#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcb s ILE 2 N 0.00 5.00 -0.04 4.25 -1.09 -1.26 -5.08 121.20 122.99 3pcb s ILE 2 Ca 0.00 1.33 0.07 0.00 -2.23 0.00 0.00 60.65 59.82 3pcb s ILE 2 Cb 0.00 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3pcb s ILE 2 CO 0.00 0.32 -0.25 -1.61 -1.23 0.00 0.00 174.94 172.17 3pcb s GLU 3 N 0.43 2.39 0.27 2.79 0.41 -1.26 -5.14 118.70 118.59 3pcb s GLU 3 Ca 0.34 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 3pcb s GLU 3 Cb -0.18 -2.11 0.05 0.00 -1.78 0.00 0.00 34.13 30.12 3pcb s GLU 3 CO 0.17 0.44 0.37 1.28 -0.49 0.00 0.00 175.26 177.03 3pcb n LEU 4 N 2.78 0.00 -4.78 1.80 4.32 -1.26 -5.05 117.00 114.81 3pcb n LEU 4 Ca -0.17 -0.79 -0.36 0.00 -0.02 0.00 0.00 56.01 54.67 3pcb n LEU 4 Cb 0.52 -0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 42.05 3pcb n LEU 4 CO 0.25 -0.68 0.77 -0.76 -1.22 0.00 0.00 177.39 175.75 3pcb s LEU 5 N 0.00 4.00 0.37 2.23 1.43 -1.26 -4.99 118.68 120.46 3pcb s LEU 5 Ca 0.25 2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 55.24 3pcb s LEU 5 Cb -0.01 -4.31 -0.10 0.00 0.03 0.00 0.00 46.19 41.80 3pcb s LEU 5 CO 0.16 -0.78 0.98 -2.16 0.23 0.00 0.00 176.35 174.79 3pcb s PRO 6 N -2.78 4.37 0.41 1.29 0.04 -1.26 -5.02 135.00 132.05 3pcb s PRO 6 Ca 0.63 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.79 3pcb s PRO 6 Cb -0.24 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 3pcb s PRO 6 CO 0.29 0.07 1.10 -2.00 0.04 0.00 0.00 177.00 176.50 3pcb s GLU 7 N -2.42 4.06 0.16 4.56 2.12 -1.26 -4.95 118.70 120.97 3pcb s GLU 7 Ca 0.55 1.65 -0.32 0.00 0.36 0.00 0.00 54.97 57.21 3pcb s GLU 7 Cb -0.18 -2.56 -0.12 0.00 0.26 0.00 0.00 34.13 31.53 3pcb s GLU 7 CO 0.23 -0.26 1.73 2.41 -0.54 0.00 0.00 175.26 178.83 3pcb n THR 8 N -0.10 0.12 -2.10 -1.70 -1.04 -1.26 -4.92 114.28 103.29 3pcb n THR 8 Ca 0.05 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.65 3pcb n THR 8 Cb 0.48 -1.92 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3pcb n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3pcb s PRO 9 N 1.66 3.94 0.71 -2.82 0.02 -1.26 -5.01 135.00 132.23 3pcb s PRO 9 Ca 0.79 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.76 3pcb s PRO 9 Cb -0.55 -2.70 0.02 0.00 0.02 0.00 0.00 34.50 31.29 3pcb s PRO 9 CO 0.36 -0.49 1.08 0.45 -0.33 0.00 0.00 177.00 178.07 3pcb s SER 10 N -0.86 4.99 0.05 2.53 0.15 -1.26 -5.08 113.70 114.21 3pcb s SER 10 Ca 0.58 1.82 -0.07 0.00 0.70 0.00 0.00 55.95 58.98 3pcb s SER 10 Cb -0.36 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.42 3pcb s SER 10 CO 0.46 -1.71 0.13 -1.10 1.20 0.00 0.00 173.24 172.22 3pcb s GLN 11 N -4.65 0.66 0.60 5.44 -1.52 -1.16 -4.91 119.66 114.13 3pcb s GLN 11 Ca 0.62 -0.78 -0.19 0.00 -1.95 0.00 0.00 55.36 53.06 3pcb s GLN 11 Cb -0.17 0.26 -0.03 0.00 -0.22 0.00 0.00 33.01 32.85 3pcb s GLN 11 CO 0.50 -0.18 1.24 -0.08 -0.25 0.00 0.00 175.29 176.52 3pcb s THR 12 N -2.87 2.43 0.33 -0.19 -1.32 -1.20 -4.73 115.64 108.08 3pcb s THR 12 Ca -0.03 0.27 0.16 0.00 -1.21 0.00 0.00 61.69 60.89 3pcb s THR 12 Cb 0.00 -3.11 0.12 0.00 -1.51 0.00 0.00 72.50 68.00 3pcb s THR 12 CO -0.06 -0.05 1.82 0.00 -2.21 0.00 0.00 174.62 174.12 3pcb h ALA 13 N 0.87 1.26 0.00 11.08 0.00 -1.75 -3.49 119.26 127.23 3pcb h ALA 13 Ca -0.51 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3pcb h ALA 13 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pcb h ALA 13 CO 0.55 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3pcb n GLY 14 N -0.30 -1.49 0.23 0.00 0.00 -1.26 -4.10 105.19 98.27 3pcb n GLY 14 Ca -0.01 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.60 3pcb n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcb h PRO 15 N 0.00 0.00 -0.63 1.61 0.13 -1.92 -3.21 132.00 127.97 3pcb h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcb h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcb h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pcb n TYR 16 N -2.86 1.28 -0.33 1.56 4.01 -1.26 -4.59 117.16 114.96 3pcb n TYR 16 Ca 0.02 -0.49 0.24 0.00 -0.16 0.00 0.00 57.90 57.50 3pcb n TYR 16 Cb 0.33 -0.24 0.48 0.00 -0.31 0.00 0.00 39.34 39.59 3pcb n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcb h VAL 17 N 3.27 0.28 -0.62 -0.72 3.04 -1.70 -0.81 116.25 118.98 3pcb h VAL 17 Ca 0.00 -0.10 0.11 0.00 -1.01 0.00 0.00 66.70 65.69 3pcb h VAL 17 Cb 1.29 -0.05 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 3pcb h VAL 17 CO 0.22 0.06 0.42 0.45 -1.01 0.00 0.00 177.57 177.71 3pcb h HIS 18 N 0.30 0.44 -0.14 3.17 3.86 -1.85 -1.08 115.15 119.85 3pcb h HIS 18 Ca 0.74 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.93 3pcb h HIS 18 Cb 1.69 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 30.01 3pcb h HIS 18 CO -0.02 0.20 -0.03 -0.84 0.86 0.00 0.00 177.93 178.10 3pcb h ILE 19 N 0.41 1.12 0.04 2.45 3.07 -1.39 -0.53 117.51 122.68 3pcb h ILE 19 Ca 0.29 -0.47 -0.37 0.00 1.55 0.00 0.00 64.86 65.87 3pcb h ILE 19 Cb 0.59 1.05 -0.05 0.00 -0.27 0.00 0.00 36.82 38.14 3pcb h ILE 19 CO -0.08 0.15 -2.20 0.61 -1.05 0.00 0.00 178.15 175.58 3pcb n GLY 20 N -1.16 -0.61 0.05 0.16 0.00 -0.69 -4.62 105.19 98.32 3pcb n GLY 20 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3pcb n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcb n LEU 21 N -3.23 1.23 -2.80 0.99 4.77 -0.49 -4.82 117.00 112.64 3pcb n LEU 21 Ca -0.35 -1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 54.39 3pcb n LEU 21 Cb 1.04 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.20 3pcb n LEU 21 CO 0.37 0.30 0.24 0.00 -1.33 0.00 0.00 177.39 176.97 3pcb n ALA 22 N 0.00 -0.46 -0.20 -1.18 0.00 -0.27 -4.97 120.51 113.44 3pcb n ALA 22 Ca 0.01 -1.73 -0.05 0.00 0.00 0.00 0.00 53.44 51.67 3pcb n ALA 22 Cb 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3pcb n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcb h LEU 23 N 3.14 -1.17 -0.08 0.00 4.07 -1.66 0.38 115.31 119.99 3pcb h LEU 23 Ca -0.08 0.23 0.04 0.00 0.08 0.00 0.00 57.88 58.15 3pcb h LEU 23 Cb 1.07 0.58 -0.06 0.00 1.08 0.00 0.00 40.66 43.33 3pcb h LEU 23 CO 0.20 -0.31 -0.31 -0.08 -1.08 0.00 0.00 178.44 176.86 3pcb h GLU 24 N -0.17 -0.40 -0.53 1.13 4.81 -1.87 -0.86 114.58 116.69 3pcb h GLU 24 Ca 0.23 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3pcb h GLU 24 Cb 0.55 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3pcb h GLU 24 CO -0.67 -0.27 0.36 0.00 -0.73 0.00 0.00 179.01 177.70 3pcb h ALA 25 N 0.37 2.05 0.00 2.92 0.00 -1.62 0.81 119.26 123.79 3pcb h ALA 25 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3pcb h ALA 25 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3pcb h ALA 25 CO -0.31 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3pcb n ALA 26 N -2.53 2.04 -2.64 0.00 0.00 0.02 -4.90 120.51 112.49 3pcb n ALA 26 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3pcb n ALA 26 Cb 0.36 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.40 3pcb n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcb n GLY 27 N 0.81 0.51 3.45 0.00 0.00 0.28 -4.98 105.19 105.27 3pcb n GLY 27 Ca 0.05 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3pcb n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcb s ASN 28 N -3.02 3.53 0.33 1.61 0.01 -0.40 -5.03 114.94 111.97 3pcb s ASN 28 Ca 0.12 -0.97 -0.29 0.00 -0.71 0.00 0.00 52.86 51.00 3pcb s ASN 28 Cb -0.05 -0.28 -0.12 0.00 0.41 0.00 0.00 41.25 41.21 3pcb s ASN 28 CO 0.14 0.07 1.47 -0.81 -1.51 0.00 0.00 177.10 176.46 3pcb n PRO 29 N -0.31 2.48 -2.85 -0.60 -0.04 -1.26 -3.97 135.00 128.46 3pcb n PRO 29 Ca -0.08 0.88 -0.19 0.00 -0.04 0.00 0.00 63.50 64.07 3pcb n PRO 29 Cb 0.59 -2.58 0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3pcb n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcb s THR 30 N -0.62 2.70 0.41 0.52 -4.23 -1.26 -4.87 115.64 108.28 3pcb s THR 30 Ca 0.59 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 3pcb s THR 30 Cb -0.52 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 70.47 3pcb s THR 30 CO 0.57 0.00 0.56 -0.13 -0.54 0.00 0.00 174.62 175.08 3pcb s ARG 31 N -4.60 2.91 0.21 3.99 0.52 -1.26 -5.02 118.95 115.70 3pcb s ARG 31 Ca 0.58 -1.07 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 3pcb s ARG 31 Cb -0.09 -2.74 0.18 0.00 0.52 0.00 0.00 34.95 32.81 3pcb s ARG 31 CO 0.37 -0.21 1.57 -0.44 0.02 0.00 0.00 175.30 176.61 3pcb h ASP 32 N 0.65 -1.32 -3.30 0.23 5.19 -2.07 -3.38 116.42 112.42 3pcb h ASP 32 Ca -0.42 0.27 -0.68 0.00 -0.62 0.00 0.00 57.03 55.58 3pcb h ASP 32 Cb 1.27 0.67 -0.33 0.00 0.18 0.00 0.00 39.33 41.12 3pcb h ASP 32 CO 0.49 -0.30 -0.88 -1.10 -3.12 0.00 0.00 179.24 174.34 3pcb s GLN 33 N -5.96 3.01 0.05 3.56 -0.21 -1.26 -5.13 119.66 113.73 3pcb s GLN 33 Ca -0.14 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.42 3pcb s GLN 33 Cb 0.18 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 3pcb s GLN 33 CO 0.70 0.12 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.66 3pcb s GLU 34 N 0.49 0.72 -0.42 2.91 0.41 -1.26 -5.12 118.70 116.42 3pcb s GLU 34 Ca -0.15 -0.80 -0.18 0.00 -0.41 0.00 0.00 54.97 53.43 3pcb s GLU 34 Cb -0.17 -0.64 0.02 0.00 -1.78 0.00 0.00 34.13 31.55 3pcb s GLU 34 CO 0.06 0.14 0.47 0.42 -0.49 0.00 0.00 175.26 175.86 3pcb s ILE 35 N -1.15 5.05 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.19 3pcb s ILE 35 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3pcb s ILE 35 Cb -0.09 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3pcb s ILE 35 CO 0.01 -0.44 0.00 1.87 0.00 0.00 0.00 174.94 176.38 3pcb n TRP 36 N 5.70 0.00 0.43 3.97 -0.00 -1.26 -4.60 117.44 121.68 3pcb n TRP 36 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.49 3pcb n TRP 36 Cb 0.47 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.97 3pcb n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcb n ASN 37 N 0.00 2.70 -4.09 5.87 6.94 -0.07 -1.72 115.26 124.88 3pcb n ASN 37 Ca 0.00 -2.22 -0.36 0.00 -0.02 0.00 0.00 54.58 51.98 3pcb n ASN 37 Cb 0.00 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 36.90 3pcb n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcb s ARG 38 N -1.69 2.45 0.21 -3.83 6.06 -1.26 -0.23 118.95 120.65 3pcb s ARG 38 Ca 0.27 -2.45 0.10 0.00 -2.50 0.00 0.00 55.73 51.15 3pcb s ARG 38 Cb 0.17 -3.68 0.07 0.00 0.06 0.00 0.00 34.95 31.57 3pcb s ARG 38 CO 0.13 -1.16 1.44 -0.07 -2.50 0.00 0.00 175.30 173.14 3pcb h LEU 39 N 7.12 0.00 -8.47 -0.88 4.07 -0.90 -3.46 115.31 112.80 3pcb h LEU 39 Ca -0.03 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.33 3pcb h LEU 39 Cb 0.96 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.41 3pcb h LEU 39 CO 0.71 0.77 -0.85 0.00 -1.08 0.00 0.00 178.44 177.99 3pcb s ALA 40 N -3.07 1.74 0.34 1.53 0.00 -1.18 0.06 121.76 121.17 3pcb s ALA 40 Ca 0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3pcb s ALA 40 Cb 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3pcb s ALA 40 CO 0.78 0.42 0.74 0.15 0.00 0.00 0.00 175.76 177.85 3pcb s LYS 41 N -0.67 3.92 0.51 0.00 1.02 0.27 -4.86 119.74 119.93 3pcb s LYS 41 Ca 0.08 0.58 0.33 0.00 0.02 0.00 0.00 55.97 56.98 3pcb s LYS 41 Cb -0.08 -2.43 1.46 0.00 -0.52 0.00 0.00 37.83 36.25 3pcb s LYS 41 CO -0.00 0.10 1.78 -1.35 -0.92 0.00 0.00 175.35 174.96 3pcb h PRO 42 N 1.94 0.09 -0.80 -1.68 0.11 -2.00 0.11 132.00 129.76 3pcb h PRO 42 Ca -0.48 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3pcb h PRO 42 Cb 1.18 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3pcb h PRO 42 CO 0.65 0.06 0.10 -0.40 -0.21 0.00 0.00 178.00 178.19 3pcb n ASP 43 N -4.29 3.82 -4.76 -2.05 5.75 -1.26 -4.91 116.55 108.85 3pcb n ASP 43 Ca 0.27 -2.67 -0.39 0.00 -0.01 0.00 0.00 54.79 51.98 3pcb n ASP 43 Cb 1.20 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 40.59 3pcb n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcb s ALA 44 N -2.07 3.46 0.73 2.12 0.00 0.02 -5.04 121.76 120.98 3pcb s ALA 44 Ca 0.34 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 3pcb s ALA 44 Cb 0.27 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.65 3pcb s ALA 44 CO 0.09 0.13 1.21 -1.25 0.00 0.00 0.00 175.76 175.94 3pcb s PRO 45 N -0.05 2.12 0.00 0.00 0.04 -1.26 -4.87 135.00 130.98 3pcb s PRO 45 Ca 0.32 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3pcb s PRO 45 Cb -0.18 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3pcb s PRO 45 CO 0.17 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.77 3pcb n GLY 46 N 0.41 1.73 3.57 0.56 0.00 -1.26 -4.62 105.19 105.58 3pcb n GLY 46 Ca 0.13 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 3pcb n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 47 N -1.93 3.53 0.10 1.61 2.12 -1.26 -4.95 118.70 117.92 3pcb s GLU 47 Ca 0.00 0.19 -0.31 0.00 0.36 0.00 0.00 54.97 55.21 3pcb s GLU 47 Cb 0.00 -3.96 -0.08 0.00 0.26 0.00 0.00 34.13 30.34 3pcb s GLU 47 CO 0.00 -1.39 1.58 -1.01 -0.54 0.00 0.00 175.26 173.90 3pcb s HIS 48 N 4.16 2.74 0.11 5.30 3.76 -1.26 -1.66 115.29 128.45 3pcb s HIS 48 Ca 0.39 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 3pcb s HIS 48 Cb -0.09 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.66 3pcb s HIS 48 CO 0.26 -3.44 -0.00 0.96 -0.85 0.00 0.00 174.74 171.67 3pcb s ILE 49 N 2.00 0.39 -0.10 0.60 -4.36 0.06 -4.69 121.20 115.11 3pcb s ILE 49 Ca 0.71 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 59.22 3pcb s ILE 49 Cb -0.40 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 3pcb s ILE 49 CO 0.31 -0.68 -0.19 -0.22 0.24 0.00 0.00 174.94 174.40 3pcb s LEU 50 N -3.05 2.38 -0.04 0.37 2.96 -0.49 -1.80 118.68 119.01 3pcb s LEU 50 Ca 0.17 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3pcb s LEU 50 Cb 0.07 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3pcb s LEU 50 CO -0.02 0.19 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.26 3pcb s LEU 51 N 0.17 2.50 -0.00 -0.68 1.43 -0.63 -1.17 118.68 120.30 3pcb s LEU 51 Ca -0.11 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 3pcb s LEU 51 Cb -0.16 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3pcb s LEU 51 CO 0.06 0.33 0.39 -1.48 0.23 0.00 0.00 176.35 175.88 3pcb s LEU 52 N -0.65 0.54 0.07 1.79 -0.00 -0.91 -1.11 118.68 118.42 3pcb s LEU 52 Ca 0.10 0.14 -0.27 0.00 -0.00 0.00 0.00 54.13 54.10 3pcb s LEU 52 Cb -0.11 1.56 0.09 0.00 -0.00 0.00 0.00 46.19 47.74 3pcb s LEU 52 CO 0.00 -0.53 1.15 -0.83 -0.00 0.00 0.00 176.35 176.15 3pcb s GLY 53 N -1.50 -0.21 0.19 -3.48 0.00 -1.02 -1.24 107.32 100.06 3pcb s GLY 53 Ca -0.11 0.23 0.09 0.00 0.00 0.00 0.00 44.72 44.93 3pcb s GLY 53 CO 0.03 1.47 -0.17 1.20 0.00 0.00 0.00 173.10 175.63 3pcb s GLN 54 N -2.52 1.33 -0.10 2.90 -0.21 -1.26 -1.21 119.66 118.59 3pcb s GLN 54 Ca 0.18 -1.51 0.03 0.00 0.02 0.00 0.00 55.36 54.08 3pcb s GLN 54 Cb 0.01 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.74 3pcb s GLN 54 CO 0.00 0.24 -0.21 0.08 -2.12 0.00 0.00 175.29 173.29 3pcb s VAL 55 N -2.44 1.83 -0.07 1.09 1.01 -1.26 -0.93 120.40 119.63 3pcb s VAL 55 Ca 0.20 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3pcb s VAL 55 Cb -0.04 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3pcb s VAL 55 CO 0.07 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.23 3pcb s TYR 56 N 0.55 2.73 0.80 5.22 2.02 0.04 0.39 117.35 129.11 3pcb s TYR 56 Ca -0.15 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3pcb s TYR 56 Cb -0.17 -1.68 0.16 0.00 -0.40 0.00 0.00 41.96 39.87 3pcb s TYR 56 CO 0.05 0.10 1.10 0.16 -1.57 0.00 0.00 175.55 175.39 3pcb s ASP 57 N -0.49 3.89 0.46 2.29 1.47 0.28 -0.80 116.67 123.76 3pcb s ASP 57 Ca 0.06 -0.31 0.31 0.00 1.18 0.00 0.00 52.55 53.80 3pcb s ASP 57 Cb -0.12 0.09 1.62 0.00 -0.34 0.00 0.00 42.92 44.17 3pcb s ASP 57 CO 0.02 -2.19 1.95 1.23 0.68 0.00 0.00 175.17 176.85 3pcb h GLY 58 N -0.87 0.00 -2.26 2.12 0.00 -1.88 -2.20 103.07 97.98 3pcb h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pcb h GLY 58 CO 0.37 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.61 3pcb n ASN 59 N -2.61 3.42 0.00 0.19 3.02 -1.26 -4.77 115.26 113.24 3pcb n ASN 59 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3pcb n ASN 59 Cb 0.09 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3pcb n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcb n GLY 60 N 1.47 0.57 3.86 7.41 0.00 -0.83 -5.04 105.19 112.63 3pcb n GLY 60 Ca 0.19 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3pcb n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcb s HIS 61 N -2.00 3.58 0.41 1.61 3.76 -1.26 -4.81 115.29 116.59 3pcb s HIS 61 Ca 0.00 0.92 -0.26 0.00 -0.15 0.00 0.00 55.06 55.57 3pcb s HIS 61 Cb 0.00 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.34 3pcb s HIS 61 CO 0.00 0.46 1.38 -0.51 -0.85 0.00 0.00 174.74 175.22 3pcb s LEU 62 N -1.99 4.20 -0.48 0.89 1.43 -1.26 -0.56 118.68 120.92 3pcb s LEU 62 Ca 0.36 2.82 -0.15 0.00 -1.03 0.00 0.00 54.13 56.13 3pcb s LEU 62 Cb -0.14 -3.86 0.08 0.00 0.03 0.00 0.00 46.19 42.30 3pcb s LEU 62 CO 0.19 -0.96 0.40 -0.69 0.23 0.00 0.00 176.35 175.52 3pcb s VAL 63 N -1.21 5.18 -2.64 -1.59 1.01 0.16 -4.83 120.40 116.48 3pcb s VAL 63 Ca 0.57 -1.15 0.26 0.00 0.00 0.00 0.00 61.98 61.67 3pcb s VAL 63 Cb -0.42 -4.13 0.44 0.00 0.00 0.00 0.00 36.38 32.27 3pcb s VAL 63 CO 0.54 -0.62 1.59 0.54 0.00 0.00 0.00 175.10 177.15 3pcb n ARG 64 N 5.19 1.88 -0.40 2.72 1.74 -1.26 -4.10 116.66 122.43 3pcb n ARG 64 Ca -0.13 -1.28 0.07 0.00 -0.77 0.00 0.00 57.85 55.75 3pcb n ARG 64 Cb 0.43 -1.47 0.18 0.00 -1.02 0.00 0.00 32.46 30.58 3pcb n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcb n ASP 65 N 0.56 1.96 -4.83 0.55 5.68 -1.26 -3.90 116.55 115.31 3pcb n ASP 65 Ca 0.17 -3.60 -0.32 0.00 -0.50 0.00 0.00 54.79 50.55 3pcb n ASP 65 Cb 0.43 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.91 3pcb n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcb s SER 66 N -3.10 6.28 -0.06 -1.12 1.04 -1.26 -4.57 113.70 110.91 3pcb s SER 66 Ca 0.36 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.42 3pcb s SER 66 Cb 0.34 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.97 3pcb s SER 66 CO -0.03 -0.83 -0.06 0.12 0.98 0.00 0.00 173.24 173.43 3pcb s PHE 67 N -2.66 0.96 0.04 5.02 5.36 0.39 -2.52 117.98 124.58 3pcb s PHE 67 Ca 0.60 -0.33 0.08 0.00 -0.96 0.00 0.00 56.93 56.32 3pcb s PHE 67 Cb -0.12 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 3pcb s PHE 67 CO 0.36 -0.27 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.11 3pcb s LEU 68 N 1.13 2.15 -0.05 6.12 1.02 -0.19 -1.08 118.68 127.77 3pcb s LEU 68 Ca -0.07 -0.54 0.05 0.00 0.02 0.00 0.00 54.13 53.59 3pcb s LEU 68 Cb -0.14 -1.11 -0.00 0.00 0.02 0.00 0.00 46.19 44.95 3pcb s LEU 68 CO -0.01 0.21 -0.20 -1.61 0.02 0.00 0.00 176.35 174.76 3pcb s GLU 69 N -1.13 2.13 0.07 1.70 2.02 -0.64 -1.61 118.70 121.24 3pcb s GLU 69 Ca 0.09 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.44 3pcb s GLU 69 Cb -0.09 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 3pcb s GLU 69 CO 0.02 0.28 -0.21 0.14 0.02 0.00 0.00 175.26 175.51 3pcb s VAL 70 N 0.01 1.71 -0.05 2.63 -7.23 -0.35 -1.59 120.40 115.53 3pcb s VAL 70 Ca -0.05 -1.33 -0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3pcb s VAL 70 Cb -0.13 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.33 3pcb s VAL 70 CO 0.03 0.12 -0.01 0.86 -0.31 0.00 0.00 175.10 175.79 3pcb s TRP 71 N -0.93 0.58 0.04 2.82 -0.11 -0.06 -2.21 118.94 119.07 3pcb s TRP 71 Ca 0.07 -0.12 -0.17 0.00 1.22 0.00 0.00 56.10 57.10 3pcb s TRP 71 Cb -0.09 -0.67 0.03 0.00 -1.50 0.00 0.00 33.47 31.24 3pcb s TRP 71 CO 0.03 -0.25 0.39 1.14 -4.62 0.00 0.00 176.95 173.64 3pcb s GLN 72 N 1.52 0.88 0.68 5.86 -2.07 -0.24 0.04 119.66 126.33 3pcb s GLN 72 Ca -0.02 -0.37 -0.11 0.00 -1.82 0.00 0.00 55.36 53.04 3pcb s GLN 72 Cb -0.13 0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3pcb s GLN 72 CO -0.03 -0.30 1.06 0.00 -1.32 0.00 0.00 175.29 174.71 3pcb s ALA 73 N -2.38 2.82 1.06 2.60 0.00 -1.26 -4.46 121.76 120.13 3pcb s ALA 73 Ca -0.06 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 3pcb s ALA 73 Cb -0.01 -3.10 0.22 0.00 0.00 0.00 0.00 23.12 20.22 3pcb s ALA 73 CO -0.02 -1.08 1.11 -0.40 0.00 0.00 0.00 175.76 175.37 3pcb n ASP 74 N -3.01 -0.46 0.23 0.00 5.68 0.74 -4.37 116.55 115.35 3pcb n ASP 74 Ca 0.07 -1.33 0.15 0.00 -0.50 0.00 0.00 54.79 53.18 3pcb n ASP 74 Cb 0.55 -0.89 0.81 0.00 -1.14 0.00 0.00 41.12 40.45 3pcb n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcb h ALA 75 N -2.04 1.81 -0.34 2.12 0.00 -1.82 0.22 119.26 119.20 3pcb h ALA 75 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3pcb h ALA 75 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3pcb h ALA 75 CO 0.26 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.44 3pcb n ASN 76 N -4.02 2.91 -2.46 0.00 3.02 -1.26 -3.59 115.26 109.85 3pcb n ASN 76 Ca -0.00 -2.28 -0.18 0.00 -0.03 0.00 0.00 54.58 52.08 3pcb n ASN 76 Cb 0.21 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3pcb n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcb n GLY 77 N 0.66 -0.30 3.30 7.41 0.00 0.60 -4.84 105.19 112.02 3pcb n GLY 77 Ca 0.14 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3pcb n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcb s GLU 78 N -5.44 2.48 -0.23 1.61 2.02 -1.25 -4.67 118.70 113.22 3pcb s GLU 78 Ca 0.23 -0.89 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 3pcb s GLU 78 Cb -0.10 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 3pcb s GLU 78 CO 0.28 0.43 0.82 0.71 0.02 0.00 0.00 175.26 177.53 3pcb s TYR 79 N -0.29 3.33 -0.76 1.61 2.02 -1.26 -0.19 117.35 121.82 3pcb s TYR 79 Ca 0.00 1.14 -0.15 0.00 -0.37 0.00 0.00 57.07 57.69 3pcb s TYR 79 Cb -0.13 -3.03 0.19 0.00 -0.40 0.00 0.00 41.96 38.59 3pcb s TYR 79 CO 0.02 -0.37 0.72 -0.65 -1.57 0.00 0.00 175.55 173.71 3pcb s GLN 80 N 2.70 3.44 0.25 -0.62 -1.52 -1.26 -4.91 119.66 117.73 3pcb s GLN 80 Ca 0.35 -2.22 0.24 0.00 -1.95 0.00 0.00 55.36 51.79 3pcb s GLN 80 Cb -0.15 -4.41 0.48 0.00 -0.22 0.00 0.00 33.01 28.70 3pcb s GLN 80 CO 0.08 -1.33 1.54 0.38 -0.25 0.00 0.00 175.29 175.71 3pcb h ASP 81 N 8.13 0.00 -1.34 5.90 2.03 -1.97 -3.25 116.42 125.93 3pcb h ASP 81 Ca -0.00 -0.05 -0.60 0.00 -0.73 0.00 0.00 57.03 55.65 3pcb h ASP 81 Cb 1.06 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.45 3pcb h ASP 81 CO 0.85 0.03 1.41 0.00 -1.03 0.00 0.00 179.24 180.49 3pcb s ALA 82 N -3.18 2.74 0.07 4.15 0.00 -1.26 -4.95 121.76 119.33 3pcb s ALA 82 Ca 0.07 -2.15 -0.31 0.00 0.00 0.00 0.00 51.96 49.57 3pcb s ALA 82 Cb 0.10 -4.47 -0.08 0.00 0.00 0.00 0.00 23.12 18.67 3pcb s ALA 82 CO 0.67 -3.55 1.64 -0.47 0.00 0.00 0.00 175.76 174.05 3pcb s TYR 83 N 4.99 2.45 -0.28 0.00 5.04 -1.26 -4.99 117.35 123.30 3pcb s TYR 83 Ca 0.44 0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 55.26 3pcb s TYR 83 Cb -0.01 -3.95 0.08 0.00 0.35 0.00 0.00 41.96 38.43 3pcb s TYR 83 CO -0.06 -3.80 0.67 1.21 -1.34 0.00 0.00 175.55 172.23 3pcb s ASN 84 N 2.37 -0.95 0.57 4.32 3.84 -1.26 -5.03 114.94 118.80 3pcb s ASN 84 Ca 0.73 1.49 0.38 0.00 0.21 0.00 0.00 52.86 55.68 3pcb s ASN 84 Cb -0.39 1.45 1.95 0.00 -0.55 0.00 0.00 41.25 43.71 3pcb s ASN 84 CO 0.32 -0.24 2.15 -0.07 -2.79 0.00 0.00 177.10 176.47 3pcb h LEU 85 N 7.12 0.00 -0.05 3.21 3.38 -1.97 -1.62 115.31 125.38 3pcb h LEU 85 Ca -0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3pcb h LEU 85 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3pcb h LEU 85 CO 0.16 0.00 -0.57 -0.33 0.09 0.00 0.00 178.44 177.79 3pcb h GLU 86 N 0.00 0.00 -6.90 1.13 5.08 -2.00 -3.46 114.58 108.43 3pcb h GLU 86 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pcb h GLU 86 Cb 0.13 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.55 3pcb h GLU 86 CO 0.00 0.57 0.09 0.09 -1.00 0.00 0.00 179.01 178.75 3pcb n ASN 87 N -3.26 0.50 0.09 1.42 3.02 -0.61 -4.92 115.26 111.51 3pcb n ASN 87 Ca 0.02 0.71 0.01 0.00 -0.03 0.00 0.00 54.58 55.28 3pcb n ASN 87 Cb 0.75 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 3pcb n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcb h ALA 88 N -0.02 0.64 -3.46 5.41 0.00 -1.89 -3.44 119.26 116.50 3pcb h ALA 88 Ca -0.48 -0.63 -0.26 0.00 0.00 0.00 0.00 54.91 53.54 3pcb h ALA 88 Cb 1.35 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.86 3pcb h ALA 88 CO 0.48 0.78 -0.67 0.12 0.00 0.00 0.00 179.25 179.97 3pcb s PHE 89 N -2.93 -0.06 -0.08 0.00 5.36 -1.26 0.96 117.98 119.97 3pcb s PHE 89 Ca 0.01 0.25 0.04 0.00 -0.96 0.00 0.00 56.93 56.27 3pcb s PHE 89 Cb 0.08 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3pcb s PHE 89 CO 0.78 -0.10 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.43 3pcb s ASN 90 N 0.79 2.68 0.48 6.13 0.01 0.11 -4.94 114.94 120.19 3pcb s ASN 90 Ca -0.06 -0.47 0.27 0.00 -0.71 0.00 0.00 52.86 51.89 3pcb s ASN 90 Cb -0.09 -1.12 0.95 0.00 0.41 0.00 0.00 41.25 41.41 3pcb s ASN 90 CO -0.03 0.14 1.83 0.28 -1.51 0.00 0.00 177.10 177.81 3pcb h SER 91 N 6.64 0.00 -3.48 -1.22 0.02 -1.78 -3.44 113.55 110.30 3pcb h SER 91 Ca -0.25 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.02 3pcb h SER 91 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.59 3pcb h SER 91 CO 0.47 0.11 -0.66 0.12 -1.14 0.00 0.00 176.83 175.73 3pcb s PHE 92 N -3.54 3.04 0.23 3.45 5.36 -1.26 -1.08 117.98 124.19 3pcb s PHE 92 Ca 0.02 0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 55.95 3pcb s PHE 92 Cb 0.09 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 3pcb s PHE 92 CO 0.61 0.41 0.48 0.20 -1.46 0.00 0.00 175.22 175.46 3pcb s GLY 93 N -0.99 0.37 0.00 13.12 0.00 -0.94 -4.83 107.32 114.05 3pcb s GLY 93 Ca 0.14 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3pcb s GLY 93 CO 0.03 -0.55 -0.02 0.50 0.00 0.00 0.00 173.10 173.06 3pcb s ARG 94 N -3.98 0.19 0.20 2.90 0.52 -0.70 -1.21 118.95 116.88 3pcb s ARG 94 Ca 0.19 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 3pcb s ARG 94 Cb -0.01 -0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.29 3pcb s ARG 94 CO 0.06 0.04 0.32 -0.08 0.02 0.00 0.00 175.30 175.66 3pcb s THR 95 N -0.16 0.02 0.11 0.02 -1.32 -0.63 -0.90 115.64 112.79 3pcb s THR 95 Ca -0.00 -1.55 -0.17 0.00 -1.21 0.00 0.00 61.69 58.76 3pcb s THR 95 Cb -0.02 -2.14 0.04 0.00 -1.51 0.00 0.00 72.50 68.87 3pcb s THR 95 CO -0.00 -0.11 0.41 0.00 -2.21 0.00 0.00 174.62 172.70 3pcb s ALA 96 N -4.04 -0.96 0.01 11.08 0.00 -1.26 -1.02 121.76 125.57 3pcb s ALA 96 Ca 0.25 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 3pcb s ALA 96 Cb 0.03 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.73 3pcb s ALA 96 CO 0.06 -0.61 0.46 0.95 0.00 0.00 0.00 175.76 176.62 3pcb s THR 97 N -3.58 4.96 0.26 0.00 -4.23 -1.05 -4.20 115.64 107.80 3pcb s THR 97 Ca 0.01 0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 61.18 3pcb s THR 97 Cb 0.01 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.97 3pcb s THR 97 CO -0.10 0.55 1.58 0.42 -0.54 0.00 0.00 174.62 176.52 3pcb s THR 98 N -0.92 2.24 -0.55 3.99 -4.23 -1.19 -4.56 115.64 110.41 3pcb s THR 98 Ca 0.25 0.19 0.17 0.00 -1.18 0.00 0.00 61.69 61.13 3pcb s THR 98 Cb -0.17 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.71 3pcb s THR 98 CO 0.15 0.03 1.52 0.49 -0.54 0.00 0.00 174.62 176.26 3pcb n PHE 99 N 2.68 0.51 0.00 3.99 3.72 -1.25 -0.68 117.46 126.42 3pcb n PHE 99 Ca 0.10 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 3pcb n PHE 99 Cb 0.38 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 3pcb n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pcb n ASP 100 N -2.00 0.00 0.12 4.37 5.75 -1.26 -4.72 116.55 118.82 3pcb n ASP 100 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 3pcb n ASP 100 Cb 0.11 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.50 3pcb n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcb h ALA 101 N -2.00 1.30 -1.58 2.12 0.00 -1.99 -3.47 119.26 113.64 3pcb h ALA 101 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3pcb h ALA 101 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3pcb h ALA 101 CO 0.00 0.49 -0.16 0.41 0.00 0.00 0.00 179.25 179.99 3pcb n GLY 102 N -0.46 0.36 3.36 0.00 0.00 0.14 -4.94 105.19 103.65 3pcb n GLY 102 Ca -0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3pcb n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 103 N -4.85 2.37 0.19 1.61 2.12 -1.26 -4.31 118.70 114.57 3pcb s GLU 103 Ca 0.08 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.63 3pcb s GLU 103 Cb -0.04 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 3pcb s GLU 103 CO 0.10 0.53 0.14 1.67 -0.54 0.00 0.00 175.26 177.16 3pcb s TRP 104 N -0.52 3.11 0.03 5.30 1.48 -0.35 -3.17 118.94 124.81 3pcb s TRP 104 Ca 0.07 -0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 55.05 3pcb s TRP 104 Cb -0.11 -1.47 -0.02 0.00 -1.16 0.00 0.00 33.47 30.71 3pcb s TRP 104 CO 0.01 0.52 -0.02 0.95 -4.06 0.00 0.00 176.95 174.35 3pcb s THR 105 N -1.86 0.13 -0.07 0.66 -4.23 -1.26 -2.42 115.64 106.60 3pcb s THR 105 Ca 0.31 -1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3pcb s THR 105 Cb -0.09 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.23 3pcb s THR 105 CO 0.23 -0.60 0.17 -0.22 -0.54 0.00 0.00 174.62 173.66 3pcb s LEU 106 N -1.77 1.24 -0.31 4.79 2.96 -0.26 -4.83 118.68 120.49 3pcb s LEU 106 Ca -0.11 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3pcb s LEU 106 Cb -0.06 0.56 0.03 0.00 0.50 0.00 0.00 46.19 47.21 3pcb s LEU 106 CO -0.03 -0.07 0.07 -1.00 -1.32 0.00 0.00 176.35 173.99 3pcb s HIS 107 N 0.27 3.19 0.00 5.38 3.76 0.68 -1.60 115.29 126.97 3pcb s HIS 107 Ca -0.02 -1.32 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 3pcb s HIS 107 Cb -0.03 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.44 3pcb s HIS 107 CO -0.01 -0.68 0.00 -2.37 -0.85 0.00 0.00 174.74 170.83 3pcb n THR 108 N 4.80 0.00 -4.41 1.30 5.66 -0.74 -0.23 114.28 120.65 3pcb n THR 108 Ca -0.14 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.60 3pcb n THR 108 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 3pcb n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcb s VAL 109 N -2.06 2.29 0.11 1.08 -7.23 -1.26 -0.76 120.40 112.57 3pcb s VAL 109 Ca 0.00 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.85 3pcb s VAL 109 Cb 0.00 -2.09 -0.08 0.00 0.56 0.00 0.00 36.38 34.77 3pcb s VAL 109 CO 0.00 -0.13 1.37 -0.75 -0.31 0.00 0.00 175.10 175.28 3pcb s LYS 110 N -2.66 4.33 0.53 4.82 2.20 -0.66 -4.89 119.74 123.41 3pcb s LYS 110 Ca 0.20 2.05 -0.20 0.00 -0.36 0.00 0.00 55.97 57.66 3pcb s LYS 110 Cb -0.08 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3pcb s LYS 110 CO 0.09 -0.42 1.13 -1.25 -0.36 0.00 0.00 175.35 174.54 3pcb s PRO 111 N 1.09 3.41 0.80 4.03 0.04 -1.26 -4.13 135.00 138.98 3pcb s PRO 111 Ca 0.64 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 63.22 3pcb s PRO 111 Cb -0.36 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.27 3pcb s PRO 111 CO 0.30 -0.80 1.11 0.20 0.04 0.00 0.00 177.00 177.85 3pcb s GLY 112 N -1.74 1.75 0.19 0.56 0.00 -0.14 -4.72 107.32 103.21 3pcb s GLY 112 Ca 0.72 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3pcb s GLY 112 CO 0.27 -0.72 1.02 0.14 0.00 0.00 0.00 173.10 173.81 3pcb s VAL 113 N -3.43 4.04 0.09 1.40 1.01 -1.26 -4.37 120.40 117.88 3pcb s VAL 113 Ca 0.67 1.84 0.07 0.00 0.00 0.00 0.00 61.98 64.56 3pcb s VAL 113 Cb -0.06 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3pcb s VAL 113 CO 0.47 0.35 -0.18 0.68 0.00 0.00 0.00 175.10 176.43 3pcb s VAL 114 N -0.52 1.45 0.07 2.92 -7.23 -1.26 -4.45 120.40 111.37 3pcb s VAL 114 Ca 0.46 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 3pcb s VAL 114 Cb -0.27 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3pcb s VAL 114 CO 0.34 -0.17 0.16 0.20 -0.31 0.00 0.00 175.10 175.32 3pcb s ASN 115 N -1.92 6.06 1.14 4.85 0.01 -1.26 -0.38 114.94 123.44 3pcb s ASN 115 Ca 0.04 0.17 -0.14 0.00 -0.71 0.00 0.00 52.86 52.21 3pcb s ASN 115 Cb -0.09 -1.79 0.21 0.00 0.41 0.00 0.00 41.25 39.99 3pcb s ASN 115 CO 0.03 0.17 0.84 -0.46 -1.51 0.00 0.00 177.10 176.17 3pcb n ASN 116 N 0.33 -1.33 -0.05 -1.22 0.23 0.36 -4.83 115.26 108.75 3pcb n ASN 116 Ca -0.06 -1.08 0.01 0.00 -0.53 0.00 0.00 54.58 52.92 3pcb n ASN 116 Cb 0.51 -0.73 0.31 0.00 -2.08 0.00 0.00 39.78 37.79 3pcb n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcb h ALA 117 N -2.37 1.46 -0.10 -2.53 0.00 -2.00 -1.46 119.26 112.27 3pcb h ALA 117 Ca -0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pcb h ALA 117 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3pcb h ALA 117 CO 0.20 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3pcb n ALA 118 N -2.47 2.49 -0.95 0.00 0.00 -1.26 -4.91 120.51 113.41 3pcb n ALA 118 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3pcb n ALA 118 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3pcb n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcb n GLY 119 N 0.65 0.80 3.75 0.00 0.00 -0.55 -5.04 105.19 104.81 3pcb n GLY 119 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3pcb n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcb s VAL 120 N -3.17 4.87 0.32 1.61 1.01 -1.26 -4.72 120.40 119.05 3pcb s VAL 120 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.07 3pcb s VAL 120 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3pcb s VAL 120 CO 0.00 0.39 1.16 -2.16 0.00 0.00 0.00 175.10 174.49 3pcb s PRO 121 N -0.06 4.46 0.06 2.72 0.05 -1.26 0.13 135.00 141.10 3pcb s PRO 121 Ca 0.34 1.90 0.01 0.00 0.05 0.00 0.00 61.00 63.29 3pcb s PRO 121 Cb -0.19 -3.05 -0.04 0.00 0.05 0.00 0.00 34.50 31.27 3pcb s PRO 121 CO 0.19 0.02 0.18 -1.64 0.05 0.00 0.00 177.00 175.80 3pcb s MET 122 N -1.71 3.32 0.72 4.56 -1.94 0.49 -4.45 119.30 120.29 3pcb s MET 122 Ca 0.48 -0.50 -0.14 0.00 -1.71 0.00 0.00 55.69 53.83 3pcb s MET 122 Cb -0.33 -2.97 0.04 0.00 2.01 0.00 0.00 34.83 33.57 3pcb s MET 122 CO 0.43 0.60 1.14 0.00 -0.01 0.00 0.00 175.02 177.18 3pcb s ALA 123 N -1.48 2.23 0.14 3.03 0.00 -1.26 -4.12 121.76 120.29 3pcb s ALA 123 Ca 0.34 0.61 -0.35 0.00 0.00 0.00 0.00 51.96 52.56 3pcb s ALA 123 Cb -0.13 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 3pcb s ALA 123 CO 0.27 -1.68 1.32 -2.30 0.00 0.00 0.00 175.76 173.36 3pcb n PRO 124 N -2.86 1.37 -3.63 0.00 -0.02 -1.26 -4.86 135.00 123.73 3pcb n PRO 124 Ca 0.11 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3pcb n PRO 124 Cb 0.52 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3pcb n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcb s HIS 125 N 0.26 -0.22 -0.10 6.00 -3.43 -1.26 -4.40 115.29 112.14 3pcb s HIS 125 Ca 0.78 -0.05 0.03 0.00 -0.80 0.00 0.00 55.06 55.03 3pcb s HIS 125 Cb -0.86 0.26 -0.00 0.00 -1.43 0.00 0.00 32.58 30.55 3pcb s HIS 125 CO 0.48 -0.68 -0.22 0.42 -2.00 0.00 0.00 174.74 172.73 3pcb s ILE 126 N -3.59 2.25 -0.05 -5.38 1.01 -0.63 -4.61 121.20 110.20 3pcb s ILE 126 Ca 0.02 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 3pcb s ILE 126 Cb 0.01 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3pcb s ILE 126 CO -0.10 0.55 0.69 0.20 0.00 0.00 0.00 174.94 176.28 3pcb s ASN 127 N 0.32 7.00 0.02 3.58 0.01 0.11 -0.72 114.94 125.25 3pcb s ASN 127 Ca -0.17 1.20 0.07 0.00 -0.71 0.00 0.00 52.86 53.25 3pcb s ASN 127 Cb -0.17 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3pcb s ASN 127 CO 0.08 -0.08 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.76 3pcb s ILE 128 N 0.61 1.60 -0.09 0.60 1.01 -0.46 -0.88 121.20 123.59 3pcb s ILE 128 Ca 0.37 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3pcb s ILE 128 Cb -0.18 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.93 3pcb s ILE 128 CO 0.18 0.27 -0.14 -0.44 0.00 0.00 0.00 174.94 174.81 3pcb s SER 129 N -0.93 2.19 -0.11 3.58 0.01 -0.62 -1.37 113.70 116.44 3pcb s SER 129 Ca 0.07 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3pcb s SER 129 Cb -0.08 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 3pcb s SER 129 CO 0.01 0.03 -0.17 -0.22 0.41 0.00 0.00 173.24 173.30 3pcb s LEU 130 N 0.82 2.48 0.04 2.44 2.96 0.56 -1.61 118.68 126.36 3pcb s LEU 130 Ca -0.11 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3pcb s LEU 130 Cb -0.15 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3pcb s LEU 130 CO 0.02 0.18 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.71 3pcb s PHE 131 N 0.22 1.36 -0.16 5.38 0.40 -0.25 -1.55 117.98 123.39 3pcb s PHE 131 Ca -0.11 -0.35 -0.35 0.00 -0.60 0.00 0.00 56.93 55.52 3pcb s PHE 131 Cb -0.16 -0.81 0.15 0.00 0.51 0.00 0.00 43.02 42.71 3pcb s PHE 131 CO 0.06 0.05 1.38 0.00 0.70 0.00 0.00 175.22 177.40 3pcb s ALA 132 N -0.81 -2.33 0.31 5.36 0.00 -1.26 -0.46 121.76 122.57 3pcb s ALA 132 Ca 0.03 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3pcb s ALA 132 Cb -0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3pcb s ALA 132 CO 0.01 -0.84 1.30 -0.98 0.00 0.00 0.00 175.76 175.26 3pcb s ARG 133 N -2.12 4.37 0.00 0.00 1.70 -1.25 -1.84 118.95 119.81 3pcb s ARG 133 Ca 0.13 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 3pcb s ARG 133 Cb 0.04 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 3pcb s ARG 133 CO -0.05 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 3pcb n GLY 134 N 1.13 0.99 3.28 3.88 0.00 -1.26 -4.97 105.19 108.24 3pcb n GLY 134 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3pcb n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcb s ILE 135 N -2.25 3.95 0.15 -0.61 1.01 -0.77 -4.98 121.20 117.70 3pcb s ILE 135 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3pcb s ILE 135 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3pcb s ILE 135 CO 0.00 -0.26 1.48 0.78 0.00 0.00 0.00 174.94 176.95 3pcb h ASN 136 N 8.27 0.98 -3.61 3.58 2.35 -1.90 -3.33 115.58 121.92 3pcb h ASN 136 Ca -0.23 -0.45 -0.36 0.00 -0.55 0.00 0.00 56.30 54.71 3pcb h ASN 136 Cb 1.08 -0.28 -0.32 0.00 0.05 0.00 0.00 38.32 38.86 3pcb h ASN 136 CO 0.64 1.25 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.40 3pcb s ILE 137 N -4.38 0.38 0.72 2.81 2.07 -1.26 -2.97 121.20 118.58 3pcb s ILE 137 Ca -0.11 -0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 58.88 3pcb s ILE 137 Cb 0.11 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 3pcb s ILE 137 CO 0.88 0.16 0.81 0.00 -1.91 0.00 0.00 174.94 174.89 3pcb n HIS 138 N 3.72 0.15 -4.11 3.50 1.44 -1.26 -4.99 115.22 113.67 3pcb n HIS 138 Ca -0.22 0.38 -0.34 0.00 -2.01 0.00 0.00 57.72 55.52 3pcb n HIS 138 Cb 0.53 -2.02 -0.10 0.00 0.12 0.00 0.00 29.99 28.52 3pcb n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcb s LEU 139 N -2.14 3.72 -0.15 2.39 1.43 -0.59 -4.88 118.68 118.45 3pcb s LEU 139 Ca 0.70 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.78 3pcb s LEU 139 Cb -0.34 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3pcb s LEU 139 CO 0.53 0.20 0.16 -1.00 0.23 0.00 0.00 176.35 176.47 3pcb s HIS 140 N 0.18 3.51 0.33 0.29 3.76 -1.26 -0.32 115.29 121.77 3pcb s HIS 140 Ca 0.03 0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 55.37 3pcb s HIS 140 Cb -0.13 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3pcb s HIS 140 CO 0.01 0.51 0.47 -0.08 -0.85 0.00 0.00 174.74 174.79 3pcb s THR 141 N -0.32 0.00 0.03 1.30 -1.32 -0.47 -0.34 115.64 114.52 3pcb s THR 141 Ca 0.12 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.06 3pcb s THR 141 Cb -0.12 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.26 3pcb s THR 141 CO 0.02 0.00 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.20 3pcb s ARG 142 N -3.19 0.64 -0.20 7.08 0.52 -1.26 -1.35 118.95 121.19 3pcb s ARG 142 Ca 0.29 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3pcb s ARG 142 Cb -0.00 -0.55 -0.01 0.00 0.52 0.00 0.00 34.95 34.91 3pcb s ARG 142 CO 0.18 0.13 -0.05 -1.17 0.02 0.00 0.00 175.30 174.41 3pcb s LEU 143 N -1.10 2.98 0.33 2.53 0.20 0.10 -4.76 118.68 118.96 3pcb s LEU 143 Ca -0.03 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.55 3pcb s LEU 143 Cb -0.07 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 3pcb s LEU 143 CO 0.01 0.04 0.16 -0.31 -0.29 0.00 0.00 176.35 175.96 3pcb s TYR 144 N 1.10 2.75 -0.14 5.38 1.51 0.13 -1.61 117.35 126.47 3pcb s TYR 144 Ca 0.01 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3pcb s TYR 144 Cb -0.15 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 3pcb s TYR 144 CO -0.00 0.34 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.62 3pcb s PHE 145 N -2.39 2.88 0.47 2.71 0.40 -1.26 0.99 117.98 121.78 3pcb s PHE 145 Ca 0.38 -0.51 0.31 0.00 -0.60 0.00 0.00 56.93 56.51 3pcb s PHE 145 Cb -0.03 -1.87 1.69 0.00 0.51 0.00 0.00 43.02 43.31 3pcb s PHE 145 CO 0.23 -0.14 2.16 0.38 0.70 0.00 0.00 175.22 178.55 3pcb h ASP 146 N 6.65 0.00 -0.20 1.36 2.03 -1.47 -1.98 116.42 122.82 3pcb h ASP 146 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3pcb h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3pcb h ASP 146 CO 0.58 0.06 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 3pcb n ASP 147 N -3.56 2.08 -1.75 4.15 5.68 -1.26 -3.69 116.55 118.20 3pcb n ASP 147 Ca -0.02 -2.20 -0.11 0.00 -0.50 0.00 0.00 54.79 51.96 3pcb n ASP 147 Cb 0.18 -0.43 0.07 0.00 -1.14 0.00 0.00 41.12 39.81 3pcb n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcb n GLU 148 N 0.19 2.59 -0.20 0.11 -0.58 -0.74 -4.88 120.64 117.14 3pcb n GLU 148 Ca 0.08 -3.71 -0.02 0.00 -0.42 0.00 0.00 57.16 53.10 3pcb n GLU 148 Cb 0.43 -1.86 0.05 0.00 -0.57 0.00 0.00 31.44 29.49 3pcb n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcb h ALA 149 N 1.87 0.34 -0.07 0.62 0.00 -1.75 0.15 119.26 120.41 3pcb h ALA 149 Ca 0.16 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.32 3pcb h ALA 149 Cb 1.39 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3pcb h ALA 149 CO 0.44 -0.46 -0.07 1.96 0.00 0.00 0.00 179.25 181.11 3pcb h GLN 150 N -0.03 -0.09 -0.66 0.00 4.20 -1.93 -0.18 115.11 116.41 3pcb h GLN 150 Ca 0.28 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.92 3pcb h GLN 150 Cb 0.47 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3pcb h GLN 150 CO -0.63 -0.06 0.12 0.00 -0.67 0.00 0.00 178.83 177.58 3pcb h ALA 151 N 0.96 0.95 -0.78 3.87 0.00 -1.81 -2.94 119.26 119.51 3pcb h ALA 151 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3pcb h ALA 151 Cb 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3pcb h ALA 151 CO -0.13 0.66 0.49 -0.91 0.00 0.00 0.00 179.25 179.35 3pcb h ASN 152 N 1.02 0.92 0.11 0.00 2.35 -0.46 -1.60 115.58 117.92 3pcb h ASN 152 Ca 0.20 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3pcb h ASN 152 Cb 0.42 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3pcb h ASN 152 CO 0.01 0.70 -0.07 0.00 -1.65 0.00 0.00 177.43 176.42 3pcb h ALA 153 N 1.26 1.67 -0.02 -0.83 0.00 -0.85 -2.74 119.26 117.75 3pcb h ALA 153 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3pcb h ALA 153 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3pcb h ALA 153 CO -0.06 0.09 -0.15 1.63 0.00 0.00 0.00 179.25 180.76 3pcb n LYS 154 N -4.14 1.69 -1.69 0.00 5.02 -0.73 -4.94 118.16 113.36 3pcb n LYS 154 Ca -0.03 -1.40 -0.42 0.00 -2.02 0.00 0.00 58.31 54.44 3pcb n LYS 154 Cb 0.16 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3pcb n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcb h PRO 156 N 8.88 0.00 0.00 0.00 0.13 -1.92 -0.95 132.00 138.14 3pcb h PRO 156 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3pcb h PRO 156 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3pcb h PRO 156 CO 0.95 0.05 -0.14 0.28 -0.23 0.00 0.00 178.00 178.91 3pcb h VAL 157 N 0.00 0.82 -0.95 1.56 2.07 -1.94 -3.26 116.25 114.55 3pcb h VAL 157 Ca -0.00 -1.65 0.15 0.00 0.82 0.00 0.00 66.70 66.02 3pcb h VAL 157 Cb 0.15 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 3pcb h VAL 157 CO 0.01 0.28 0.60 0.25 0.02 0.00 0.00 177.57 178.73 3pcb h LEU 158 N -1.00 0.74 -0.02 2.57 5.85 -1.87 0.47 115.31 122.06 3pcb h LEU 158 Ca -0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3pcb h LEU 158 Cb 0.56 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3pcb h LEU 158 CO -0.02 0.36 0.00 0.59 -0.34 0.00 0.00 178.44 179.03 3pcb n ASN 159 N -4.61 0.01 0.13 1.25 3.02 -0.37 -2.06 115.26 112.63 3pcb n ASN 159 Ca 0.19 0.50 0.13 0.00 -0.03 0.00 0.00 54.58 55.37 3pcb n ASN 159 Cb 0.47 -0.51 0.35 0.00 -0.61 0.00 0.00 39.78 39.49 3pcb n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcb h LEU 160 N 0.00 0.00 -8.64 3.41 3.38 -0.93 -3.42 115.31 109.11 3pcb h LEU 160 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3pcb h LEU 160 Cb 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3pcb h LEU 160 CO 0.00 0.00 0.76 -0.63 0.09 0.00 0.00 178.44 178.66 3pcb s ILE 161 N -3.13 4.28 0.18 1.22 1.01 -0.88 -4.94 121.20 118.95 3pcb s ILE 161 Ca 0.10 0.84 -0.23 0.00 0.00 0.00 0.00 60.65 61.36 3pcb s ILE 161 Cb 0.11 -4.57 0.08 0.00 0.01 0.00 0.00 42.46 38.09 3pcb s ILE 161 CO 0.61 -1.04 1.58 -0.33 0.00 0.00 0.00 174.94 175.76 3pcb h GLU 162 N 9.26 -0.19 -5.16 2.79 5.08 -1.87 -3.39 114.58 121.11 3pcb h GLU 162 Ca -0.24 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.47 3pcb h GLU 162 Cb 1.07 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 3pcb h GLU 162 CO 1.10 -0.12 -0.07 -0.65 -1.00 0.00 0.00 179.01 178.27 3pcb s GLN 163 N -5.92 3.41 0.43 2.33 -1.52 -1.26 -4.96 119.66 112.17 3pcb s GLN 163 Ca -0.14 -0.38 0.24 0.00 -1.95 0.00 0.00 55.36 53.13 3pcb s GLN 163 Cb 0.15 -3.88 1.24 0.00 -0.22 0.00 0.00 33.01 30.30 3pcb s GLN 163 CO 0.68 -0.77 1.74 -1.35 -0.25 0.00 0.00 175.29 175.34 3pcb h PRO 164 N 8.62 0.26 0.00 2.91 0.11 -1.98 0.65 132.00 142.57 3pcb h PRO 164 Ca -0.27 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 3pcb h PRO 164 Cb 1.12 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3pcb h PRO 164 CO 0.80 0.17 -0.22 1.96 -0.21 0.00 0.00 178.00 180.51 3pcb h GLN 165 N 0.27 0.00 0.00 1.05 7.50 -1.95 -2.35 115.11 119.63 3pcb h GLN 165 Ca 0.64 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.67 3pcb h GLN 165 Cb 1.85 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.36 3pcb h GLN 165 CO -0.28 0.22 -0.57 0.00 -1.50 0.00 0.00 178.83 176.69 3pcb h ARG 166 N 0.00 0.00 -0.17 1.46 3.08 -0.08 -3.10 114.38 115.57 3pcb h ARG 166 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3pcb h ARG 166 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3pcb h ARG 166 CO 0.03 0.57 -0.21 0.00 -1.07 0.00 0.00 179.97 179.29 3pcb h ARG 167 N 0.00 0.29 0.00 0.04 3.08 -1.34 -2.63 114.38 113.82 3pcb h ARG 167 Ca -0.01 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3pcb h ARG 167 Cb 1.09 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3pcb h ARG 167 CO 0.07 0.50 -0.02 0.93 -1.07 0.00 0.00 179.97 180.39 3pcb h GLU 168 N 0.27 0.00 0.00 0.04 5.08 -1.56 -1.97 114.58 116.44 3pcb h GLU 168 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3pcb h GLU 168 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3pcb h GLU 168 CO 0.04 0.02 0.00 1.79 -1.00 0.00 0.00 179.01 179.85 3pcb h THR 169 N 0.00 0.00 -0.11 1.13 1.35 -1.61 -2.70 112.91 110.96 3pcb h THR 169 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3pcb h THR 169 Cb 0.20 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3pcb h THR 169 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3pcb n LEU 170 N -3.06 2.27 -4.51 3.87 4.77 -0.74 -4.85 117.00 114.75 3pcb n LEU 170 Ca 0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 3pcb n LEU 170 Cb 0.28 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3pcb n LEU 170 CO 0.26 0.42 -0.00 -0.63 -1.33 0.00 0.00 177.39 176.11 3pcb s ILE 171 N -1.87 5.19 0.30 -0.08 1.01 -1.02 -0.70 121.20 124.03 3pcb s ILE 171 Ca 0.34 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3pcb s ILE 171 Cb 0.20 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 3pcb s ILE 171 CO 0.31 -0.19 1.12 0.00 0.00 0.00 0.00 174.94 176.18 3pcb s ALA 172 N 1.92 3.39 -0.23 9.38 0.00 0.28 -4.81 121.76 131.68 3pcb s ALA 172 Ca 0.09 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3pcb s ALA 172 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3pcb s ALA 172 CO 0.12 -0.23 0.42 0.15 0.00 0.00 0.00 175.76 176.22 3pcb s LYS 173 N -1.57 4.11 0.21 0.00 1.02 -0.68 -1.19 119.74 121.64 3pcb s LYS 173 Ca 0.46 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.34 3pcb s LYS 173 Cb -0.32 -3.60 -0.09 0.00 -0.52 0.00 0.00 37.83 33.31 3pcb s LYS 173 CO 0.41 -0.18 1.22 0.50 -0.92 0.00 0.00 175.35 176.38 3pcb s ARG 174 N 1.75 4.48 0.00 1.68 3.52 -1.26 -0.75 118.95 128.38 3pcb s ARG 174 Ca 0.18 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 3pcb s ARG 174 Cb -0.15 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3pcb s ARG 174 CO 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 175.30 174.49 3pcb s GLU 176 N -1.32 0.02 -0.21 0.00 2.12 -1.26 -1.68 118.70 116.37 3pcb s GLU 176 Ca 0.00 0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.34 3pcb s GLU 176 Cb 0.00 -0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.40 3pcb s GLU 176 CO 0.00 -0.01 -0.04 0.08 -0.54 0.00 0.00 175.26 174.75 3pcb s VAL 177 N 0.09 1.26 -1.30 3.70 1.01 0.80 -4.71 120.40 121.26 3pcb s VAL 177 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3pcb s VAL 177 Cb -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3pcb s VAL 177 CO -0.00 -0.07 0.76 0.47 0.00 0.00 0.00 175.10 176.26 3pcb n ASP 178 N 4.78 -1.46 -3.71 3.32 9.92 -1.26 -1.45 116.55 126.69 3pcb n ASP 178 Ca -0.12 -0.78 -0.28 0.00 -0.53 0.00 0.00 54.79 53.08 3pcb n ASP 178 Cb 0.45 -4.25 0.00 0.00 -0.64 0.00 0.00 41.12 36.69 3pcb n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pcb n GLY 179 N -1.50 -0.48 3.23 0.44 0.00 -1.26 -4.97 105.19 100.64 3pcb n GLY 179 Ca -0.29 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3pcb n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcb s LYS 180 N -6.39 1.66 0.07 1.61 2.47 -0.53 -5.10 119.74 113.53 3pcb s LYS 180 Ca 0.56 -0.78 -0.31 0.00 -1.56 0.00 0.00 55.97 53.88 3pcb s LYS 180 Cb -0.29 -1.64 -0.08 0.00 -1.46 0.00 0.00 37.83 34.37 3pcb s LYS 180 CO 0.69 0.44 1.54 0.99 0.16 0.00 0.00 175.35 179.17 3pcb s THR 181 N -0.54 3.19 0.05 3.43 2.01 -1.26 -0.14 115.64 122.37 3pcb s THR 181 Ca 0.08 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 3pcb s THR 181 Cb -0.08 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3pcb s THR 181 CO -0.00 0.01 -0.03 0.00 -0.69 0.00 0.00 174.62 173.91 3pcb s ALA 182 N 2.13 0.46 -0.03 7.40 0.00 -0.68 -1.40 121.76 129.64 3pcb s ALA 182 Ca 0.69 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3pcb s ALA 182 Cb -0.38 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.00 3pcb s ALA 182 CO 0.30 -0.33 -0.07 0.71 0.00 0.00 0.00 175.76 176.37 3pcb s TYR 183 N -3.52 0.80 -0.18 0.00 1.51 -0.32 0.21 117.35 115.85 3pcb s TYR 183 Ca 0.03 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3pcb s TYR 183 Cb 0.05 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3pcb s TYR 183 CO -0.08 -0.13 0.04 0.50 -1.11 0.00 0.00 175.55 174.76 3pcb s ARG 184 N 0.48 3.89 -0.34 -0.62 3.52 0.08 -2.14 118.95 123.81 3pcb s ARG 184 Ca -0.07 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3pcb s ARG 184 Cb -0.11 -3.14 0.12 0.00 -1.56 0.00 0.00 34.95 30.26 3pcb s ARG 184 CO 0.00 0.25 0.16 0.12 -0.81 0.00 0.00 175.30 175.03 3pcb s PHE 185 N 0.40 1.22 0.14 5.12 5.36 -0.38 -1.68 117.98 128.17 3pcb s PHE 185 Ca 0.01 -1.65 -0.15 0.00 -0.96 0.00 0.00 56.93 54.18 3pcb s PHE 185 Cb -0.13 -1.38 -0.07 0.00 -0.34 0.00 0.00 43.02 41.10 3pcb s PHE 185 CO 0.01 -0.84 0.55 -0.51 -1.46 0.00 0.00 175.22 172.98 3pcb s ASP 186 N 1.35 6.85 -0.16 6.13 1.01 -1.26 -4.10 116.67 126.48 3pcb s ASP 186 Ca 0.13 1.10 -0.01 0.00 0.71 0.00 0.00 52.55 54.47 3pcb s ASP 186 Cb -0.20 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3pcb s ASP 186 CO -0.17 0.12 -0.10 -0.63 0.21 0.00 0.00 175.17 174.60 3pcb s ILE 187 N -1.44 3.16 -0.35 0.77 1.01 -0.11 -4.96 121.20 119.28 3pcb s ILE 187 Ca 0.37 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3pcb s ILE 187 Cb -0.15 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.02 3pcb s ILE 187 CO 0.19 0.49 0.09 -0.13 0.00 0.00 0.00 174.94 175.59 3pcb s ARG 188 N 0.75 2.34 0.26 2.79 0.52 -1.26 -0.78 118.95 123.56 3pcb s ARG 188 Ca -0.04 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.70 3pcb s ARG 188 Cb -0.15 -3.38 0.32 0.00 0.52 0.00 0.00 34.95 32.26 3pcb s ARG 188 CO 0.02 -0.78 1.83 0.82 0.02 0.00 0.00 175.30 177.20 3pcb h ILE 189 N 6.36 1.24 -3.01 1.52 2.04 -1.25 -0.23 117.51 124.17 3pcb h ILE 189 Ca -0.19 -0.75 -0.12 0.00 1.00 0.00 0.00 64.86 64.80 3pcb h ILE 189 Cb 1.06 0.44 -0.21 0.00 -0.74 0.00 0.00 36.82 37.38 3pcb h ILE 189 CO 0.61 0.30 -0.28 -1.58 0.00 0.00 0.00 178.15 177.20 3pcb s GLN 190 N -5.44 0.63 0.40 2.37 0.74 -1.26 -4.74 119.66 112.37 3pcb s GLN 190 Ca -0.11 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.20 3pcb s GLN 190 Cb 0.16 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.55 3pcb s GLN 190 CO 0.81 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 3pcb n GLY 191 N 1.49 0.14 3.67 2.59 0.00 -1.26 -4.06 105.19 107.76 3pcb n GLY 191 Ca -0.20 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3pcb n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 192 N 0.00 4.16 -0.79 1.61 2.12 -1.26 -1.65 118.70 122.89 3pcb s GLU 192 Ca 0.00 2.49 0.00 0.00 0.36 0.00 0.00 54.97 57.82 3pcb s GLU 192 Cb 0.00 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.45 3pcb s GLU 192 CO 0.00 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 3pcb n GLY 193 N 4.33 0.77 3.64 -1.50 0.00 -1.26 -4.94 105.19 106.23 3pcb n GLY 193 Ca 0.18 -0.66 -0.48 0.00 0.00 0.00 0.00 46.02 45.06 3pcb n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcb n GLU 194 N -2.54 1.79 -2.22 1.61 2.13 -0.66 -4.61 120.64 116.14 3pcb n GLU 194 Ca -0.08 0.64 -0.40 0.00 0.66 0.00 0.00 57.16 57.99 3pcb n GLU 194 Cb 0.33 -2.37 -0.02 0.00 0.27 0.00 0.00 31.44 29.65 3pcb n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcb s THR 195 N 0.74 2.96 0.13 6.31 2.01 -0.10 -4.97 115.64 122.72 3pcb s THR 195 Ca 0.81 0.91 -0.31 0.00 0.31 0.00 0.00 61.69 63.41 3pcb s THR 195 Cb -0.78 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 3pcb s THR 195 CO 0.41 0.17 1.34 -0.69 -0.69 0.00 0.00 174.62 175.16 3pcb s VAL 196 N -1.23 3.39 -0.03 3.82 1.01 -1.26 -4.95 120.40 121.14 3pcb s VAL 196 Ca 0.51 1.03 0.07 0.00 0.00 0.00 0.00 61.98 63.59 3pcb s VAL 196 Cb -0.36 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3pcb s VAL 196 CO 0.46 0.10 -0.23 -0.36 0.00 0.00 0.00 175.10 175.07 3pcb s PHE 197 N 0.82 2.16 0.28 5.22 0.08 -1.26 -4.65 117.98 120.63 3pcb s PHE 197 Ca 0.61 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 57.23 3pcb s PHE 197 Cb -0.36 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3pcb s PHE 197 CO 0.32 -0.11 0.22 -0.06 -0.10 0.00 0.00 175.22 175.50 3pcb s PHE 198 N -0.36 3.03 -0.04 0.36 0.08 0.54 -4.99 117.98 116.59 3pcb s PHE 198 Ca 0.04 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.93 3pcb s PHE 198 Cb -0.11 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3pcb s PHE 198 CO 0.01 0.41 -0.08 0.34 -0.10 0.00 0.00 175.22 175.80 3pcb s ASP 199 N -3.89 1.24 0.00 1.36 2.15 -1.26 -4.26 116.67 112.01 3pcb s ASP 199 Ca 0.36 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.14 3pcb s ASP 199 Cb -0.07 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 3pcb s ASP 199 CO 0.25 0.01 0.00 2.22 -0.17 0.00 0.00 175.17 177.48