#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcb s ASP 2 N 0.00 6.39 -0.12 1.61 1.11 -1.26 -4.91 116.67 119.48 2pcb s ASP 2 Ca 0.00 0.82 0.17 0.00 0.18 0.00 0.00 52.55 53.71 2pcb s ASP 2 Cb 0.00 -2.19 -0.24 0.00 1.07 0.00 0.00 42.92 41.56 2pcb s ASP 2 CO 0.00 -0.36 0.33 1.33 1.18 0.00 0.00 175.17 177.65 2pcb n VAL 3 N -1.52 1.35 0.00 -1.27 0.24 -1.26 -1.03 118.33 114.84 2pcb n VAL 3 Ca -0.01 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2pcb n VAL 3 Cb 0.55 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 2pcb n VAL 3 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2pcb n GLU 4 N -2.82 0.00 0.21 7.34 4.07 -1.26 0.21 120.64 128.40 2pcb n GLU 4 Ca -0.25 0.63 0.07 0.00 -0.06 0.00 0.00 57.16 57.55 2pcb n GLU 4 Cb 1.07 -1.46 0.47 0.00 -0.06 0.00 0.00 31.44 31.46 2pcb n GLU 4 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2pcb h LYS 5 N 0.00 0.00 0.00 5.31 1.57 -1.93 -2.20 116.57 119.33 2pcb h LYS 5 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2pcb h LYS 5 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pcb h LYS 5 CO 0.00 0.28 -0.28 0.78 -0.57 0.00 0.00 179.45 179.66 2pcb h GLY 6 N 1.25 0.00 0.82 3.86 0.00 -0.41 -2.98 103.07 105.60 2pcb h GLY 6 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2pcb h GLY 6 CO 0.04 0.00 0.02 1.70 0.00 0.00 0.00 176.54 178.30 2pcb h LYS 7 N 0.00 0.32 -0.55 4.80 3.11 0.31 -3.02 116.57 121.54 2pcb h LYS 7 Ca -0.00 -0.09 0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2pcb h LYS 7 Cb 0.58 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.73 2pcb h LYS 7 CO 0.04 0.50 0.27 0.87 -2.81 0.00 0.00 179.45 178.31 2pcb h LYS 8 N 0.10 0.50 -0.61 1.90 1.57 -1.52 -2.05 116.57 116.45 2pcb h LYS 8 Ca 0.06 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2pcb h LYS 8 Cb 0.34 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 2pcb h LYS 8 CO 0.01 0.33 0.17 0.82 -0.57 0.00 0.00 179.45 180.21 2pcb h ILE 9 N 0.51 0.68 -0.13 1.86 2.04 -1.44 -0.97 117.51 120.06 2pcb h ILE 9 Ca 0.25 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 2pcb h ILE 9 Cb 0.19 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2pcb h ILE 9 CO -0.19 0.06 -0.04 0.15 0.00 0.00 0.00 178.15 178.13 2pcb h PHE 10 N 0.32 0.29 -0.02 1.37 3.04 -1.33 0.11 116.94 120.72 2pcb h PHE 10 Ca 0.32 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2pcb h PHE 10 Cb 0.46 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 2pcb h PHE 10 CO -0.22 0.56 -0.01 0.28 -2.02 0.00 0.00 178.31 176.91 2pcb h VAL 11 N -0.06 0.98 0.02 1.41 2.07 -1.13 0.47 116.25 120.00 2pcb h VAL 11 Ca 0.03 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2pcb h VAL 11 Cb 0.47 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2pcb h VAL 11 CO 0.01 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 176.99 2pcb h GLN 12 N 0.00 -0.02 -0.01 1.57 5.75 -1.12 -3.32 115.11 117.96 2pcb h GLN 12 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2pcb h GLN 12 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2pcb h GLN 12 CO -0.02 0.07 -0.36 1.63 -2.65 0.00 0.00 178.83 177.49 2pcb n LYS 13 N -5.06 1.73 0.00 1.69 5.02 0.38 -4.85 118.16 117.07 2pcb n LYS 13 Ca -0.07 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 2pcb n LYS 13 Cb 0.08 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2pcb n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pcb n ALA 15 N -1.35 0.46 0.61 0.00 0.00 0.16 0.23 120.51 120.61 2pcb n ALA 15 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2pcb n ALA 15 Cb 0.01 -0.56 0.42 0.00 0.00 0.00 0.00 19.45 19.33 2pcb n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pcb n GLN 16 N -1.84 0.05 0.00 0.00 0.00 -1.26 -3.78 117.38 110.55 2pcb n GLN 16 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 57.00 57.21 2pcb n GLN 16 Cb 0.41 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2pcb n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2pcb s HIS 18 N -0.00 -0.41 0.13 0.00 3.76 -1.11 -1.12 115.29 116.53 2pcb s HIS 18 Ca 0.00 0.67 0.03 0.00 -0.15 0.00 0.00 55.06 55.61 2pcb s HIS 18 Cb 0.00 0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.90 2pcb s HIS 18 CO 0.00 -0.50 0.20 0.95 -0.85 0.00 0.00 174.74 174.54 2pcb s THR 19 N -1.32 4.96 -0.06 1.30 -4.23 -1.26 -4.44 115.64 110.60 2pcb s THR 19 Ca -0.12 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 59.67 2pcb s THR 19 Cb -0.03 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 2pcb s THR 19 CO 0.07 -0.04 0.06 1.33 -0.54 0.00 0.00 174.62 175.50 2pcb n VAL 20 N -0.24 0.38 -2.66 2.29 0.24 -1.26 0.03 118.33 117.11 2pcb n VAL 20 Ca -0.07 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 2pcb n VAL 20 Cb 0.53 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 2pcb n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2pcb s GLU 21 N -2.26 4.73 0.14 7.34 1.03 -1.26 -1.77 118.70 126.63 2pcb s GLU 21 Ca -0.03 1.57 -0.33 0.00 0.03 0.00 0.00 54.97 56.20 2pcb s GLU 21 Cb 0.03 -3.16 -0.13 0.00 -0.80 0.00 0.00 34.13 30.07 2pcb s GLU 21 CO 0.31 0.37 1.67 1.17 -1.33 0.00 0.00 175.26 177.44 2pcb n LYS 22 N 1.22 2.35 -1.21 -4.83 4.81 -1.26 0.11 118.16 119.34 2pcb n LYS 22 Ca -0.01 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 2pcb n LYS 22 Cb 0.47 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.86 2pcb n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pcb n GLY 23 N 3.73 0.65 3.64 3.14 0.00 -1.26 -5.01 105.19 110.08 2pcb n GLY 23 Ca 0.18 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2pcb n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pcb s GLY 24 N -2.77 1.99 0.78 -0.02 0.00 0.30 -5.03 107.32 102.57 2pcb s GLY 24 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 2pcb s GLY 24 CO 0.00 0.70 1.17 -1.59 0.00 0.00 0.00 173.10 173.38 2pcb s LYS 25 N 1.45 1.90 -0.16 2.90 -2.85 -1.26 -4.54 119.74 117.18 2pcb s LYS 25 Ca 0.13 1.63 -0.21 0.00 -1.00 0.00 0.00 55.97 56.51 2pcb s LYS 25 Cb -0.15 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 2pcb s LYS 25 CO 0.08 -1.99 0.63 -1.01 0.10 0.00 0.00 175.35 173.16 2pcb s HIS 26 N -2.27 3.43 0.00 1.78 3.76 -1.26 -4.29 115.29 116.45 2pcb s HIS 26 Ca 0.71 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 2pcb s HIS 26 Cb -0.26 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2pcb s HIS 26 CO 0.49 -0.08 0.00 0.36 -0.85 0.00 0.00 174.74 174.66 2pcb n LYS 27 N 4.62 0.55 0.10 1.40 0.00 -1.26 -4.82 118.16 118.76 2pcb n LYS 27 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.36 2pcb n LYS 27 Cb 0.50 0.00 0.38 0.00 -0.00 0.00 0.00 35.03 35.91 2pcb n LYS 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2pcb n THR 28 N 0.00 1.37 -4.19 0.58 -1.04 -1.26 -4.61 114.28 105.13 2pcb n THR 28 Ca 0.00 0.63 -0.19 0.00 -2.04 0.00 0.00 64.05 62.45 2pcb n THR 28 Cb 0.00 -1.62 -0.12 0.00 -1.82 0.00 0.00 70.33 66.77 2pcb n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2pcb s GLY 29 N -3.35 0.94 1.09 3.41 0.00 -0.28 -5.01 107.32 104.12 2pcb s GLY 29 Ca -0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 2pcb s GLY 29 CO 0.14 -1.11 0.68 -1.05 0.00 0.00 0.00 173.10 171.76 2pcb n PRO 30 N 1.12 -1.64 -2.56 2.90 -0.02 -1.26 -4.39 135.00 129.15 2pcb n PRO 30 Ca -0.20 -0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 60.48 2pcb n PRO 30 Cb 0.55 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 2pcb n PRO 30 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2pcb s ASN 31 N -2.23 6.57 -0.25 2.55 2.47 -1.26 -4.25 114.94 118.53 2pcb s ASN 31 Ca 0.63 1.97 0.13 0.00 0.42 0.00 0.00 52.86 56.02 2pcb s ASN 31 Cb -0.21 -2.57 0.71 0.00 -1.45 0.00 0.00 41.25 37.73 2pcb s ASN 31 CO 0.65 -0.62 1.67 0.18 -3.72 0.00 0.00 177.10 175.25 2pcb n LEU 32 N -0.53 5.27 -4.80 3.21 4.77 0.10 -4.87 117.00 120.15 2pcb n LEU 32 Ca 0.07 -3.08 -0.35 0.00 -0.03 0.00 0.00 56.01 52.62 2pcb n LEU 32 Cb 0.51 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2pcb n LEU 32 CO 0.42 0.72 0.60 -2.28 -1.33 0.00 0.00 177.39 175.52 2pcb s HIS 33 N -2.88 3.53 -0.01 -1.77 2.46 -0.73 -3.58 115.29 112.31 2pcb s HIS 33 Ca 0.51 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.67 2pcb s HIS 33 Cb 0.40 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 30.02 2pcb s HIS 33 CO 0.13 0.11 0.00 0.41 -2.47 0.00 0.00 174.74 172.91 2pcb n GLY 34 N 0.10 0.38 0.00 1.59 0.00 -0.34 -4.98 105.19 101.94 2pcb n GLY 34 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2pcb n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pcb n LEU 35 N -0.01 1.78 -4.56 0.99 7.94 -1.24 -4.39 117.00 117.52 2pcb n LEU 35 Ca -0.00 0.23 -0.50 0.00 -1.11 0.00 0.00 56.01 54.63 2pcb n LEU 35 Cb 0.28 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 44.08 2pcb n LEU 35 CO 0.00 -0.09 1.66 0.49 -1.11 0.00 0.00 177.39 178.34 2pcb n PHE 36 N -0.77 1.91 -1.52 1.96 3.01 -1.21 -1.31 117.46 119.53 2pcb n PHE 36 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.64 2pcb n PHE 36 Cb 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 39.48 36.88 2pcb n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pcb n GLY 37 N 5.56 0.68 3.24 1.37 0.00 -0.53 -4.99 105.19 110.51 2pcb n GLY 37 Ca 0.33 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2pcb n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pcb s ARG 38 N -2.86 0.88 0.68 1.61 3.00 -0.42 -4.89 118.95 116.95 2pcb s ARG 38 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 55.73 54.87 2pcb s ARG 38 Cb 0.00 0.37 0.06 0.00 0.00 0.00 0.00 34.95 35.38 2pcb s ARG 38 CO 0.00 -0.30 0.96 0.21 0.00 0.00 0.00 175.30 176.17 2pcb s LYS 39 N -3.58 2.19 0.40 3.54 2.20 -1.23 0.36 119.74 123.62 2pcb s LYS 39 Ca 0.02 -0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 2pcb s LYS 39 Cb 0.03 -2.25 -0.10 0.00 -1.51 0.00 0.00 37.83 34.00 2pcb s LYS 39 CO -0.10 -1.16 1.00 0.95 -0.36 0.00 0.00 175.35 175.68 2pcb s THR 40 N -3.14 4.01 -1.46 3.43 -4.23 -0.84 -3.30 115.64 110.12 2pcb s THR 40 Ca 0.60 1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 62.51 2pcb s THR 40 Cb -0.10 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2pcb s THR 40 CO 0.43 -0.06 0.91 0.61 -0.54 0.00 0.00 174.62 175.97 2pcb n GLY 41 N 0.11 -0.53 0.12 3.99 0.00 -1.26 -3.97 105.19 103.65 2pcb n GLY 41 Ca 0.05 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 2pcb n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2pcb h GLN 42 N -2.05 0.29 -6.10 1.61 5.75 -1.93 -3.43 115.11 109.25 2pcb h GLN 42 Ca -0.55 -0.49 -0.61 0.00 -0.15 0.00 0.00 58.65 56.85 2pcb h GLN 42 Cb 1.37 0.18 0.00 0.00 1.07 0.00 0.00 27.48 30.10 2pcb h GLN 42 CO 0.58 1.16 1.36 0.00 -2.65 0.00 0.00 178.83 179.28 2pcb n ALA 43 N -2.70 1.39 -2.03 3.38 0.00 -1.26 -4.92 120.51 114.37 2pcb n ALA 43 Ca -0.18 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2pcb n ALA 43 Cb 1.05 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 2pcb n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pcb s PRO 44 N 5.58 3.64 0.00 0.00 0.04 -1.26 -2.79 135.00 140.20 2pcb s PRO 44 Ca 1.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2pcb s PRO 44 Cb -0.55 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2pcb s PRO 44 CO 0.43 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2pcb n GLY 45 N 4.95 1.40 3.88 0.56 0.00 -1.26 -5.03 105.19 109.68 2pcb n GLY 45 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2pcb n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pcb s PHE 46 N -1.95 3.58 -1.38 1.61 5.36 -1.12 -5.01 117.98 119.07 2pcb s PHE 46 Ca 0.00 0.51 -0.09 0.00 -0.96 0.00 0.00 56.93 56.39 2pcb s PHE 46 Cb 0.00 -1.93 0.09 0.00 -0.34 0.00 0.00 43.02 40.84 2pcb s PHE 46 CO 0.00 0.73 2.28 -2.37 -1.46 0.00 0.00 175.22 174.40 2pcb n THR 47 N 1.92 4.51 -0.61 0.12 5.66 -1.26 -4.95 114.28 119.67 2pcb n THR 47 Ca -0.19 -3.86 -0.29 0.00 -3.05 0.00 0.00 64.05 56.66 2pcb n THR 47 Cb 0.55 -2.35 0.17 0.00 -1.55 0.00 0.00 70.33 67.16 2pcb n THR 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pcb n TYR 48 N 3.43 -1.78 -4.93 1.09 4.01 -1.26 -5.03 117.16 112.69 2pcb n TYR 48 Ca 0.56 0.05 -0.33 0.00 -0.16 0.00 0.00 57.90 58.02 2pcb n TYR 48 Cb 0.31 -1.50 -0.15 0.00 -0.31 0.00 0.00 39.34 37.69 2pcb n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2pcb s THR 49 N -2.18 2.73 0.11 -0.72 -4.23 -1.26 -5.01 115.64 105.08 2pcb s THR 49 Ca 0.51 -0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 2pcb s THR 49 Cb -0.10 -2.11 0.14 0.00 1.34 0.00 0.00 72.50 71.77 2pcb s THR 49 CO 0.57 0.54 0.71 0.47 -0.54 0.00 0.00 174.62 176.38 2pcb n ASP 50 N 3.43 -0.26 -0.32 3.99 9.92 -1.26 0.30 116.55 132.35 2pcb n ASP 50 Ca -0.18 0.80 0.21 0.00 -0.53 0.00 0.00 54.79 55.08 2pcb n ASP 50 Cb 0.53 -0.20 0.41 0.00 -0.64 0.00 0.00 41.12 41.22 2pcb n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pcb h ALA 51 N 0.73 1.64 0.14 2.24 0.00 -1.91 0.32 119.26 122.42 2pcb h ALA 51 Ca 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2pcb h ALA 51 Cb 0.29 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pcb h ALA 51 CO -0.46 -0.65 -0.07 -0.97 0.00 0.00 0.00 179.25 177.10 2pcb h ASN 52 N 0.13 -0.16 -0.85 0.00 -1.24 0.44 -2.16 115.58 111.73 2pcb h ASN 52 Ca 0.68 0.01 0.18 0.00 0.71 0.00 0.00 56.30 57.88 2pcb h ASN 52 Cb 1.57 0.04 -0.11 0.00 0.73 0.00 0.00 38.32 40.55 2pcb h ASN 52 CO -0.74 0.04 0.39 0.11 -1.29 0.00 0.00 177.43 175.94 2pcb h LYS 53 N -0.51 0.46 0.00 6.67 1.57 -1.49 0.19 116.57 123.47 2pcb h LYS 53 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2pcb h LYS 53 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2pcb h LYS 53 CO 0.03 0.31 0.00 -0.91 -0.57 0.00 0.00 179.45 178.31 2pcb h ASN 54 N 0.48 0.00 -0.49 0.86 -0.26 -1.04 -2.48 115.58 112.64 2pcb h ASN 54 Ca 0.50 0.00 0.14 0.00 -0.56 0.00 0.00 56.30 56.38 2pcb h ASN 54 Cb 0.85 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.09 2pcb h ASN 54 CO -0.45 0.00 0.46 0.50 -1.06 0.00 0.00 177.43 176.88 2pcb h LYS 55 N 0.00 0.00 -6.37 0.81 3.11 0.08 -3.45 116.57 110.75 2pcb h LYS 55 Ca 0.00 0.00 -0.43 0.00 -2.81 0.00 0.00 60.65 57.41 2pcb h LYS 55 Cb 0.55 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 31.82 2pcb h LYS 55 CO 0.00 0.00 -0.88 0.41 -2.81 0.00 0.00 179.45 176.17 2pcb n GLY 56 N -1.54 -1.06 3.14 5.01 0.00 -0.93 -5.01 105.19 104.80 2pcb n GLY 56 Ca 0.09 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 2pcb n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pcb s ILE 57 N -3.33 0.18 0.27 -0.61 -5.25 -1.26 -4.91 121.20 106.29 2pcb s ILE 57 Ca 0.34 -1.44 -0.29 0.00 -0.99 0.00 0.00 60.65 58.26 2pcb s ILE 57 Cb -0.14 -1.34 -0.09 0.00 2.95 0.00 0.00 42.46 43.83 2pcb s ILE 57 CO 0.88 -0.80 1.05 -0.89 -1.79 0.00 0.00 174.94 173.39 2pcb s THR 58 N -3.68 3.66 -0.71 8.37 2.01 -1.24 -1.98 115.64 122.07 2pcb s THR 58 Ca 0.04 1.66 -0.17 0.00 0.31 0.00 0.00 61.69 63.53 2pcb s THR 58 Cb 0.05 -4.05 0.14 0.00 0.01 0.00 0.00 72.50 68.66 2pcb s THR 58 CO -0.10 0.38 0.77 0.26 -0.69 0.00 0.00 174.62 175.25 2pcb s TRP 59 N -1.19 3.27 0.12 4.92 0.23 1.14 -4.88 118.94 122.54 2pcb s TRP 59 Ca 0.44 -1.37 0.06 0.00 -2.03 0.00 0.00 56.10 53.20 2pcb s TRP 59 Cb -0.30 -3.98 -0.04 0.00 0.03 0.00 0.00 33.47 29.18 2pcb s TRP 59 CO 0.38 -1.21 -0.15 0.21 0.96 0.00 0.00 176.95 177.13 2pcb s LYS 60 N 1.84 1.04 0.00 4.98 2.20 -1.26 -1.45 119.74 127.09 2pcb s LYS 60 Ca 0.16 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 2pcb s LYS 60 Cb -0.18 -1.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 2pcb s LYS 60 CO -0.01 0.21 0.04 0.39 -0.36 0.00 0.00 175.35 175.62 2pcb n GLU 61 N 0.68 0.00 -0.10 4.03 4.71 -1.26 0.34 120.64 129.04 2pcb n GLU 61 Ca -0.16 0.04 -0.06 0.00 -0.01 0.00 0.00 57.16 56.97 2pcb n GLU 61 Cb 0.56 -0.14 0.01 0.00 -1.01 0.00 0.00 31.44 30.85 2pcb n GLU 61 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2pcb h GLU 62 N 0.00 -0.07 -0.95 3.49 4.57 -1.98 0.47 114.58 120.12 2pcb h GLU 62 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 2pcb h GLU 62 Cb 0.00 0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 28.43 2pcb h GLU 62 CO 0.00 -0.04 -0.13 2.41 -1.18 0.00 0.00 179.01 180.07 2pcb n THR 63 N -5.33 -0.40 0.20 0.32 -1.04 0.15 0.15 114.28 108.33 2pcb n THR 63 Ca 0.02 2.13 -0.08 0.00 -2.04 0.00 0.00 64.05 64.08 2pcb n THR 63 Cb 0.24 -3.02 -0.04 0.00 -1.82 0.00 0.00 70.33 65.70 2pcb n THR 63 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pcb h LEU 64 N 0.00 -0.44 -0.81 -4.42 3.38 0.27 -2.24 115.31 111.04 2pcb h LEU 64 Ca 0.50 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.74 2pcb h LEU 64 Cb 0.90 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2pcb h LEU 64 CO -0.94 -0.27 0.57 0.23 0.09 0.00 0.00 178.44 178.13 2pcb n MET 65 N -3.67 -0.00 -0.04 1.13 2.81 0.39 0.56 117.12 118.30 2pcb n MET 65 Ca -0.06 0.51 -0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2pcb n MET 65 Cb 0.21 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2pcb n MET 65 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2pcb h GLU 66 N 0.00 0.00 -0.94 0.03 4.81 -0.64 -3.37 114.58 114.47 2pcb h GLU 66 Ca 0.41 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 2pcb h GLU 66 Cb 1.58 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.80 2pcb h GLU 66 CO -0.06 0.00 -0.31 0.98 -0.73 0.00 0.00 179.01 178.89 2pcb n TYR 67 N -3.90 0.16 0.25 0.92 9.36 0.19 0.35 117.16 124.50 2pcb n TYR 67 Ca -0.00 1.15 0.17 0.00 3.32 0.00 0.00 57.90 62.54 2pcb n TYR 67 Cb 0.02 -0.93 0.90 0.00 -0.63 0.00 0.00 39.34 38.69 2pcb n TYR 67 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pcb h LEU 68 N 0.00 0.00 0.25 2.98 3.38 -1.18 -0.44 115.31 120.30 2pcb h LEU 68 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2pcb h LEU 68 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2pcb h LEU 68 CO -0.95 0.00 -0.12 -0.08 0.09 0.00 0.00 178.44 177.38 2pcb h GLU 69 N 0.00 -0.32 -2.27 1.13 4.22 -0.05 1.07 114.58 118.35 2pcb h GLU 69 Ca 0.05 0.02 -0.57 0.00 0.08 0.00 0.00 59.36 58.95 2pcb h GLU 69 Cb 0.36 0.07 -0.37 0.00 0.50 0.00 0.00 28.75 29.31 2pcb h GLU 69 CO -0.00 0.03 -0.97 -1.71 -2.18 0.00 0.00 179.01 174.18 2pcb n ASN 70 N -5.01 -0.58 -0.40 1.04 2.85 -0.29 -3.89 115.26 108.97 2pcb n ASN 70 Ca -0.08 -2.42 0.35 0.00 -0.11 0.00 0.00 54.58 52.32 2pcb n ASN 70 Cb 0.25 -0.45 0.62 0.00 1.24 0.00 0.00 39.78 41.44 2pcb n ASN 70 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2pcb h PRO 71 N 5.47 0.07 0.31 1.20 0.11 -1.51 0.33 132.00 137.98 2pcb h PRO 71 Ca 0.24 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 2pcb h PRO 71 Cb 0.92 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2pcb h PRO 71 CO 0.36 0.04 -0.15 1.57 -0.21 0.00 0.00 178.00 179.61 2pcb h LYS 72 N 0.07 -0.41 -0.30 1.05 2.10 -1.84 -2.80 116.57 114.44 2pcb h LYS 72 Ca 0.84 0.03 0.03 0.00 -2.00 0.00 0.00 60.65 59.54 2pcb h LYS 72 Cb 2.44 0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 33.82 2pcb h LYS 72 CO -0.56 -0.08 -0.27 -0.22 -2.00 0.00 0.00 179.45 176.33 2pcb h LYS 73 N -0.92 -0.11 0.00 0.07 3.64 -0.81 -1.54 116.57 116.90 2pcb h LYS 73 Ca -0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pcb h LYS 73 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2pcb h LYS 73 CO 0.07 -0.07 0.00 -0.92 -2.27 0.00 0.00 179.45 176.26 2pcb h TYR 74 N -0.11 0.00 -0.94 1.91 5.03 -1.24 -3.37 116.97 118.25 2pcb h TYR 74 Ca 0.05 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 2pcb h TYR 74 Cb 0.24 0.00 -0.20 0.00 1.55 0.00 0.00 36.73 38.33 2pcb h TYR 74 CO -0.79 0.00 -0.39 0.42 -1.32 0.00 0.00 178.16 176.08 2pcb s ILE 75 N -3.67 -0.94 0.98 1.81 1.01 -0.60 -5.08 121.20 114.71 2pcb s ILE 75 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 2pcb s ILE 75 Cb 0.08 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2pcb s ILE 75 CO 0.24 0.00 0.15 -0.81 0.00 0.00 0.00 174.94 174.52 2pcb n PRO 76 N 4.89 -0.40 -3.93 2.79 -0.04 -1.07 -4.10 135.00 133.14 2pcb n PRO 76 Ca 0.08 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2pcb n PRO 76 Cb 0.56 -1.70 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2pcb n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pcb n GLY 77 N 1.88 -0.43 3.90 0.55 0.00 -1.26 -4.82 105.19 105.02 2pcb n GLY 77 Ca 0.05 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2pcb n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pcb s THR 78 N -3.97 1.89 -0.33 2.61 -1.32 -1.26 -4.81 115.64 108.45 2pcb s THR 78 Ca 0.24 -1.44 0.19 0.00 -1.21 0.00 0.00 61.69 59.47 2pcb s THR 78 Cb -0.13 -2.33 -0.26 0.00 -1.51 0.00 0.00 72.50 68.27 2pcb s THR 78 CO 0.70 0.00 0.55 0.29 -2.21 0.00 0.00 174.62 173.95 2pcb n LYS 79 N -1.74 0.71 -2.32 7.08 5.02 -1.26 -4.86 118.16 120.78 2pcb n LYS 79 Ca 0.01 -0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 2pcb n LYS 79 Cb 0.64 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 2pcb n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2pcb s MET 80 N -3.10 3.48 -0.92 1.97 1.75 -1.26 -4.88 119.30 116.35 2pcb s MET 80 Ca -0.02 0.88 -0.15 0.00 -1.25 0.00 0.00 55.69 55.15 2pcb s MET 80 Cb 0.13 -4.06 0.20 0.00 2.84 0.00 0.00 34.83 33.94 2pcb s MET 80 CO 0.77 -1.68 0.95 0.42 -0.65 0.00 0.00 175.02 174.83 2pcb s ILE 81 N 5.74 5.41 -0.09 10.11 -1.09 -1.26 -4.84 121.20 135.19 2pcb s ILE 81 Ca 0.61 -2.39 -0.10 0.00 -2.23 0.00 0.00 60.65 56.54 2pcb s ILE 81 Cb -0.14 -4.59 0.03 0.00 -1.58 0.00 0.00 42.46 36.18 2pcb s ILE 81 CO 0.31 -1.21 0.28 0.12 -1.23 0.00 0.00 174.94 173.21 2pcb s PHE 82 N 0.68 -0.27 -0.40 3.97 5.36 -1.26 -5.05 117.98 121.01 2pcb s PHE 82 Ca 0.25 0.63 0.08 0.00 -0.96 0.00 0.00 56.93 56.94 2pcb s PHE 82 Cb -0.08 0.09 0.59 0.00 -0.34 0.00 0.00 43.02 43.28 2pcb s PHE 82 CO -0.08 -0.19 1.52 0.00 -1.46 0.00 0.00 175.22 175.01 2pcb n ALA 83 N 2.62 3.93 -1.45 11.12 0.00 -1.26 -4.67 120.51 130.80 2pcb n ALA 83 Ca -0.15 -1.66 0.18 0.00 0.00 0.00 0.00 53.44 51.81 2pcb n ALA 83 Cb 0.58 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 2pcb n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pcb n GLY 84 N 0.12 -3.33 3.87 0.00 0.00 -1.25 -4.72 105.19 99.87 2pcb n GLY 84 Ca 0.28 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2pcb n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pcb s ILE 85 N -4.21 5.12 -0.12 -0.61 1.01 0.37 -4.95 121.20 117.81 2pcb s ILE 85 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 60.65 61.17 2pcb s ILE 85 Cb 0.00 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 2pcb s ILE 85 CO 0.00 0.31 0.02 0.29 0.00 0.00 0.00 174.94 175.57 2pcb n LYS 86 N 0.98 1.84 -0.56 2.79 4.01 -1.26 -3.14 118.16 122.83 2pcb n LYS 86 Ca -0.09 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.43 2pcb n LYS 86 Cb 0.52 -1.31 0.26 0.00 -0.51 0.00 0.00 35.03 33.99 2pcb n LYS 86 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2pcb s LYS 87 N -2.29 -1.43 -0.17 1.97 1.02 -1.26 -4.89 119.74 112.69 2pcb s LYS 87 Ca -0.08 0.59 -0.01 0.00 0.02 0.00 0.00 55.97 56.49 2pcb s LYS 87 Cb 0.04 -1.51 -0.10 0.00 -0.52 0.00 0.00 37.83 35.73 2pcb s LYS 87 CO 0.48 -4.00 -0.17 1.63 -0.92 0.00 0.00 175.35 172.37 2pcb n LYS 88 N -5.08 0.41 -0.02 1.68 5.02 -1.26 -3.94 118.16 114.97 2pcb n LYS 88 Ca 0.05 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 2pcb n LYS 88 Cb 0.56 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 2pcb n LYS 88 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2pcb h THR 89 N -0.15 0.01 0.00 -0.18 2.02 -1.97 1.05 112.91 113.69 2pcb h THR 89 Ca -0.39 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 2pcb h THR 89 Cb 1.54 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2pcb h THR 89 CO -0.11 0.00 -0.27 -0.08 0.37 0.00 0.00 175.52 175.43 2pcb h GLU 90 N -0.56 0.00 -0.21 6.66 4.81 -1.98 0.68 114.58 123.98 2pcb h GLU 90 Ca 0.04 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 2pcb h GLU 90 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2pcb h GLU 90 CO -0.46 0.27 -0.62 -0.09 -0.73 0.00 0.00 179.01 177.38 2pcb h ARG 91 N 0.00 0.74 -0.36 1.92 2.43 -1.46 -1.50 114.38 116.15 2pcb h ARG 91 Ca -0.00 -0.51 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 2pcb h ARG 91 Cb 0.81 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2pcb h ARG 91 CO 0.03 1.13 -0.08 0.93 -1.51 0.00 0.00 179.97 180.48 2pcb h GLU 92 N 0.55 0.69 -0.29 0.20 5.08 0.18 -2.07 114.58 118.92 2pcb h GLU 92 Ca -0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 2pcb h GLU 92 Cb 1.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2pcb h GLU 92 CO 0.13 0.85 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.36 2pcb h ASP 93 N 0.49 0.51 0.49 1.42 5.19 0.41 -2.18 116.42 122.75 2pcb h ASP 93 Ca 0.09 -0.15 -0.19 0.00 -0.62 0.00 0.00 57.03 56.16 2pcb h ASP 93 Cb 0.59 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2pcb h ASP 93 CO 0.03 0.71 -0.82 0.25 -3.12 0.00 0.00 179.24 176.30 2pcb h LEU 94 N 0.47 0.31 -0.27 1.55 5.85 -1.13 -3.05 115.31 119.04 2pcb h LEU 94 Ca 0.08 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2pcb h LEU 94 Cb 0.59 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2pcb h LEU 94 CO 0.04 1.00 -0.01 0.40 -0.34 0.00 0.00 178.44 179.52 2pcb h ILE 95 N 0.15 1.26 0.00 4.05 2.04 -1.29 -2.61 117.51 121.11 2pcb h ILE 95 Ca -0.04 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2pcb h ILE 95 Cb 1.42 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2pcb h ILE 95 CO 0.13 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.58 2pcb n ALA 96 N -2.36 -0.03 -0.16 1.87 0.00 -0.83 -2.08 120.51 116.91 2pcb n ALA 96 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.57 2pcb n ALA 96 Cb 0.26 0.11 0.30 0.00 0.00 0.00 0.00 19.45 20.12 2pcb n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2pcb n TYR 97 N -0.87 0.59 0.35 0.00 9.36 -1.16 0.38 117.16 125.82 2pcb n TYR 97 Ca 0.00 0.61 -0.17 0.00 3.32 0.00 0.00 57.90 61.66 2pcb n TYR 97 Cb 0.00 -1.05 -0.08 0.00 -0.63 0.00 0.00 39.34 37.58 2pcb n TYR 97 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pcb h LEU 98 N 0.00 -0.75 -0.95 2.98 3.38 -1.14 -1.87 115.31 116.96 2pcb h LEU 98 Ca 0.43 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.58 2pcb h LEU 98 Cb 1.14 0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 2pcb h LEU 98 CO -0.40 -0.45 -0.24 0.11 0.09 0.00 0.00 178.44 177.56 2pcb h LYS 99 N -1.02 0.00 0.00 1.13 1.57 0.50 0.68 116.57 119.42 2pcb h LYS 99 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2pcb h LYS 99 Cb 0.71 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2pcb h LYS 99 CO 0.15 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.66 2pcb n LYS 100 N -5.60 0.00 -0.15 3.15 5.02 -1.15 -3.87 118.16 115.55 2pcb n LYS 100 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 2pcb n LYS 100 Cb 0.48 -0.20 0.23 0.00 -0.02 0.00 0.00 35.03 35.52 2pcb n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pcb n ALA 101 N -3.00 0.45 0.59 7.82 0.00 -0.71 -0.72 120.51 124.93 2pcb n ALA 101 Ca 0.00 0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.81 2pcb n ALA 101 Cb 0.00 -0.37 0.17 0.00 0.00 0.00 0.00 19.45 19.25 2pcb n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pcb n THR 102 N -3.47 0.79 0.15 0.00 -2.24 0.24 -4.31 114.28 105.43 2pcb n THR 102 Ca 0.14 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2pcb n THR 102 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2pcb n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pcb n ASN 103 N 0.45 -1.59 0.00 3.42 0.23 0.10 -1.20 115.26 116.67 2pcb n ASN 103 Ca 0.12 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.73 2pcb n ASN 103 Cb 0.45 1.63 0.00 0.00 -2.08 0.00 0.00 39.78 39.78 2pcb n ASN 103 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54