.57 0.00 -1.99 -3.49 103.07 99.21 1hcd h GLY 11 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1hcd h GLY 11 CO 0.00 0.11 0.00 -2.39 0.00 0.00 0.00 176.54 174.26 1hcd n HIS 12 N -3.38 0.00 -4.34 5.60 -0.00 -0.78 -4.65 115.22 107.67 1hcd n HIS 12 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.51 1hcd n HIS 12 Cb 0.95 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.79 1hcd n HIS 12 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 1hcd s PHE 13 N -2.00 0.86 -0.22 -1.40 -0.12 -0.51 -1.71 117.98 112.88 1hcd s PHE 13 Ca 0.00 -0.21 -0.41 0.00 -0.05 0.00 0.00 56.93 56.26 1hcd s PHE 13 Cb 0.00 -0.62 -0.18 0.00 -0.63 0.00 0.00 43.02 41.60 1hcd s PHE 13 CO 0.00 -0.09 1.53 1.28 -0.05 0.00 0.00 175.22 177.89 1hcd n LEU 14 N 3.27 1.60 0.00 -1.99 4.77 -0.08 -1.83 117.00 122.74 1hcd n LEU 14 Ca -0.18 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1hcd n LEU 14 Cb 0.55 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1hcd n LEU 14 CO 0.25 -0.87 0.00 -0.24 -1.33 0.00 0.00 177.39 175.20 1hcd n SER 15 N 3.89 0.00 -4.64 -1.43 2.88 0.21 -3.26 113.62 111.27 1hcd n SER 15 Ca 0.25 -0.92 -0.24 0.00 -1.33 0.00 0.00 58.87 56.63 1hcd n SER 15 Cb 0.09 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 1hcd n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hcd s ALA 16 N -1.21 3.21 -0.30 -1.46 0.00 -1.06 -1.81 121.76 119.14 1hcd s ALA 16 Ca 0.00 -1.88 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 1hcd s ALA 16 Cb 0.00 -0.49 0.19 0.00 0.00 0.00 0.00 23.12 22.82 1hcd s ALA 16 CO 0.00 0.11 0.61 -2.00 0.00 0.00 0.00 175.76 174.48 1hcd s GLU 17 N -3.71 0.56 4.89 0.00 2.56 0.38 -4.31 118.70 119.07 1hcd s GLU 17 Ca 0.34 0.94 0.00 0.00 0.00 0.00 0.00 54.97 56.25 1hcd s GLU 17 Cb -0.02 0.51 0.00 0.00 2.00 0.00 0.00 34.13 36.62 1hcd s GLU 17 CO 0.20 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.64 1hcd n GLY 18 N 5.43 3.05 2.11 -1.50 0.00 -1.26 -0.62 105.19 112.41 1hcd n GLY 18 Ca -0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1hcd n GLY 18 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hcd n GLU 19 N 14.00 2.25 -3.76 1.61 0.00 -1.26 -4.92 120.64 128.56 1hcd n GLU 19 Ca 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 57.16 54.60 1hcd n GLU 19 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 31.44 29.44 1hcd n GLU 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hcd s ALA 20 N -2.86 -0.89 -0.06 -1.84 0.00 0.21 -5.17 121.76 111.15 1hcd s ALA 20 Ca 0.49 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1hcd s ALA 20 Cb 0.38 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 1hcd s ALA 20 CO -0.00 -0.81 -0.17 0.08 0.00 0.00 0.00 175.76 174.85 1hcd s VAL 21 N -3.88 2.82 0.00 0.00 1.01 -1.26 -0.47 120.40 118.61 1hcd s VAL 21 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1hcd s VAL 21 Cb -0.01 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1hcd s VAL 21 CO -0.02 0.58 0.00 0.29 0.00 0.00 0.00 175.10 175.95 1hcd n LYS 22 N 2.53 0.00 -4.00 2.72 5.02 -0.75 -4.93 118.16 118.75 1hcd n LYS 22 Ca -0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 1hcd n LYS 22 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.38 1hcd n LYS 22 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1hcd s THR 23 N -2.18 0.22 0.00 -0.18 -4.23 -1.26 -0.62 115.64 107.39 1hcd s THR 23 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1hcd s THR 23 Cb 0.00 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1hcd s THR 23 CO 0.00 0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 1hcd n HIS 24 N 3.44 -0.82 -4.39 3.99 1.44 -0.76 -4.81 115.22 113.31 1hcd n HIS 24 Ca -0.18 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.25 1hcd n HIS 24 Cb 0.56 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.54 1hcd n HIS 24 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1hcd s HIS 25 N -7.79 2.35 0.08 -1.40 -3.43 -1.26 -1.42 115.29 102.42 1hcd s HIS 25 Ca 0.00 -0.35 -0.31 0.00 -0.80 0.00 0.00 55.06 53.60 1hcd s HIS 25 Cb 0.00 -1.21 -0.07 0.00 -1.43 0.00 0.00 32.58 29.86 1hcd s HIS 25 CO 0.00 0.42 1.43 0.20 -2.00 0.00 0.00 174.74 174.79 1hcd s GLY 26 N -2.38 1.88 0.00 -1.38 0.00 -1.26 -4.69 107.32 99.50 1hcd s GLY 26 Ca 0.18 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1hcd s GLY 26 CO 0.09 2.45 0.00 1.57 0.00 0.00 0.00 173.10 177.21 1hcd n HIS 27 N 4.46 -1.43 -2.96 1.90 -0.00 -1.26 -5.11 115.22 110.82 1hcd n HIS 27 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 1hcd n HIS 27 Cb 0.42 0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 30.66 1hcd n HIS 27 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1hcd s HIS 28 N -1.00 3.43 0.15 1.57 -0.00 -1.26 -4.93 115.29 113.24 1hcd s HIS 28 Ca 0.00 1.18 0.00 0.00 -0.00 0.00 0.00 55.06 56.24 1hcd s HIS 28 Cb 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 32.58 29.64 1hcd s HIS 28 CO 0.00 -0.19 0.00 -0.25 -0.00 0.00 0.00 174.74 174.30 1hcd n ASP 29 N 5.02 -4.32 -4.75 7.38 8.00 -1.26 -4.57 116.55 122.05 1hcd n ASP 29 Ca 0.02 0.70 -0.41 0.00 0.71 0.00 0.00 54.79 55.82 1hcd n ASP 29 Cb 0.49 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.12 39.37 1hcd n ASP 29 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1hcd s HIS 30 N -1.41 3.51 -0.64 1.24 3.76 -1.26 -4.97 115.29 115.52 1hcd s HIS 30 Ca 0.00 1.57 -0.25 0.00 -0.15 0.00 0.00 55.06 56.22 1hcd s HIS 30 Cb 0.00 -3.35 0.04 0.00 1.11 0.00 0.00 32.58 30.38 1hcd s HIS 30 CO 0.00 -0.85 1.09 -3.38 -0.85 0.00 0.00 174.74 170.76 1hcd s HIS 31 N -0.54 2.58 0.01 1.40 -3.43 -1.26 -4.98 115.29 109.06 1hcd s HIS 31 Ca 0.49 -0.07 -0.39 0.00 -0.80 0.00 0.00 55.06 54.29 1hcd s HIS 31 Cb -0.32 -4.37 -0.18 0.00 -1.43 0.00 0.00 32.58 26.28 1hcd s HIS 31 CO 0.38 -1.68 1.25 0.25 -2.00 0.00 0.00 174.74 172.94 1hcd n THR 32 N 6.27 0.01 -3.10 -5.38 -2.24 -1.26 -4.92 114.28 103.67 1hcd n THR 32 Ca 0.02 -0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 1hcd n THR 32 Cb 0.48 -0.46 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1hcd n THR 32 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1hcd s HIS 33 N 0.47 2.09 0.09 4.78 -3.43 -1.26 -2.56 115.29 115.47 1hcd s HIS 33 Ca 0.89 -0.58 0.09 0.00 -0.80 0.00 0.00 55.06 54.66 1hcd s HIS 33 Cb -1.12 -2.26 -0.04 0.00 -1.43 0.00 0.00 32.58 27.74 1hcd s HIS 33 CO 0.53 -0.75 -0.23 -0.06 -2.00 0.00 0.00 174.74 172.24 1hcd s PHE 34 N -2.53 2.42 -0.18 0.38 0.08 0.93 -4.75 117.98 114.34 1hcd s PHE 34 Ca 0.57 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.29 1hcd s PHE 34 Cb -0.07 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 1hcd s PHE 34 CO 0.35 0.28 -0.18 -1.58 -0.10 0.00 0.00 175.22 173.99 1hcd s HIS 35 N -0.99 2.79 -0.18 0.36 5.65 -1.01 0.14 115.29 122.06 1hcd s HIS 35 Ca 0.15 -1.46 -0.01 0.00 0.25 0.00 0.00 55.06 53.98 1hcd s HIS 35 Cb -0.10 -1.93 0.00 0.00 -1.18 0.00 0.00 32.58 29.36 1hcd s HIS 35 CO 0.06 -0.72 -0.12 0.54 -0.65 0.00 0.00 174.74 173.84 1hcd s VAL 36 N 1.23 2.79 0.26 0.89 0.11 -0.56 -1.43 120.40 123.70 1hcd s VAL 36 Ca 0.03 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1hcd s VAL 36 Cb -0.14 -2.22 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 1hcd s VAL 36 CO -0.09 0.49 0.08 -0.70 -3.33 0.00 0.00 175.10 171.54 1hcd s GLU 37 N 1.13 1.43 0.34 1.54 2.56 -0.71 -2.95 118.70 122.03 1hcd s GLU 37 Ca 0.01 -1.77 0.01 0.00 0.00 0.00 0.00 54.97 53.22 1hcd s GLU 37 Cb -0.14 -0.38 -0.03 0.00 2.00 0.00 0.00 34.13 35.57 1hcd s GLU 37 CO -0.04 -0.26 0.53 -0.80 -0.56 0.00 0.00 175.26 174.13 1hcd s ASN 38 N -3.33 6.28 -0.24 -1.70 0.01 -1.26 -1.36 114.94 113.35 1hcd s ASN 38 Ca 0.36 0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.82 1hcd s ASN 38 Cb 0.08 -1.99 0.10 0.00 0.41 0.00 0.00 41.25 39.84 1hcd s ASN 38 CO 0.13 -0.28 0.52 -1.00 -1.51 0.00 0.00 177.10 174.96 1hcd s HIS 39 N -2.28 -0.99 0.00 2.20 3.76 -0.15 -4.71 115.29 113.12 1hcd s HIS 39 Ca 0.39 1.83 0.00 0.00 -0.15 0.00 0.00 55.06 57.14 1hcd s HIS 39 Cb -0.10 0.50 0.00 0.00 1.11 0.00 0.00 32.58 34.10 1hcd s HIS 39 CO 0.35 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 1hcd n GLY 40 N 5.21 3.21 1.31 -2.22 0.00 -1.26 -0.51 105.19 110.93 1hcd n GLY 40 Ca -0.12 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1hcd n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcd n GLY 41 N 0.00 2.87 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.82 1hcd n GLY 41 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1hcd n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hcd n LYS 42 N 0.92 0.28 -4.11 1.61 4.01 0.33 -5.08 118.16 116.12 1hcd n LYS 42 Ca 0.23 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.88 1hcd n LYS 42 Cb 0.77 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 35.17 1hcd n LYS 42 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1hcd s VAL 43 N -1.65 0.74 0.24 -0.18 -7.23 -0.27 -0.98 120.40 111.07 1hcd s VAL 43 Ca 0.00 -1.22 0.11 0.00 -1.81 0.00 0.00 61.98 59.06 1hcd s VAL 43 Cb 0.00 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1hcd s VAL 43 CO 0.00 -0.37 -0.16 0.00 -0.31 0.00 0.00 175.10 174.26 1hcd s ALA 44 N -1.51 2.80 -0.13 1.32 0.00 -0.46 -1.44 121.76 122.32 1hcd s ALA 44 Ca -0.06 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1hcd s ALA 44 Cb -0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1hcd s ALA 44 CO 0.01 0.34 -0.17 -0.51 0.00 0.00 0.00 175.76 175.43 1hcd s LEU 45 N -3.22 2.44 0.05 0.00 1.43 -1.26 -1.73 118.68 116.39 1hcd s LEU 45 Ca 0.27 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1hcd s LEU 45 Cb -0.07 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1hcd s LEU 45 CO 0.15 0.13 0.31 -1.59 0.23 0.00 0.00 176.35 175.58 1hcd s LYS 46 N 0.53 0.84 0.00 1.70 0.00 -0.52 -3.67 119.74 118.63 1hcd s LYS 46 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 55.97 55.32 1hcd s LYS 46 Cb -0.16 0.36 0.00 0.00 0.00 0.00 0.00 37.83 38.03 1hcd s LYS 46 CO 0.04 -0.28 0.74 -2.37 0.00 0.00 0.00 175.35 173.49 1hcd n THR 47 N 0.46 0.00 -1.08 3.79 5.66 -1.26 -2.39 114.28 119.46 1hcd n THR 47 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1hcd n THR 47 Cb 0.60 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 1hcd n THR 47 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1hcd n HIS 48 N 0.00 0.00 -4.28 1.09 -0.00 -1.26 -5.00 115.22 105.78 1hcd n HIS 48 Ca -0.19 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.16 1hcd n HIS 48 Cb 0.58 0.14 -0.04 0.00 -0.00 0.00 0.00 29.99 30.67 1hcd n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hcd n GLY 50 N -1.45 0.36 2.85 0.00 0.00 -1.26 -5.07 105.19 100.62 1hcd n GLY 50 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1hcd n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hcd s LYS 51 N 0.00 0.60 0.00 1.61 -0.14 -1.26 -4.68 119.74 115.88 1hcd s LYS 51 Ca 0.00 -0.02 0.07 0.00 -1.36 0.00 0.00 55.97 54.66 1hcd s LYS 51 Cb 0.00 -0.71 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 1hcd s LYS 51 CO 0.00 -0.12 -0.21 0.71 -0.76 0.00 0.00 175.35 174.97 1hcd s TYR 52 N 1.04 1.86 0.57 3.18 1.51 0.25 -4.08 117.35 121.68 1hcd s TYR 52 Ca -0.09 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.43 1hcd s TYR 52 Cb -0.14 -1.17 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1hcd s TYR 52 CO -0.01 0.01 0.64 1.28 -1.11 0.00 0.00 175.55 176.36 1hcd n LEU 53 N 2.34 1.53 -3.56 -1.29 4.77 -1.22 -0.03 117.00 119.54 1hcd n LEU 53 Ca -0.16 0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1hcd n LEU 53 Cb 0.53 -1.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1hcd n LEU 53 CO 0.23 -2.74 0.27 -0.44 -1.33 0.00 0.00 177.39 173.38 1hcd s SER 54 N -1.19 -0.37 -0.17 -1.43 0.01 0.16 -4.24 113.70 106.47 1hcd s SER 54 Ca 0.71 -0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.58 1hcd s SER 54 Cb -0.44 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.37 1hcd s SER 54 CO 0.52 -0.92 0.49 0.27 0.41 0.00 0.00 173.24 174.02 1hcd s ILE 55 N -3.79 0.00 -0.13 1.44 -4.36 -1.25 -1.35 121.20 111.76 1hcd s ILE 55 Ca 0.03 -0.04 -0.09 0.00 -0.26 0.00 0.00 60.65 60.29 1hcd s ILE 55 Cb 0.00 -0.71 -0.03 0.00 1.25 0.00 0.00 42.46 42.98 1hcd s ILE 55 CO -0.12 -0.02 -0.17 0.61 0.24 0.00 0.00 174.94 175.49 1hcd n GLY 56 N 2.58 -0.91 0.00 6.27 0.00 -0.61 -4.93 105.19 107.59 1hcd n GLY 56 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1hcd n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hcd n ASP 57 N -4.39 0.00 0.00 1.61 5.68 -1.25 -5.00 116.55 113.19 1hcd n ASP 57 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1hcd n ASP 57 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1hcd n ASP 57 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1hcd n HIS 58 N -0.67 0.00 -2.68 2.11 -0.00 -1.26 -1.25 115.22 111.46 1hcd n HIS 58 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1hcd n HIS 58 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.11 1hcd n HIS 58 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1hcd n LYS 59 N 0.00 1.20 -4.83 1.57 2.85 -1.26 -4.49 118.16 113.20 1hcd n LYS 59 Ca 0.00 -1.53 -0.26 0.00 -1.05 0.00 0.00 58.31 55.47 1hcd n LYS 59 Cb 0.00 0.13 -0.15 0.00 -0.65 0.00 0.00 35.03 34.36 1hcd n LYS 59 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1hcd s GLN 60 N 0.16 1.54 0.07 -1.58 -2.07 -0.38 -4.82 119.66 112.59 1hcd s GLN 60 Ca 0.16 -0.85 0.06 0.00 -1.82 0.00 0.00 55.36 52.90 1hcd s GLN 60 Cb 0.40 -1.58 -0.03 0.00 -1.09 0.00 0.00 33.01 30.71 1hcd s GLN 60 CO -0.10 0.42 -0.16 0.08 -1.32 0.00 0.00 175.29 174.21 1hcd s VAL 61 N -0.65 1.23 0.03 3.63 1.01 -1.26 -1.58 120.40 122.81 1hcd s VAL 61 Ca 0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 1hcd s VAL 61 Cb -0.08 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1hcd s VAL 61 CO 0.01 -0.16 0.12 0.00 0.00 0.00 0.00 175.10 175.07 1hcd n TYR 62 N 1.33 -0.82 -4.93 5.22 4.11 -0.46 -4.89 117.16 116.72 1hcd n TYR 62 Ca -0.20 -0.18 -0.28 0.00 -0.00 0.00 0.00 57.90 57.23 1hcd n TYR 62 Cb 0.54 0.09 -0.17 0.00 -0.00 0.00 0.00 39.34 39.80 1hcd n TYR 62 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1hcd s LEU 63 N 0.00 1.89 0.00 -3.48 1.02 -1.26 0.36 118.68 117.21 1hcd s LEU 63 Ca 0.03 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.75 1hcd s LEU 63 Cb -0.00 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 45.08 1hcd s LEU 63 CO 0.01 0.11 0.00 -0.24 0.02 0.00 0.00 176.35 176.25 1hcd n SER 64 N 3.55 0.00 -3.64 2.29 2.88 0.96 -4.80 113.62 114.85 1hcd n SER 64 Ca -0.20 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.14 1hcd n SER 64 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1hcd n SER 64 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1hcd n HIS 65 N 0.00 0.70 -2.13 0.66 8.25 -1.26 -0.58 115.22 120.85 1hcd n HIS 65 Ca 0.00 -1.53 -0.36 0.00 -0.26 0.00 0.00 57.72 55.56 1hcd n HIS 65 Cb 0.00 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 30.92 1hcd n HIS 65 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1hcd s HIS 66 N -2.12 2.59 -0.21 4.41 -3.43 -1.26 -4.49 115.29 110.77 1hcd s HIS 66 Ca 0.00 1.52 -0.28 0.00 -0.80 0.00 0.00 55.06 55.49 1hcd s HIS 66 Cb -0.00 -3.43 0.14 0.00 -1.43 0.00 0.00 32.58 27.86 1hcd s HIS 66 CO 0.00 -1.91 1.08 -1.17 -2.00 0.00 0.00 174.74 170.75 1hcd s LEU 67 N -3.68 -0.32 -0.20 5.38 1.98 -1.26 -5.08 118.68 115.49 1hcd s LEU 67 Ca 0.72 0.44 -0.05 0.00 -2.89 0.00 0.00 54.13 52.36 1hcd s LEU 67 Cb -0.29 1.71 -0.02 0.00 0.66 0.00 0.00 46.19 48.25 1hcd s LEU 67 CO 0.33 -0.23 -0.01 -1.00 -1.89 0.00 0.00 176.35 173.55 1hcd s HIS 68 N -0.70 3.02 0.00 5.38 3.76 -1.26 -4.66 115.29 120.83 1hcd s HIS 68 Ca 0.01 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1hcd s HIS 68 Cb -0.02 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1hcd s HIS 68 CO -0.03 -0.30 0.00 0.41 -0.85 0.00 0.00 174.74 173.97 1hcd n GLY 69 N 4.36 -0.54 3.58 -2.22 0.00 -1.26 -5.08 105.19 104.02 1hcd n GLY 69 Ca -0.17 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1hcd n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hcd s ASP 70 N -4.00 -0.21 0.00 1.61 -1.08 -1.26 -4.88 116.67 106.85 1hcd s ASP 70 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 1hcd s ASP 70 Cb 0.00 0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.73 1hcd s ASP 70 CO 0.00 -0.45 0.00 1.57 0.52 0.00 0.00 175.17 176.81 1hcd n HIS 71 N -0.24 0.00 -0.12 -5.34 -0.00 -1.26 -4.53 115.22 103.73 1hcd n HIS 71 Ca -0.05 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.90 1hcd n HIS 71 Cb 0.60 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.39 1hcd n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1hcd n SER 72 N 1.41 1.95 -4.93 0.26 2.88 -1.26 -3.90 113.62 110.03 1hcd n SER 72 Ca 0.00 0.34 -0.21 0.00 -1.33 0.00 0.00 58.87 57.66 1hcd n SER 72 Cb 0.00 -0.80 0.05 0.00 -0.75 0.00 0.00 64.21 62.71 1hcd n SER 72 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1hcd s LEU 73 N -7.64 3.22 0.23 2.46 0.05 -1.26 -3.43 118.68 112.31 1hcd s LEU 73 Ca -0.36 -0.10 -0.03 0.00 0.05 0.00 0.00 54.13 53.69 1hcd s LEU 73 Cb 0.12 -2.68 -0.03 0.00 -2.05 0.00 0.00 46.19 41.55 1hcd s LEU 73 CO 0.47 -1.27 0.25 -0.36 -0.55 0.00 0.00 176.35 174.89 1hcd s PHE 74 N -2.82 1.00 -0.22 3.48 0.40 -0.52 -4.40 117.98 114.90 1hcd s PHE 74 Ca 0.59 -1.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1hcd s PHE 74 Cb -0.09 -0.35 0.05 0.00 0.51 0.00 0.00 43.02 43.13 1hcd s PHE 74 CO 0.39 -0.78 -0.09 -1.58 0.70 0.00 0.00 175.22 173.86 1hcd s HIS 75 N -4.00 2.59 0.04 0.36 2.46 -0.49 -1.11 115.29 115.14 1hcd s HIS 75 Ca 0.34 -1.80 0.05 0.00 0.47 0.00 0.00 55.06 54.13 1hcd s HIS 75 Cb 0.04 -1.69 -0.02 0.00 -0.13 0.00 0.00 32.58 30.79 1hcd s HIS 75 CO 0.13 -0.78 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.30 1hcd s LEU 76 N 1.33 2.16 -0.04 8.88 2.96 -1.26 -0.05 118.68 132.66 1hcd s LEU 76 Ca -0.04 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1hcd s LEU 76 Cb -0.18 -0.67 0.06 0.00 0.50 0.00 0.00 46.19 45.91 1hcd s LEU 76 CO -0.07 0.06 0.64 -0.70 -1.32 0.00 0.00 176.35 174.96 1hcd s GLU 77 N -1.08 1.02 1.30 1.98 2.56 -0.37 -4.91 118.70 119.19 1hcd s GLU 77 Ca 0.03 0.21 -0.20 0.00 0.00 0.00 0.00 54.97 55.00 1hcd s GLU 77 Cb -0.08 0.48 0.32 0.00 2.00 0.00 0.00 34.13 36.85 1hcd s GLU 77 CO 0.01 -0.31 1.02 -1.01 -0.56 0.00 0.00 175.26 174.41 1hcd s HIS 78 N -1.22 0.08 -0.46 5.30 3.76 -1.26 -1.22 115.29 120.27 1hcd s HIS 78 Ca -0.11 0.60 0.05 0.00 -0.15 0.00 0.00 55.06 55.44 1hcd s HIS 78 Cb -0.01 -3.16 0.19 0.00 1.11 0.00 0.00 32.58 30.71 1hcd s HIS 78 CO 0.09 -4.38 0.76 -1.58 -0.85 0.00 0.00 174.74 168.79 1hcd s HIS 79 N -2.62 -1.43 0.00 1.40 2.46 0.17 -4.60 115.29 110.67 1hcd s HIS 79 Ca 0.70 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.97 1hcd s HIS 79 Cb -0.13 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.60 1hcd s HIS 79 CO 0.58 -1.07 0.00 0.41 -2.47 0.00 0.00 174.74 172.18 1hcd n GLY 80 N 3.35 0.82 0.00 1.59 0.00 -1.26 -0.52 105.19 109.18 1hcd n GLY 80 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1hcd n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcd n GLY 81 N 0.00 0.66 0.00 -0.02 0.00 -1.26 -5.08 105.19 99.48 1hcd n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hcd n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hcd n LYS 82 N -0.09 3.16 -4.02 1.61 4.76 0.32 -4.79 118.16 119.12 1hcd n LYS 82 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1hcd n LYS 82 Cb 0.12 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.24 1hcd n LYS 82 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1hcd s VAL 83 N 0.63 0.02 -0.04 -0.18 0.11 0.14 0.46 120.40 121.53 1hcd s VAL 83 Ca 0.00 -1.49 -0.09 0.00 -2.93 0.00 0.00 61.98 57.47 1hcd s VAL 83 Cb 0.00 -2.16 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 1hcd s VAL 83 CO 0.00 -0.07 0.21 -0.44 -3.33 0.00 0.00 175.10 171.47 1hcd s SER 84 N -3.03 -0.14 0.04 3.54 0.01 -0.36 -0.67 113.70 113.09 1hcd s SER 84 Ca 0.24 0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.75 1hcd s SER 84 Cb 0.02 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1hcd s SER 84 CO 0.07 -0.23 -0.21 -0.63 0.41 0.00 0.00 173.24 172.65 1hcd s ILE 85 N -0.61 2.59 -0.11 1.44 1.01 -1.26 -1.24 121.20 123.02 1hcd s ILE 85 Ca -0.07 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 1hcd s ILE 85 Cb -0.04 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.40 1hcd s ILE 85 CO 0.01 0.35 0.28 -0.75 0.00 0.00 0.00 174.94 174.84 1hcd s LYS 86 N -1.35 0.30 0.00 2.79 2.36 0.93 -1.97 119.74 122.80 1hcd s LYS 86 Ca 0.14 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.99 1hcd s LYS 86 Cb -0.10 0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.77 1hcd s LYS 86 CO 0.04 -0.07 0.00 0.41 1.55 0.00 0.00 175.35 177.28 1hcd n GLY 87 N 3.26 5.18 0.00 5.54 0.00 -0.65 -1.39 105.19 117.13 1hcd n GLY 87 Ca -0.16 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1hcd n GLY 87 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1hcd n HIS 88 N 0.00 -2.42 -1.54 1.61 -0.00 -1.26 -3.90 115.22 107.71 1hcd n HIS 88 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 1hcd n HIS 88 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1hcd n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1hcd n HIS 89 N -1.80 -1.22 -2.98 1.57 8.25 -1.26 -0.58 115.22 117.21 1hcd n HIS 89 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1hcd n HIS 89 Cb 0.00 -1.30 0.00 0.00 1.12 0.00 0.00 29.99 29.81 1hcd n HIS 89 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1hcd n HIS 90 N -1.66 -1.68 -3.37 4.41 -0.00 -1.25 -4.95 115.22 106.71 1hcd n HIS 90 Ca -0.03 0.31 -0.26 0.00 0.46 0.00 0.00 57.72 58.20 1hcd n HIS 90 Cb 0.23 -3.11 -0.02 0.00 -0.12 0.00 0.00 29.99 26.96 1hcd n HIS 90 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1hcd s HIS 91 N -2.85 3.49 0.35 1.57 0.00 0.25 -4.69 115.29 113.41 1hcd s HIS 91 Ca 0.24 0.47 0.08 0.00 -3.00 0.00 0.00 55.06 52.85 1hcd s HIS 91 Cb -0.12 -1.98 -0.04 0.00 -4.00 0.00 0.00 32.58 26.44 1hcd s HIS 91 CO 0.30 0.16 0.15 0.71 -1.00 0.00 0.00 174.74 175.05 1hcd s TYR 92 N -2.19 2.70 -0.06 0.38 1.51 0.92 -1.63 117.35 118.98 1hcd s TYR 92 Ca 0.41 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1hcd s TYR 92 Cb -0.10 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1hcd s TYR 92 CO 0.33 0.32 0.08 0.96 -1.11 0.00 0.00 175.55 176.13 1hcd s ILE 93 N -2.44 4.84 0.27 2.71 -5.25 -0.83 -1.48 121.20 119.02 1hcd s ILE 93 Ca 0.38 -0.17 0.12 0.00 -0.99 0.00 0.00 60.65 59.98 1hcd s ILE 93 Cb -0.02 -3.13 -0.05 0.00 2.95 0.00 0.00 42.46 42.21 1hcd s ILE 93 CO 0.23 0.51 -0.17 -0.55 -1.79 0.00 0.00 174.94 173.16 1hcd s SER 94 N -1.27 3.72 -0.27 4.36 0.15 0.19 -4.64 113.70 115.95 1hcd s SER 94 Ca 0.18 -0.96 -0.00 0.00 0.70 0.00 0.00 55.95 55.86 1hcd s SER 94 Cb -0.12 -0.38 0.16 0.00 -1.71 0.00 0.00 66.02 63.97 1hcd s SER 94 CO 0.08 0.04 0.44 0.00 1.20 0.00 0.00 173.24 174.99 1hcd s ALA 95 N -2.43 -1.41 -1.00 5.45 0.00 -1.21 -1.52 121.76 119.64 1hcd s ALA 95 Ca 0.30 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 1hcd s ALA 95 Cb -0.05 -1.94 0.32 0.00 0.00 0.00 0.00 23.12 21.44 1hcd s ALA 95 CO 0.15 -1.46 1.66 -0.40 0.00 0.00 0.00 175.76 175.71 1hcd n ASP 96 N 5.38 6.85 0.00 0.00 5.68 -0.72 -4.58 116.55 129.15 1hcd n ASP 96 Ca -0.01 -3.62 0.00 0.00 -0.50 0.00 0.00 54.79 50.66 1hcd n ASP 96 Cb 0.50 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 1hcd n ASP 96 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1hcd n HIS 97 N 0.28 0.00 1.27 2.11 -0.00 -1.26 -0.19 115.22 117.43 1hcd n HIS 97 Ca 0.40 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.20 1hcd n HIS 97 Cb 0.29 0.00 0.49 0.00 -0.00 0.00 0.00 29.99 30.77 1hcd n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1hcd n HIS 98 N 14.00 0.00 0.74 1.57 -0.00 -1.26 -3.24 115.22 127.02 1hcd n HIS 98 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 1hcd n HIS 98 Cb 0.00 0.00 0.48 0.00 -0.00 0.00 0.00 29.99 30.47 1hcd n HIS 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1hcd n GLY 99 N 0.24 -1.31 1.04 1.57 0.00 0.74 -5.00 105.19 102.47 1hcd n GLY 99 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1hcd n GLY 99 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hcd n HIS 100 N -1.62 -0.56 -3.79 1.61 1.44 -1.20 -4.82 115.22 106.29 1hcd n HIS 100 Ca 0.05 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.39 1hcd n HIS 100 Cb 0.28 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.33 1hcd n HIS 100 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1hcd s VAL 101 N -0.58 5.40 0.00 0.61 1.01 -1.26 -1.76 120.40 123.82 1hcd s VAL 101 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1hcd s VAL 101 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1hcd s VAL 101 CO 0.00 0.60 0.00 -1.20 0.00 0.00 0.00 175.10 174.50 1hcd n SER 102 N 1.89 0.85 -3.87 3.32 7.64 -0.58 -4.74 113.62 118.14 1hcd n SER 102 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.59 1hcd n SER 102 Cb 0.54 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 1hcd n SER 102 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hcd s THR 103 N -0.59 0.09 0.03 0.44 -4.23 -1.26 0.57 115.64 110.69 1hcd s THR 103 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1hcd s THR 103 Cb 0.00 -0.59 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 1hcd s THR 103 CO 0.00 -0.42 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.08 1hcd s LYS 104 N -1.75 0.41 -0.03 3.99 -0.14 -0.55 -4.85 119.74 116.82 1hcd s LYS 104 Ca -0.12 -0.74 -0.19 0.00 -1.36 0.00 0.00 55.97 53.56 1hcd s LYS 104 Cb -0.06 0.02 -0.32 0.00 -1.68 0.00 0.00 37.83 35.80 1hcd s LYS 104 CO 0.00 -0.03 0.87 1.49 -0.76 0.00 0.00 175.35 176.91 1hcd h GLU 105 N 4.37 0.37 0.00 1.68 4.81 -1.85 0.26 114.58 124.23 1hcd h GLU 105 Ca -0.33 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.27 1hcd h GLU 105 Cb 1.20 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.81 1hcd h GLU 105 CO 0.45 1.30 0.00 1.58 -0.73 0.00 0.00 179.01 181.61 1hcd n HIS 106 N -3.96 -1.24 -3.28 0.92 -0.00 -1.26 -4.70 115.22 101.69 1hcd n HIS 106 Ca -0.17 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.04 1hcd n HIS 106 Cb 0.93 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.77 1hcd n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1hcd s HIS 107 N -0.59 -1.11 0.00 1.57 5.04 -1.26 -4.79 115.29 114.15 1hcd s HIS 107 Ca 0.00 1.43 0.00 0.00 -1.54 0.00 0.00 55.06 54.95 1hcd s HIS 107 Cb 0.00 0.48 0.00 0.00 0.04 0.00 0.00 32.58 33.10 1hcd s HIS 107 CO 0.00 -0.59 0.00 -3.47 -2.34 0.00 0.00 174.74 168.34 1hcd n ASP 108 N 5.36 0.00 0.00 9.88 2.03 -1.26 -5.04 116.55 127.51 1hcd n ASP 108 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1hcd n ASP 108 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1hcd n ASP 108 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1hcd n HIS 109 N -0.02 0.00 0.14 -0.67 8.25 -1.26 -4.61 115.22 117.05 1hcd n HIS 109 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1hcd n HIS 109 Cb 0.00 0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.77 1hcd n HIS 109 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1hcd h ASP 110 N 0.00 0.01 -1.31 0.41 3.32 -1.96 -3.05 116.42 113.83 1hcd h ASP 110 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 1hcd h ASP 110 Cb 0.38 -0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.52 1hcd h ASP 110 CO 0.00 0.00 -1.08 1.07 -1.72 0.00 0.00 179.24 177.51 1hcd n THR 111 N -4.47 1.19 -3.76 0.35 5.66 -1.26 -3.36 114.28 108.63 1hcd n THR 111 Ca 0.03 -3.77 -0.13 0.00 -3.05 0.00 0.00 64.05 57.12 1hcd n THR 111 Cb 0.32 0.05 -0.13 0.00 -1.55 0.00 0.00 70.33 69.01 1hcd n THR 111 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1hcd s THR 112 N -3.56 -0.03 0.54 1.09 2.01 -1.15 -4.69 115.64 109.84 1hcd s THR 112 Ca 0.34 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1hcd s THR 112 Cb 0.42 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.66 1hcd s THR 112 CO -0.03 0.05 0.15 -0.36 -0.69 0.00 0.00 174.62 173.74 1hcd s PHE 113 N 0.90 1.68 0.44 4.92 0.40 0.15 -4.82 117.98 121.64 1hcd s PHE 113 Ca -0.07 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.38 1hcd s PHE 113 Cb -0.08 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1hcd s PHE 113 CO -0.05 -0.07 0.35 -1.21 0.70 0.00 0.00 175.22 174.94 1hcd s GLU 114 N -4.05 2.41 -0.24 0.44 2.02 0.97 0.29 118.70 120.54 1hcd s GLU 114 Ca 0.13 -1.69 -0.01 0.00 0.02 0.00 0.00 54.97 53.42 1hcd s GLU 114 Cb -0.01 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1hcd s GLU 114 CO 0.08 -0.26 -0.08 -1.83 0.02 0.00 0.00 175.26 173.19 1hcd s GLU 115 N -4.12 2.86 -0.01 1.61 -1.05 -1.26 -1.62 118.70 115.11 1hcd s GLU 115 Ca 0.44 -0.95 0.06 0.00 -0.15 0.00 0.00 54.97 54.37 1hcd s GLU 115 Cb -0.01 -2.93 -0.03 0.00 -0.44 0.00 0.00 34.13 30.72 1hcd s GLU 115 CO 0.26 -0.37 -0.20 0.96 0.95 0.00 0.00 175.26 176.85 1hcd s ILE 116 N 1.32 2.58 0.00 1.83 -5.25 -0.91 -5.00 121.20 115.77 1hcd s ILE 116 Ca 0.01 -1.01 0.00 0.00 -0.99 0.00 0.00 60.65 58.65 1hcd s ILE 116 Cb -0.16 -1.99 0.00 0.00 2.95 0.00 0.00 42.46 43.26 1hcd s ILE 116 CO -0.05 0.51 0.00 -0.38 -1.79 0.00 0.00 174.94 173.23 1hcd n ILE 117 N 2.15 0.00 0.36 8.37 5.41 -1.26 -1.83 119.36 132.56 1hcd n ILE 117 Ca -0.17 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.63 1hcd n ILE 117 Cb 0.52 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.48 1hcd n ILE 117 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85