#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 4.36 -0.08 4.25 -1.09 -1.26 -5.04 121.20 122.34 3pcb s ILE 2 Ca 0.00 1.76 0.04 0.00 -2.23 0.00 0.00 60.65 60.22 3pcb s ILE 2 Cb 0.00 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3pcb s ILE 2 CO 0.00 0.17 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.07 3pcb s GLU 3 N 0.75 2.82 0.42 2.79 0.41 -1.26 -5.14 118.70 119.49 3pcb s GLU 3 Ca 0.54 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 54.32 3pcb s GLU 3 Cb -0.26 -2.33 0.07 0.00 -1.78 0.00 0.00 34.13 29.84 3pcb s GLU 3 CO 0.30 0.35 0.58 1.28 -0.49 0.00 0.00 175.26 177.27 3pcb n LEU 4 N 3.07 0.00 -4.77 1.80 4.32 -1.26 -5.06 117.00 115.10 3pcb n LEU 4 Ca -0.18 -1.58 -0.36 0.00 -0.02 0.00 0.00 56.01 53.88 3pcb n LEU 4 Cb 0.52 -0.33 -0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3pcb n LEU 4 CO 0.27 -0.70 0.80 -0.76 -1.22 0.00 0.00 177.39 175.77 3pcb s LEU 5 N 0.00 3.81 0.28 2.23 1.43 -1.26 -4.99 118.68 120.19 3pcb s LEU 5 Ca 0.42 2.21 -0.29 0.00 -1.03 0.00 0.00 54.13 55.44 3pcb s LEU 5 Cb -0.03 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 3pcb s LEU 5 CO 0.27 -1.15 1.00 -2.84 0.23 0.00 0.00 176.35 173.85 3pcb s PRO 6 N -3.14 4.69 0.43 1.29 0.02 -1.26 -5.02 135.00 132.01 3pcb s PRO 6 Ca 0.71 1.55 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 3pcb s PRO 6 Cb -0.25 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 31.08 3pcb s PRO 6 CO 0.29 0.33 1.28 -2.00 -0.33 0.00 0.00 177.00 176.57 3pcb s GLU 7 N -1.52 3.83 0.26 5.54 2.12 -1.26 -4.94 118.70 122.74 3pcb s GLU 7 Ca 0.45 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.56 3pcb s GLU 7 Cb -0.26 -2.63 -0.11 0.00 0.26 0.00 0.00 34.13 31.39 3pcb s GLU 7 CO 0.33 -0.58 1.58 0.99 -0.54 0.00 0.00 175.26 177.04 3pcb s THR 8 N -1.32 2.21 0.28 -1.70 2.01 -1.26 -4.93 115.64 110.93 3pcb s THR 8 Ca 0.60 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 3pcb s THR 8 Cb -0.36 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 3pcb s THR 8 CO 0.46 0.03 1.18 -2.84 -0.69 0.00 0.00 174.62 172.76 3pcb s PRO 9 N -0.16 4.52 0.70 4.92 0.02 -1.26 -5.03 135.00 138.71 3pcb s PRO 9 Ca 0.64 1.95 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 3pcb s PRO 9 Cb -0.47 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 30.91 3pcb s PRO 9 CO 0.44 0.03 1.09 0.45 -0.33 0.00 0.00 177.00 178.68 3pcb s SER 10 N -0.57 5.04 0.02 2.53 0.15 -1.26 -5.08 113.70 114.52 3pcb s SER 10 Ca 0.47 1.85 -0.08 0.00 0.70 0.00 0.00 55.95 58.89 3pcb s SER 10 Cb -0.35 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3pcb s SER 10 CO 0.44 -1.67 0.17 -1.10 1.20 0.00 0.00 173.24 172.27 3pcb s GLN 11 N -4.54 0.59 0.57 5.44 -1.52 -1.15 -4.89 119.66 114.16 3pcb s GLN 11 Ca 0.63 -0.53 -0.21 0.00 -1.95 0.00 0.00 55.36 53.30 3pcb s GLN 11 Cb -0.18 0.25 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 3pcb s GLN 11 CO 0.48 -0.16 1.32 -2.37 -0.25 0.00 0.00 175.29 174.31 3pcb n THR 12 N 1.04 4.04 0.24 -0.19 5.66 -1.15 -4.75 114.28 119.18 3pcb n THR 12 Ca -0.21 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.42 3pcb n THR 12 Cb 0.57 -1.60 0.56 0.00 -1.55 0.00 0.00 70.33 68.32 3pcb n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcb h ALA 13 N 1.20 1.05 -0.10 1.79 0.00 -1.75 -3.50 119.26 117.95 3pcb h ALA 13 Ca -0.51 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.28 3pcb h ALA 13 Cb 1.32 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3pcb h ALA 13 CO 0.56 0.19 -0.03 0.41 0.00 0.00 0.00 179.25 180.38 3pcb n GLY 14 N -0.00 -1.97 0.28 0.00 0.00 -1.26 -4.15 105.19 98.08 3pcb n GLY 14 Ca -0.00 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.04 0.00 -0.63 1.61 0.13 -1.93 -3.16 132.00 127.99 3pcb h PRO 15 Ca -0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 3pcb h PRO 15 Cb 0.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.10 3pcb h PRO 15 CO 0.00 0.05 0.15 0.66 -0.23 0.00 0.00 178.00 178.63 3pcb n TYR 16 N -3.23 2.14 0.02 1.56 4.01 -1.26 -4.60 117.16 115.79 3pcb n TYR 16 Ca -0.01 -1.04 0.22 0.00 -0.16 0.00 0.00 57.90 56.92 3pcb n TYR 16 Cb 0.27 -0.59 0.73 0.00 -0.31 0.00 0.00 39.34 39.44 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 2.94 0.49 -0.81 -0.72 3.04 -1.70 -2.07 116.25 117.42 3pcb h VAL 17 Ca 0.15 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.86 3pcb h VAL 17 Cb 2.11 0.65 -0.04 0.00 -2.01 0.00 0.00 31.29 32.00 3pcb h VAL 17 CO 0.60 0.00 0.53 0.45 -1.01 0.00 0.00 177.57 178.14 3pcb h HIS 18 N 0.00 1.00 -0.40 3.17 3.86 -1.85 -1.75 115.15 119.18 3pcb h HIS 18 Ca 0.25 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3pcb h HIS 18 Cb 1.19 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 3pcb h HIS 18 CO 0.00 0.62 0.27 -0.84 0.86 0.00 0.00 177.93 178.84 3pcb h ILE 19 N 1.07 1.03 0.04 2.45 3.07 -1.60 0.56 117.51 124.14 3pcb h ILE 19 Ca 0.30 -0.15 -0.34 0.00 1.55 0.00 0.00 64.86 66.22 3pcb h ILE 19 Cb -0.10 0.56 -0.04 0.00 -0.27 0.00 0.00 36.82 36.97 3pcb h ILE 19 CO -0.07 0.08 -1.96 0.61 -1.05 0.00 0.00 178.15 175.76 3pcb n GLY 20 N -1.50 -0.79 0.00 0.16 0.00 -0.92 -4.56 105.19 97.58 3pcb n GLY 20 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.18 0.42 -2.90 0.99 4.77 -0.71 -4.85 117.00 111.55 3pcb n LEU 21 Ca -0.27 -0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 54.89 3pcb n LEU 21 Cb 1.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.18 3pcb n LEU 21 CO 0.42 0.11 0.10 0.00 -1.33 0.00 0.00 177.39 176.69 3pcb n ALA 22 N -0.55 0.13 -0.11 -1.18 0.00 0.19 -4.98 120.51 114.02 3pcb n ALA 22 Ca 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 53.44 51.23 3pcb n ALA 22 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 3.32 -0.95 -0.26 0.00 4.07 -1.58 0.22 115.31 120.13 3pcb h LEU 23 Ca -0.04 0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.16 3pcb h LEU 23 Cb 1.03 0.46 -0.06 0.00 1.08 0.00 0.00 40.66 43.16 3pcb h LEU 23 CO 0.30 -0.30 -0.16 -0.08 -1.08 0.00 0.00 178.44 177.12 3pcb h GLU 24 N -0.23 -0.14 -0.90 1.13 4.81 -1.88 -0.99 114.58 116.39 3pcb h GLU 24 Ca 0.18 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3pcb h GLU 24 Cb 0.51 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 3pcb h GLU 24 CO -0.51 -0.09 0.54 0.00 -0.73 0.00 0.00 179.01 178.21 3pcb h ALA 25 N 1.02 1.31 0.00 2.92 0.00 -1.66 0.39 119.26 123.25 3pcb h ALA 25 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3pcb h ALA 25 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3pcb h ALA 25 CO -0.34 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3pcb n ALA 26 N -2.37 1.84 -2.76 0.00 0.00 0.68 -4.89 120.51 113.02 3pcb n ALA 26 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 3pcb n ALA 26 Cb 0.30 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 0.40 0.47 3.35 0.00 0.00 0.14 -4.96 105.19 104.59 3pcb n GLY 27 Ca 0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.06 2.75 0.29 1.61 0.01 -0.72 -5.04 114.94 110.79 3pcb s ASN 28 Ca 0.16 -0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 51.08 3pcb s ASN 28 Cb -0.07 -0.17 -0.12 0.00 0.41 0.00 0.00 41.25 41.30 3pcb s ASN 28 CO 0.20 -0.07 1.51 -0.81 -1.51 0.00 0.00 177.10 176.42 3pcb n PRO 29 N -0.00 2.47 -2.80 -0.60 -0.04 -1.26 -4.02 135.00 128.75 3pcb n PRO 29 Ca -0.11 0.88 -0.19 0.00 -0.04 0.00 0.00 63.50 64.04 3pcb n PRO 29 Cb 0.58 -2.61 0.03 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.19 2.78 0.59 0.52 -4.23 -1.26 -4.89 115.64 108.98 3pcb s THR 30 Ca 0.64 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3pcb s THR 30 Cb -0.54 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.39 3pcb s THR 30 CO 0.51 0.00 0.83 -0.13 -0.54 0.00 0.00 174.62 175.29 3pcb s ARG 31 N -4.60 2.28 0.23 3.99 0.52 -1.26 -5.00 118.95 115.11 3pcb s ARG 31 Ca 0.57 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.70 3pcb s ARG 31 Cb -0.10 -2.48 0.39 0.00 0.52 0.00 0.00 34.95 33.29 3pcb s ARG 31 CO 0.36 -0.92 1.72 -0.44 0.02 0.00 0.00 175.30 176.04 3pcb h ASP 32 N -0.05 0.16 -3.18 0.23 3.32 -2.07 -3.39 116.42 111.44 3pcb h ASP 32 Ca -0.39 0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 3pcb h ASP 32 Cb 1.29 0.12 -0.37 0.00 0.22 0.00 0.00 39.33 40.59 3pcb h ASP 32 CO 0.47 0.06 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.14 3pcb s GLN 33 N -6.05 1.66 0.13 3.56 -0.21 -1.26 -5.13 119.66 112.35 3pcb s GLN 33 Ca -0.13 -0.31 0.09 0.00 0.02 0.00 0.00 55.36 55.03 3pcb s GLN 33 Cb 0.20 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 3pcb s GLN 33 CO 0.75 -0.24 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.25 3pcb s GLU 34 N 1.61 1.25 -0.41 2.91 0.41 -1.26 -5.11 118.70 118.10 3pcb s GLU 34 Ca 0.04 -1.28 -0.16 0.00 -0.41 0.00 0.00 54.97 53.15 3pcb s GLU 34 Cb -0.13 -1.54 0.02 0.00 -1.78 0.00 0.00 34.13 30.70 3pcb s GLU 34 CO -0.08 0.35 0.38 0.42 -0.49 0.00 0.00 175.26 175.84 3pcb s ILE 35 N -1.34 5.16 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.09 3pcb s ILE 35 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3pcb s ILE 35 Cb -0.09 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3pcb s ILE 35 CO 0.06 -0.34 0.00 1.87 0.00 0.00 0.00 174.94 176.53 3pcb n TRP 36 N 5.43 0.00 0.51 3.97 -0.00 -1.26 -4.57 117.44 121.52 3pcb n TRP 36 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.44 3pcb n TRP 36 Cb 0.48 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.93 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 2.45 -4.06 5.87 6.94 -0.44 -2.00 115.26 124.00 3pcb n ASN 37 Ca 0.00 -2.25 -0.35 0.00 -0.02 0.00 0.00 54.58 51.96 3pcb n ASN 37 Cb 0.00 -0.46 -0.09 0.00 -2.36 0.00 0.00 39.78 36.88 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 -1.66 2.88 0.22 -3.83 6.06 -1.26 -0.29 118.95 121.06 3pcb s ARG 38 Ca 0.21 -3.04 -0.05 0.00 -2.50 0.00 0.00 55.73 50.34 3pcb s ARG 38 Cb 0.14 -3.78 0.19 0.00 0.06 0.00 0.00 34.95 31.57 3pcb s ARG 38 CO 0.08 -1.24 1.66 -0.07 -2.50 0.00 0.00 175.30 173.24 3pcb h LEU 39 N 6.23 0.85 -9.00 -0.88 4.07 -1.20 -3.45 115.31 111.93 3pcb h LEU 39 Ca 0.09 -0.27 -0.68 0.00 0.08 0.00 0.00 57.88 57.11 3pcb h LEU 39 Cb 0.85 -0.23 -0.21 0.00 1.08 0.00 0.00 40.66 42.15 3pcb h LEU 39 CO 0.78 0.98 -0.78 0.00 -1.08 0.00 0.00 178.44 178.34 3pcb s ALA 40 N -4.80 2.69 0.21 1.53 0.00 -1.16 -0.74 121.76 119.50 3pcb s ALA 40 Ca -0.10 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 3pcb s ALA 40 Cb 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 3pcb s ALA 40 CO 0.84 0.58 0.52 0.15 0.00 0.00 0.00 175.76 177.85 3pcb s LYS 41 N -1.34 3.78 0.30 0.00 1.02 0.55 -4.85 119.74 119.21 3pcb s LYS 41 Ca 0.15 0.23 0.14 0.00 0.02 0.00 0.00 55.97 56.51 3pcb s LYS 41 Cb -0.11 -2.69 1.04 0.00 -0.52 0.00 0.00 37.83 35.56 3pcb s LYS 41 CO 0.05 0.35 1.35 -2.30 -0.92 0.00 0.00 175.35 173.88 3pcb n PRO 42 N -0.06 -0.06 -0.50 -1.68 -0.02 -1.26 0.14 135.00 131.57 3pcb n PRO 42 Ca -0.00 1.20 0.03 0.00 -2.02 0.00 0.00 63.50 62.71 3pcb n PRO 42 Cb 0.52 -2.10 0.21 0.00 -0.02 0.00 0.00 33.50 32.11 3pcb n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3pcb n ASP 43 N -5.00 3.56 -4.75 2.55 5.75 -1.26 -4.88 116.55 112.52 3pcb n ASP 43 Ca 0.30 -2.52 -0.40 0.00 -0.01 0.00 0.00 54.79 52.16 3pcb n ASP 43 Cb 1.00 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.94 3.36 0.32 2.12 0.00 0.36 -5.02 121.76 120.95 3pcb s ALA 44 Ca 0.29 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3pcb s ALA 44 Cb 0.23 -3.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 3pcb s ALA 44 CO 0.08 0.08 1.25 -1.25 0.00 0.00 0.00 175.76 175.92 3pcb s PRO 45 N -0.19 4.44 0.00 0.00 0.04 -1.26 -4.90 135.00 133.12 3pcb s PRO 45 Ca 0.40 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3pcb s PRO 45 Cb -0.21 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3pcb s PRO 45 CO 0.25 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3pcb n GLY 46 N 0.91 2.46 3.62 0.56 0.00 -1.26 -4.44 105.19 107.05 3pcb n GLY 46 Ca -0.00 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 3.81 0.08 1.61 2.12 -1.26 -4.89 118.70 118.24 3pcb s GLU 47 Ca 0.00 1.27 -0.31 0.00 0.36 0.00 0.00 54.97 56.30 3pcb s GLU 47 Cb 0.00 -3.95 -0.07 0.00 0.26 0.00 0.00 34.13 30.37 3pcb s GLU 47 CO 0.00 -1.26 1.33 -1.01 -0.54 0.00 0.00 175.26 173.77 3pcb s HIS 48 N 4.82 3.26 0.13 5.30 3.76 -1.26 -1.20 115.29 130.10 3pcb s HIS 48 Ca 0.61 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 56.58 3pcb s HIS 48 Cb -0.18 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 3pcb s HIS 48 CO 0.27 -2.01 -0.01 0.96 -0.85 0.00 0.00 174.74 173.09 3pcb s ILE 49 N 1.27 0.54 -0.12 0.60 -4.36 0.16 -4.63 121.20 114.66 3pcb s ILE 49 Ca 0.62 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.10 3pcb s ILE 49 Cb -0.34 -1.91 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 3pcb s ILE 49 CO 0.29 -0.65 -0.19 -0.22 0.24 0.00 0.00 174.94 174.41 3pcb s LEU 50 N -3.09 2.32 -0.05 0.37 2.96 -0.65 -2.04 118.68 118.50 3pcb s LEU 50 Ca 0.19 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3pcb s LEU 50 Cb 0.06 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3pcb s LEU 50 CO -0.00 0.14 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.34 3pcb s LEU 51 N 0.47 3.17 0.07 -0.68 1.43 -0.11 -1.80 118.68 121.22 3pcb s LEU 51 Ca -0.13 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 3pcb s LEU 51 Cb -0.17 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3pcb s LEU 51 CO 0.05 0.35 0.36 -1.48 0.23 0.00 0.00 176.35 175.86 3pcb s LEU 52 N -0.92 0.62 -0.04 1.79 -0.00 -0.97 -1.05 118.68 118.12 3pcb s LEU 52 Ca 0.13 -0.19 -0.30 0.00 -0.00 0.00 0.00 54.13 53.77 3pcb s LEU 52 Cb -0.11 1.60 0.11 0.00 -0.00 0.00 0.00 46.19 47.79 3pcb s LEU 52 CO 0.02 -0.71 1.32 -0.83 -0.00 0.00 0.00 176.35 176.16 3pcb s GLY 53 N -2.30 -0.29 0.21 -3.48 0.00 -0.91 -1.36 107.32 99.19 3pcb s GLY 53 Ca -0.02 0.40 0.09 0.00 0.00 0.00 0.00 44.72 45.19 3pcb s GLY 53 CO -0.06 3.25 -0.17 1.20 0.00 0.00 0.00 173.10 177.32 3pcb s GLN 54 N -2.13 1.41 -0.10 2.90 -0.21 -1.26 -1.31 119.66 118.96 3pcb s GLN 54 Ca 0.23 -1.58 0.04 0.00 0.02 0.00 0.00 55.36 54.06 3pcb s GLN 54 Cb 0.03 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.68 3pcb s GLN 54 CO -0.03 0.25 -0.23 0.08 -2.12 0.00 0.00 175.29 173.25 3pcb s VAL 55 N -2.57 1.95 -0.01 1.09 1.01 -1.26 -1.30 120.40 119.31 3pcb s VAL 55 Ca 0.22 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3pcb s VAL 55 Cb -0.03 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3pcb s VAL 55 CO 0.09 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.21 3pcb s TYR 56 N 0.38 2.50 0.80 5.22 1.51 0.04 -0.40 117.35 127.40 3pcb s TYR 56 Ca -0.18 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.50 3pcb s TYR 56 Cb -0.18 -1.52 0.14 0.00 -0.11 0.00 0.00 41.96 40.30 3pcb s TYR 56 CO 0.08 0.12 1.11 0.16 -1.11 0.00 0.00 175.55 175.91 3pcb s ASP 57 N -0.91 3.98 0.60 2.29 1.47 0.19 -1.45 116.67 122.83 3pcb s ASP 57 Ca 0.12 -0.06 0.31 0.00 1.18 0.00 0.00 52.55 54.11 3pcb s ASP 57 Cb -0.10 -0.24 1.86 0.00 -0.34 0.00 0.00 42.92 44.09 3pcb s ASP 57 CO 0.01 -2.13 2.22 1.23 0.68 0.00 0.00 175.17 177.18 3pcb h GLY 58 N -0.92 0.00 -1.52 2.12 0.00 -1.89 -1.32 103.07 99.54 3pcb h GLY 58 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3pcb h GLY 58 CO 0.42 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.66 3pcb n ASN 59 N -3.70 2.55 0.00 0.19 3.02 -1.26 -4.74 115.26 111.31 3pcb n ASN 59 Ca -0.02 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3pcb n ASN 59 Cb 0.16 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.31 0.54 3.84 7.41 0.00 -0.50 -5.06 105.19 112.74 3pcb n GLY 60 Ca 0.17 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 3.53 0.41 1.61 3.76 -1.26 -4.78 115.29 116.56 3pcb s HIS 61 Ca 0.00 1.18 -0.25 0.00 -0.15 0.00 0.00 55.06 55.84 3pcb s HIS 61 Cb 0.00 -2.48 -0.08 0.00 1.11 0.00 0.00 32.58 31.13 3pcb s HIS 61 CO 0.00 0.28 1.19 -0.51 -0.85 0.00 0.00 174.74 174.85 3pcb s LEU 62 N -2.38 4.17 -0.49 0.89 1.43 -1.26 -0.64 118.68 120.40 3pcb s LEU 62 Ca 0.45 2.39 -0.14 0.00 -1.03 0.00 0.00 54.13 55.80 3pcb s LEU 62 Cb -0.14 -4.03 0.10 0.00 0.03 0.00 0.00 46.19 42.15 3pcb s LEU 62 CO 0.20 -0.74 0.41 -0.69 0.23 0.00 0.00 176.35 175.76 3pcb s VAL 63 N -1.40 5.01 -1.36 -1.59 1.01 0.47 -4.84 120.40 117.70 3pcb s VAL 63 Ca 0.58 -1.33 0.14 0.00 0.00 0.00 0.00 61.98 61.37 3pcb s VAL 63 Cb -0.32 -4.11 0.52 0.00 0.00 0.00 0.00 36.38 32.48 3pcb s VAL 63 CO 0.40 -0.69 1.39 0.54 0.00 0.00 0.00 175.10 176.73 3pcb n ARG 64 N 5.16 2.88 -1.09 2.72 1.74 -1.26 -4.24 116.66 122.57 3pcb n ARG 64 Ca -0.12 -2.05 0.04 0.00 -0.77 0.00 0.00 57.85 54.95 3pcb n ARG 64 Cb 0.42 -1.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.80 1.01 -4.85 0.55 5.68 -1.26 -3.81 116.55 114.67 3pcb n ASP 65 Ca 0.19 -2.38 -0.32 0.00 -0.50 0.00 0.00 54.79 51.78 3pcb n ASP 65 Cb 0.65 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 40.27 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 -2.07 6.58 -0.07 -1.12 1.04 -1.26 -4.60 113.70 112.21 3pcb s SER 66 Ca 0.28 1.47 0.02 0.00 0.48 0.00 0.00 55.95 58.20 3pcb s SER 66 Cb 0.31 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.98 3pcb s SER 66 CO -0.11 -0.56 -0.11 0.12 0.98 0.00 0.00 173.24 173.56 3pcb s PHE 67 N -2.59 1.39 0.07 5.02 5.36 -0.09 -2.67 117.98 124.47 3pcb s PHE 67 Ca 0.57 -0.53 0.08 0.00 -0.96 0.00 0.00 56.93 56.09 3pcb s PHE 67 Cb -0.10 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 3pcb s PHE 67 CO 0.32 -0.30 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.07 3pcb s LEU 68 N 0.82 2.23 -0.04 6.12 1.02 -0.32 -0.75 118.68 127.76 3pcb s LEU 68 Ca -0.12 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.48 3pcb s LEU 68 Cb -0.15 -0.92 -0.00 0.00 0.02 0.00 0.00 46.19 45.14 3pcb s LEU 68 CO 0.02 0.11 -0.16 -1.61 0.02 0.00 0.00 176.35 174.72 3pcb s GLU 69 N -1.52 1.68 0.15 1.70 2.02 -0.48 -1.39 118.70 120.85 3pcb s GLU 69 Ca 0.07 -0.58 0.10 0.00 0.02 0.00 0.00 54.97 54.58 3pcb s GLU 69 Cb -0.09 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 3pcb s GLU 69 CO 0.03 0.24 -0.24 0.14 0.02 0.00 0.00 175.26 175.44 3pcb s VAL 70 N 0.03 2.15 -0.10 2.63 -7.23 -0.26 -1.10 120.40 116.52 3pcb s VAL 70 Ca -0.03 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 3pcb s VAL 70 Cb -0.11 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.94 3pcb s VAL 70 CO 0.02 -0.03 0.21 0.86 -0.31 0.00 0.00 175.10 175.86 3pcb s TRP 71 N -1.33 -0.30 0.05 2.82 -0.11 -0.40 -2.10 118.94 117.57 3pcb s TRP 71 Ca 0.15 0.77 -0.16 0.00 1.22 0.00 0.00 56.10 58.08 3pcb s TRP 71 Cb -0.09 -0.10 0.03 0.00 -1.50 0.00 0.00 33.47 31.81 3pcb s TRP 71 CO 0.07 -0.28 0.36 1.14 -4.62 0.00 0.00 176.95 173.61 3pcb s GLN 72 N 2.02 0.87 0.91 5.86 -2.07 -0.58 -0.46 119.66 126.21 3pcb s GLN 72 Ca -0.01 -0.45 -0.12 0.00 -1.82 0.00 0.00 55.36 52.96 3pcb s GLN 72 Cb -0.12 0.38 0.14 0.00 -1.09 0.00 0.00 33.01 32.32 3pcb s GLN 72 CO -0.07 -0.29 1.12 0.00 -1.32 0.00 0.00 175.29 174.72 3pcb s ALA 73 N -2.58 1.66 0.76 2.60 0.00 -1.26 -4.49 121.76 118.44 3pcb s ALA 73 Ca -0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3pcb s ALA 73 Cb -0.01 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 20.15 3pcb s ALA 73 CO -0.03 -2.31 1.06 0.16 0.00 0.00 0.00 175.76 174.64 3pcb s ASP 74 N -3.83 4.31 0.58 0.00 1.47 0.11 -4.39 116.67 114.91 3pcb s ASP 74 Ca 0.64 0.10 0.30 0.00 1.18 0.00 0.00 52.55 54.77 3pcb s ASP 74 Cb -0.16 -0.54 1.43 0.00 -0.34 0.00 0.00 42.92 43.31 3pcb s ASP 74 CO 0.55 -1.91 1.82 0.00 0.68 0.00 0.00 175.17 176.30 3pcb h ALA 75 N -0.76 2.49 -0.24 2.11 0.00 -1.78 1.57 119.26 122.65 3pcb h ALA 75 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3pcb h ALA 75 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3pcb h ALA 75 CO 0.48 -0.99 0.00 0.09 0.00 0.00 0.00 179.25 178.83 3pcb n ASN 76 N -3.80 1.83 -2.16 0.00 3.02 -1.26 -3.87 115.26 109.02 3pcb n ASN 76 Ca 0.14 -1.82 -0.15 0.00 -0.03 0.00 0.00 54.58 52.72 3pcb n ASN 76 Cb 0.89 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.93 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 1.13 -0.07 3.41 7.41 0.00 0.52 -4.79 105.19 112.80 3pcb n GLY 77 Ca 0.15 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 2.34 -0.24 1.61 2.02 -1.24 -4.68 118.70 113.06 3pcb s GLU 78 Ca 0.25 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 3pcb s GLU 78 Cb -0.11 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 3pcb s GLU 78 CO 0.31 0.60 0.72 0.71 0.02 0.00 0.00 175.26 177.62 3pcb s TYR 79 N -0.69 3.30 -0.85 1.61 2.02 -1.26 0.04 117.35 121.52 3pcb s TYR 79 Ca 0.11 0.97 -0.15 0.00 -0.37 0.00 0.00 57.07 57.63 3pcb s TYR 79 Cb -0.10 -2.93 0.20 0.00 -0.40 0.00 0.00 41.96 38.72 3pcb s TYR 79 CO 0.00 -0.35 0.84 -0.65 -1.57 0.00 0.00 175.55 173.82 3pcb s GLN 80 N 2.61 3.60 0.18 -0.62 -1.52 -1.26 -4.91 119.66 117.73 3pcb s GLN 80 Ca 0.30 -2.31 0.06 0.00 -1.95 0.00 0.00 55.36 51.47 3pcb s GLN 80 Cb -0.15 -4.53 0.04 0.00 -0.22 0.00 0.00 33.01 28.15 3pcb s GLN 80 CO 0.08 -1.39 1.42 0.38 -0.25 0.00 0.00 175.29 175.53 3pcb h ASP 81 N 8.01 0.09 -1.62 5.90 2.03 -1.97 -3.24 116.42 125.62 3pcb h ASP 81 Ca 0.11 -0.08 -0.50 0.00 -0.73 0.00 0.00 57.03 55.83 3pcb h ASP 81 Cb 1.04 -0.03 -0.07 0.00 -0.83 0.00 0.00 39.33 39.44 3pcb h ASP 81 CO 0.83 0.88 1.19 0.00 -1.03 0.00 0.00 179.24 181.11 3pcb s ALA 82 N -3.17 2.42 0.03 4.15 0.00 -1.26 -4.95 121.76 118.98 3pcb s ALA 82 Ca -0.01 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 3pcb s ALA 82 Cb 0.11 -4.40 -0.06 0.00 0.00 0.00 0.00 23.12 18.76 3pcb s ALA 82 CO 0.81 -3.79 1.41 -0.47 0.00 0.00 0.00 175.76 173.72 3pcb s TYR 83 N 6.99 2.92 -0.19 0.00 6.14 -1.26 -5.01 117.35 126.94 3pcb s TYR 83 Ca 0.51 0.82 -0.15 0.00 0.64 0.00 0.00 57.07 58.89 3pcb s TYR 83 Cb -0.06 -3.68 0.05 0.00 0.42 0.00 0.00 41.96 38.69 3pcb s TYR 83 CO 0.06 -2.52 0.50 1.21 0.64 0.00 0.00 175.55 175.44 3pcb s ASN 84 N 1.73 -0.56 0.53 4.32 3.84 -1.26 -5.03 114.94 118.51 3pcb s ASN 84 Ca 0.65 1.03 0.34 0.00 0.21 0.00 0.00 52.86 55.09 3pcb s ASN 84 Cb -0.33 1.00 1.54 0.00 -0.55 0.00 0.00 41.25 42.90 3pcb s ASN 84 CO 0.28 -0.18 2.02 -0.07 -2.79 0.00 0.00 177.10 176.35 3pcb h LEU 85 N 5.92 0.00 0.07 3.21 3.38 -1.97 -2.55 115.31 123.38 3pcb h LEU 85 Ca -0.30 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.41 3pcb h LEU 85 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3pcb h LEU 85 CO 0.21 0.00 -1.29 -0.33 0.09 0.00 0.00 178.44 177.12 3pcb h GLU 86 N 0.00 0.15 -6.41 1.13 5.08 -1.99 -3.47 114.58 109.07 3pcb h GLU 86 Ca 0.00 -0.26 -0.59 0.00 -1.00 0.00 0.00 59.36 57.51 3pcb h GLU 86 Cb 0.37 0.10 0.16 0.00 0.50 0.00 0.00 28.75 29.88 3pcb h GLU 86 CO 0.00 1.05 -0.45 0.09 -1.00 0.00 0.00 179.01 178.70 3pcb n ASN 87 N -3.40 -1.17 0.08 1.42 3.02 -0.96 -4.85 115.26 109.40 3pcb n ASN 87 Ca -0.09 0.79 -0.09 0.00 -0.03 0.00 0.00 54.58 55.16 3pcb n ASN 87 Cb 1.01 -1.13 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.43 0.39 -3.83 5.41 0.00 -1.91 -3.44 119.26 116.32 3pcb h ALA 88 Ca -0.44 -0.83 -0.29 0.00 0.00 0.00 0.00 54.91 53.36 3pcb h ALA 88 Cb 1.40 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.81 3pcb h ALA 88 CO 0.48 1.07 -0.74 0.12 0.00 0.00 0.00 179.25 180.18 3pcb s PHE 89 N -2.90 0.29 -0.08 0.00 5.36 -1.26 0.21 117.98 119.60 3pcb s PHE 89 Ca -0.01 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 3pcb s PHE 89 Cb 0.10 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 3pcb s PHE 89 CO 0.83 -0.01 -0.15 -0.80 -1.46 0.00 0.00 175.22 173.63 3pcb s ASN 90 N -0.04 2.14 0.05 6.13 0.01 0.08 -4.95 114.94 118.37 3pcb s ASN 90 Ca 0.01 -0.37 0.19 0.00 -0.71 0.00 0.00 52.86 51.97 3pcb s ASN 90 Cb -0.02 -0.99 0.78 0.00 0.41 0.00 0.00 41.25 41.43 3pcb s ASN 90 CO -0.00 0.07 1.59 -1.20 -1.51 0.00 0.00 177.10 176.04 3pcb n SER 91 N 3.75 0.14 -4.30 -1.22 7.64 -1.22 -4.71 113.62 113.70 3pcb n SER 91 Ca -0.22 0.53 -0.29 0.00 1.01 0.00 0.00 58.87 59.91 3pcb n SER 91 Cb 0.52 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 3pcb n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3pcb s PHE 92 N -3.06 2.14 0.29 1.43 2.19 -1.26 -1.53 117.98 118.18 3pcb s PHE 92 Ca 0.08 -0.40 -0.11 0.00 0.33 0.00 0.00 56.93 56.82 3pcb s PHE 92 Cb 0.11 -1.30 0.01 0.00 -1.31 0.00 0.00 43.02 40.52 3pcb s PHE 92 CO 0.34 0.07 0.53 0.20 1.83 0.00 0.00 175.22 178.19 3pcb s GLY 93 N -1.04 0.69 0.01 13.12 0.00 -0.89 -4.83 107.32 114.37 3pcb s GLY 93 Ca 0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3pcb s GLY 93 CO 0.01 -0.64 0.09 0.50 0.00 0.00 0.00 173.10 173.06 3pcb s ARG 94 N -3.61 0.41 0.35 2.90 0.52 -0.85 -1.10 118.95 117.57 3pcb s ARG 94 Ca 0.23 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 3pcb s ARG 94 Cb -0.01 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.66 3pcb s ARG 94 CO 0.12 -0.09 0.73 -0.08 0.02 0.00 0.00 175.30 176.00 3pcb s THR 95 N -1.31 0.00 0.20 0.02 -1.32 -0.49 -1.33 115.64 111.41 3pcb s THR 95 Ca -0.14 -1.07 -0.23 0.00 -1.21 0.00 0.00 61.69 59.04 3pcb s THR 95 Cb -0.08 -2.65 0.05 0.00 -1.51 0.00 0.00 72.50 68.31 3pcb s THR 95 CO 0.01 0.00 0.66 0.00 -2.21 0.00 0.00 174.62 173.07 3pcb s ALA 96 N -2.78 -1.48 -0.05 11.08 0.00 -1.26 -1.17 121.76 126.11 3pcb s ALA 96 Ca 0.16 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 3pcb s ALA 96 Cb -0.05 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 3pcb s ALA 96 CO 0.11 -0.86 0.43 0.95 0.00 0.00 0.00 175.76 176.39 3pcb s THR 97 N -3.78 5.09 0.32 0.00 -4.23 -1.09 -4.15 115.64 107.80 3pcb s THR 97 Ca 0.05 0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 61.14 3pcb s THR 97 Cb -0.03 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.95 3pcb s THR 97 CO -0.06 0.48 1.53 0.35 -0.54 0.00 0.00 174.62 176.39 3pcb n THR 98 N 2.55 1.43 0.30 3.99 -2.24 -1.12 -4.42 114.28 114.78 3pcb n THR 98 Ca -0.11 -0.36 0.18 0.00 -2.27 0.00 0.00 64.05 61.49 3pcb n THR 98 Cb 0.52 -1.93 0.86 0.00 -2.10 0.00 0.00 70.33 67.68 3pcb n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcb h PHE 99 N 3.96 0.00 0.00 4.78 0.04 -1.95 0.14 116.94 123.92 3pcb h PHE 99 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3pcb h PHE 99 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3pcb h PHE 99 CO 0.56 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.87 3pcb n ASP 100 N -2.94 0.00 -0.21 2.17 5.75 -1.26 -4.69 116.55 115.37 3pcb n ASP 100 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.69 3pcb n ASP 100 Cb 0.19 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.33 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 0.88 -1.24 2.12 0.00 -1.98 -3.47 119.26 113.58 3pcb h ALA 101 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3pcb h ALA 101 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3pcb h ALA 101 CO 0.00 0.66 -0.08 0.41 0.00 0.00 0.00 179.25 180.25 3pcb n GLY 102 N -0.48 0.64 3.38 0.00 0.00 0.51 -4.91 105.19 104.32 3pcb n GLY 102 Ca 0.03 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.87 1.37 0.20 1.61 2.12 -1.26 -4.39 118.70 113.48 3pcb s GLU 103 Ca 0.05 -1.33 0.10 0.00 0.36 0.00 0.00 54.97 54.15 3pcb s GLU 103 Cb -0.02 -1.83 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 3pcb s GLU 103 CO 0.06 0.43 -0.14 1.67 -0.54 0.00 0.00 175.26 176.74 3pcb s TRP 104 N -1.10 2.51 0.03 5.30 1.48 -0.43 -2.79 118.94 123.93 3pcb s TRP 104 Ca 0.13 -0.27 0.00 0.00 -1.06 0.00 0.00 56.10 54.90 3pcb s TRP 104 Cb -0.10 -1.21 -0.03 0.00 -1.16 0.00 0.00 33.47 30.98 3pcb s TRP 104 CO 0.06 0.54 -0.04 0.95 -4.06 0.00 0.00 176.95 174.39 3pcb s THR 105 N -1.82 0.27 -0.11 0.66 -4.23 -1.26 -2.14 115.64 107.00 3pcb s THR 105 Ca 0.25 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 3pcb s THR 105 Cb -0.08 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.16 3pcb s THR 105 CO 0.14 -0.58 0.35 -0.22 -0.54 0.00 0.00 174.62 173.77 3pcb s LEU 106 N -1.82 0.68 -0.25 4.79 2.96 -0.21 -4.85 118.68 119.98 3pcb s LEU 106 Ca -0.09 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3pcb s LEU 106 Cb -0.06 1.24 0.03 0.00 0.50 0.00 0.00 46.19 47.90 3pcb s LEU 106 CO -0.02 -0.19 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.74 3pcb s HIS 107 N -0.13 3.07 0.00 5.38 3.76 0.60 -0.94 115.29 127.03 3pcb s HIS 107 Ca -0.03 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.27 3pcb s HIS 107 Cb -0.03 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3pcb s HIS 107 CO 0.01 -0.74 0.00 -2.37 -0.85 0.00 0.00 174.74 170.79 3pcb n THR 108 N 4.65 0.00 -4.40 1.30 5.66 -0.87 -0.73 114.28 119.90 3pcb n THR 108 Ca -0.16 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.63 3pcb n THR 108 Cb 0.47 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.15 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 -1.22 1.96 -0.12 1.08 -7.23 -1.26 -0.66 120.40 112.95 3pcb s VAL 109 Ca 0.00 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 57.61 3pcb s VAL 109 Cb 0.00 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3pcb s VAL 109 CO 0.00 -0.50 1.15 -0.75 -0.31 0.00 0.00 175.10 174.69 3pcb s LYS 110 N -3.61 4.32 0.41 4.82 2.20 -0.34 -4.86 119.74 122.68 3pcb s LYS 110 Ca 0.26 1.56 -0.26 0.00 -0.36 0.00 0.00 55.97 57.17 3pcb s LYS 110 Cb -0.01 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 3pcb s LYS 110 CO 0.10 -0.51 1.32 -1.25 -0.36 0.00 0.00 175.35 174.65 3pcb s PRO 111 N 2.64 3.94 0.91 4.03 0.04 -1.26 -4.06 135.00 141.24 3pcb s PRO 111 Ca 0.52 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 3pcb s PRO 111 Cb -0.21 -2.75 0.16 0.00 0.04 0.00 0.00 34.50 31.74 3pcb s PRO 111 CO 0.17 -0.53 1.27 0.20 0.04 0.00 0.00 177.00 178.15 3pcb s GLY 112 N -0.69 1.73 0.16 0.56 0.00 -0.44 -4.68 107.32 103.96 3pcb s GLY 112 Ca 0.57 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.99 3pcb s GLY 112 CO 0.50 -0.37 0.75 0.14 0.00 0.00 0.00 173.10 174.12 3pcb s VAL 113 N -3.79 4.42 0.10 1.40 1.01 -1.26 -4.43 120.40 117.86 3pcb s VAL 113 Ca 0.70 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.38 3pcb s VAL 113 Cb -0.06 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3pcb s VAL 113 CO 0.52 0.50 -0.18 0.68 0.00 0.00 0.00 175.10 176.62 3pcb s VAL 114 N -1.17 1.49 0.11 2.92 -7.23 -1.26 -4.53 120.40 110.73 3pcb s VAL 114 Ca 0.36 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 3pcb s VAL 114 Cb -0.22 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 3pcb s VAL 114 CO 0.25 -0.17 0.50 0.20 -0.31 0.00 0.00 175.10 175.57 3pcb s ASN 115 N -1.96 6.80 1.00 4.85 -0.87 -1.26 -0.46 114.94 123.03 3pcb s ASN 115 Ca 0.05 1.01 -0.16 0.00 -1.57 0.00 0.00 52.86 52.19 3pcb s ASN 115 Cb -0.09 -2.26 0.20 0.00 -0.02 0.00 0.00 41.25 39.08 3pcb s ASN 115 CO 0.04 0.16 1.24 0.54 -2.57 0.00 0.00 177.10 176.50 3pcb s ASN 116 N -1.60 2.79 0.47 -1.22 4.22 0.22 -4.87 114.94 114.95 3pcb s ASN 116 Ca 0.34 0.49 0.15 0.00 -2.14 0.00 0.00 52.86 51.70 3pcb s ASN 116 Cb -0.15 -0.69 1.12 0.00 1.28 0.00 0.00 41.25 42.81 3pcb s ASN 116 CO 0.18 -2.95 2.04 0.00 -2.04 0.00 0.00 177.10 174.33 3pcb h ALA 117 N -1.79 2.04 0.00 3.54 0.00 -1.99 -0.17 119.26 120.90 3pcb h ALA 117 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3pcb h ALA 117 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pcb h ALA 117 CO 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3pcb n ALA 118 N -2.54 2.61 -0.49 0.00 0.00 -1.26 -4.89 120.51 113.93 3pcb n ALA 118 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3pcb n ALA 118 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.05 0.75 3.75 0.00 0.00 -0.08 -5.07 105.19 105.60 3pcb n GLY 119 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.12 5.11 0.31 1.61 1.01 -1.26 -4.78 120.40 120.28 3pcb s VAL 120 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.67 3pcb s VAL 120 Cb 0.00 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 3pcb s VAL 120 CO 0.00 0.40 1.20 -2.84 0.00 0.00 0.00 175.10 173.85 3pcb s PRO 121 N 0.12 4.46 0.12 2.72 0.02 -1.26 0.70 135.00 141.88 3pcb s PRO 121 Ca 0.26 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.30 3pcb s PRO 121 Cb -0.16 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3pcb s PRO 121 CO 0.12 -0.02 0.14 -1.64 -0.33 0.00 0.00 177.00 175.27 3pcb s MET 122 N -1.69 2.99 0.62 5.54 -1.94 0.39 -4.49 119.30 120.73 3pcb s MET 122 Ca 0.48 -0.74 -0.17 0.00 -1.71 0.00 0.00 55.69 53.54 3pcb s MET 122 Cb -0.35 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.73 3pcb s MET 122 CO 0.46 0.53 1.14 0.00 -0.01 0.00 0.00 175.02 177.14 3pcb s ALA 123 N -1.60 2.51 0.10 3.03 0.00 -1.26 -4.10 121.76 120.44 3pcb s ALA 123 Ca 0.31 0.75 -0.36 0.00 0.00 0.00 0.00 51.96 52.66 3pcb s ALA 123 Cb -0.11 -3.37 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 3pcb s ALA 123 CO 0.24 -1.18 1.24 -2.30 0.00 0.00 0.00 175.76 173.76 3pcb n PRO 124 N -1.97 0.96 -3.56 0.00 -0.02 -1.26 -4.88 135.00 124.27 3pcb n PRO 124 Ca 0.12 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 3pcb n PRO 124 Cb 0.51 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.21 -0.35 -0.16 6.00 -3.43 -1.26 -4.47 115.29 111.83 3pcb s HIS 125 Ca 0.82 0.15 -0.00 0.00 -0.80 0.00 0.00 55.06 55.23 3pcb s HIS 125 Cb -0.97 0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 30.53 3pcb s HIS 125 CO 0.50 -0.73 -0.14 0.42 -2.00 0.00 0.00 174.74 172.79 3pcb s ILE 126 N -3.45 2.79 0.06 -5.38 1.01 -0.66 -4.55 121.20 111.02 3pcb s ILE 126 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 3pcb s ILE 126 Cb 0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3pcb s ILE 126 CO -0.10 0.51 0.86 0.20 0.00 0.00 0.00 174.94 176.41 3pcb s ASN 127 N 0.80 7.33 0.03 3.58 0.01 0.39 -0.12 114.94 126.95 3pcb s ASN 127 Ca -0.05 1.59 0.05 0.00 -0.71 0.00 0.00 52.86 53.74 3pcb s ASN 127 Cb -0.15 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 3pcb s ASN 127 CO 0.00 -0.04 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.78 3pcb s ILE 128 N 0.08 1.09 -0.09 0.60 1.01 -0.42 -1.28 121.20 122.19 3pcb s ILE 128 Ca 0.43 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.22 3pcb s ILE 128 Cb -0.22 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3pcb s ILE 128 CO 0.26 0.08 -0.17 -0.44 0.00 0.00 0.00 174.94 174.67 3pcb s SER 129 N -0.92 2.45 -0.10 3.58 0.01 -0.26 -1.34 113.70 117.12 3pcb s SER 129 Ca 0.02 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3pcb s SER 129 Cb -0.07 -1.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 3pcb s SER 129 CO 0.01 0.07 -0.09 -0.22 0.41 0.00 0.00 173.24 173.42 3pcb s LEU 130 N 0.68 3.01 0.09 2.44 2.96 0.14 -1.39 118.68 126.61 3pcb s LEU 130 Ca -0.13 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3pcb s LEU 130 Cb -0.16 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3pcb s LEU 130 CO 0.03 0.27 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.84 3pcb s PHE 131 N -0.28 1.27 0.00 5.38 0.40 0.07 -1.50 117.98 123.32 3pcb s PHE 131 Ca 0.03 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3pcb s PHE 131 Cb -0.13 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.70 3pcb s PHE 131 CO 0.03 0.08 0.00 0.00 0.70 0.00 0.00 175.22 176.03 3pcb n ALA 132 N 1.03 0.00 -1.76 5.36 0.00 -1.26 -0.91 120.51 122.96 3pcb n ALA 132 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 3pcb n ALA 132 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 3pcb n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcb s ARG 133 N -2.00 3.73 0.00 0.00 1.70 -1.25 -1.94 118.95 119.18 3pcb s ARG 133 Ca 0.00 2.13 0.00 0.00 -0.47 0.00 0.00 55.73 57.39 3pcb s ARG 133 Cb 0.00 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 3pcb s ARG 133 CO 0.00 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 3pcb n GLY 134 N 0.63 2.10 3.29 3.88 0.00 -1.26 -4.97 105.19 108.85 3pcb n GLY 134 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 4.20 0.17 -0.61 1.01 -0.82 -4.98 121.20 117.85 3pcb s ILE 135 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 3pcb s ILE 135 Cb 0.00 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 39.03 3pcb s ILE 135 CO 0.00 -0.40 1.69 0.78 0.00 0.00 0.00 174.94 177.00 3pcb h ASN 136 N 8.37 0.84 -3.42 3.58 2.35 -1.90 -3.34 115.58 122.06 3pcb h ASN 136 Ca -0.23 -0.21 -0.46 0.00 -0.55 0.00 0.00 56.30 54.85 3pcb h ASN 136 Cb 1.09 -0.22 -0.34 0.00 0.05 0.00 0.00 38.32 38.90 3pcb h ASN 136 CO 0.71 0.83 -0.79 -0.51 -1.65 0.00 0.00 177.43 176.02 3pcb s ILE 137 N -5.38 0.80 0.66 2.81 2.07 -1.26 -2.93 121.20 117.98 3pcb s ILE 137 Ca -0.13 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 58.67 3pcb s ILE 137 Cb 0.13 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 3pcb s ILE 137 CO 0.80 0.29 0.54 0.00 -1.91 0.00 0.00 174.94 174.66 3pcb n HIS 138 N 4.02 -0.71 -3.90 3.50 1.44 -1.26 -4.98 115.22 113.33 3pcb n HIS 138 Ca -0.23 0.38 -0.35 0.00 -2.01 0.00 0.00 57.72 55.51 3pcb n HIS 138 Cb 0.51 -1.94 -0.08 0.00 0.12 0.00 0.00 29.99 28.60 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 0.11 4.08 -0.14 2.39 1.43 -0.56 -4.90 118.68 121.08 3pcb s LEU 139 Ca 0.67 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 3pcb s LEU 139 Cb -0.39 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3pcb s LEU 139 CO 0.56 0.25 0.08 -1.00 0.23 0.00 0.00 176.35 176.47 3pcb s HIS 140 N -0.06 3.37 0.31 0.29 3.76 -1.26 0.29 115.29 121.98 3pcb s HIS 140 Ca 0.08 0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 55.20 3pcb s HIS 140 Cb -0.12 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.61 3pcb s HIS 140 CO 0.00 0.45 0.51 -0.08 -0.85 0.00 0.00 174.74 174.78 3pcb s THR 141 N -0.44 0.00 0.00 1.30 -1.32 -0.45 -0.64 115.64 114.09 3pcb s THR 141 Ca 0.10 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.16 3pcb s THR 141 Cb -0.12 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3pcb s THR 141 CO 0.02 0.00 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.19 3pcb s ARG 142 N -3.34 0.85 -0.21 7.08 0.52 -1.26 -1.29 118.95 121.29 3pcb s ARG 142 Ca 0.26 -0.47 -0.06 0.00 -0.52 0.00 0.00 55.73 54.94 3pcb s ARG 142 Cb -0.01 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.61 3pcb s ARG 142 CO 0.15 0.22 0.02 -1.17 0.02 0.00 0.00 175.30 174.54 3pcb s LEU 143 N -0.48 3.33 0.30 2.53 0.20 0.83 -4.76 118.68 120.63 3pcb s LEU 143 Ca 0.03 -0.19 0.10 0.00 0.69 0.00 0.00 54.13 54.75 3pcb s LEU 143 Cb -0.05 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 3pcb s LEU 143 CO -0.00 0.04 -0.01 -0.31 -0.29 0.00 0.00 176.35 175.78 3pcb s TYR 144 N 1.14 2.60 -0.17 5.38 1.51 0.57 -1.65 117.35 126.74 3pcb s TYR 144 Ca 0.03 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3pcb s TYR 144 Cb -0.14 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3pcb s TYR 144 CO 0.02 0.56 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.92 3pcb s PHE 145 N -2.41 2.99 0.57 2.71 0.08 -1.26 0.22 117.98 120.88 3pcb s PHE 145 Ca 0.33 -0.47 0.27 0.00 0.12 0.00 0.00 56.93 57.17 3pcb s PHE 145 Cb -0.04 -2.00 1.55 0.00 -0.57 0.00 0.00 43.02 41.96 3pcb s PHE 145 CO 0.19 -0.19 2.07 0.38 -0.10 0.00 0.00 175.22 177.58 3pcb h ASP 146 N 7.12 0.00 -0.23 1.36 2.03 -1.51 -2.25 116.42 122.95 3pcb h ASP 146 Ca -0.33 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.91 3pcb h ASP 146 Cb 1.19 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.65 3pcb h ASP 146 CO 0.61 0.00 0.08 -0.90 -1.03 0.00 0.00 179.24 178.00 3pcb n ASP 147 N -4.00 2.77 -1.65 4.15 5.68 -1.26 -3.72 116.55 118.51 3pcb n ASP 147 Ca 0.03 -2.37 0.02 0.00 -0.50 0.00 0.00 54.79 51.97 3pcb n ASP 147 Cb 0.37 -0.58 0.05 0.00 -1.14 0.00 0.00 41.12 39.83 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 0.11 0.73 -0.31 0.11 -0.58 -0.85 -4.92 120.64 114.94 3pcb n GLU 148 Ca 0.12 -2.58 0.15 0.00 -0.42 0.00 0.00 57.16 54.43 3pcb n GLU 148 Cb 0.67 -0.65 0.32 0.00 -0.57 0.00 0.00 31.44 31.21 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 1.37 1.34 -0.17 0.62 0.00 -1.76 0.21 119.26 120.86 3pcb h ALA 149 Ca -0.15 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3pcb h ALA 149 Cb 1.63 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 3pcb h ALA 149 CO 0.13 -0.52 -0.04 1.96 0.00 0.00 0.00 179.25 180.78 3pcb h GLN 150 N 0.16 0.00 -0.46 0.00 4.20 -1.93 -0.91 115.11 116.18 3pcb h GLN 150 Ca 0.59 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.20 3pcb h GLN 150 Cb 1.23 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3pcb h GLN 150 CO -0.71 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 177.39 3pcb h ALA 151 N 1.16 0.62 -0.84 3.87 0.00 -1.45 -3.18 119.26 119.46 3pcb h ALA 151 Ca 0.08 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.77 3pcb h ALA 151 Cb 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3pcb h ALA 151 CO -0.17 0.48 0.48 -0.91 0.00 0.00 0.00 179.25 179.14 3pcb h ASN 152 N 0.69 0.69 -0.09 0.00 2.35 -0.25 -0.98 115.58 117.99 3pcb h ASN 152 Ca 0.12 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3pcb h ASN 152 Cb 0.60 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3pcb h ASN 152 CO 0.04 0.39 0.01 0.00 -1.65 0.00 0.00 177.43 176.21 3pcb h ALA 153 N 1.46 1.69 0.00 -0.83 0.00 -1.16 -2.73 119.26 117.70 3pcb h ALA 153 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pcb h ALA 153 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3pcb h ALA 153 CO -0.25 0.24 -0.66 1.63 0.00 0.00 0.00 179.25 180.20 3pcb n LYS 154 N -4.40 0.04 -1.69 0.00 4.76 -0.47 -4.91 118.16 111.49 3pcb n LYS 154 Ca -0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 3pcb n LYS 154 Cb 0.17 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3pcb n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcb h PRO 156 N 7.73 0.00 0.00 0.00 0.13 -1.91 -0.33 132.00 137.62 3pcb h PRO 156 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3pcb h PRO 156 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3pcb h PRO 156 CO 0.94 0.00 -0.41 0.28 -0.23 0.00 0.00 178.00 178.58 3pcb h VAL 157 N 0.00 1.04 -1.01 1.56 2.07 -1.95 -3.25 116.25 114.71 3pcb h VAL 157 Ca 0.00 -1.91 0.10 0.00 0.82 0.00 0.00 66.70 65.71 3pcb h VAL 157 Cb 0.49 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 3pcb h VAL 157 CO 0.00 0.35 0.64 0.25 0.02 0.00 0.00 177.57 178.83 3pcb h LEU 158 N -1.00 0.97 -0.67 2.57 5.85 -1.88 0.57 115.31 121.72 3pcb h LEU 158 Ca -0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3pcb h LEU 158 Cb 0.85 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3pcb h LEU 158 CO -0.06 0.55 0.00 0.59 -0.34 0.00 0.00 178.44 179.19 3pcb n ASN 159 N -4.58 0.47 0.13 1.25 3.02 -0.14 -1.72 115.26 113.70 3pcb n ASN 159 Ca 0.18 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.50 3pcb n ASN 159 Cb 0.29 -0.73 0.40 0.00 -0.61 0.00 0.00 39.78 39.13 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 -8.92 3.41 3.38 -0.91 -3.43 115.31 108.84 3pcb h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcb h LEU 160 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3pcb h LEU 160 CO 0.00 0.00 0.86 -0.63 0.09 0.00 0.00 178.44 178.76 3pcb s ILE 161 N -3.17 4.46 0.07 1.22 1.01 -0.70 -4.95 121.20 119.15 3pcb s ILE 161 Ca 0.09 1.66 -0.19 0.00 0.00 0.00 0.00 60.65 62.21 3pcb s ILE 161 Cb 0.11 -4.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 3pcb s ILE 161 CO 0.58 -0.54 1.32 -0.33 0.00 0.00 0.00 174.94 175.96 3pcb h GLU 162 N 8.27 -0.28 -5.69 2.79 5.08 -1.88 -3.40 114.58 119.48 3pcb h GLU 162 Ca -0.21 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.57 3pcb h GLU 162 Cb 1.06 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 3pcb h GLU 162 CO 1.04 -0.19 0.36 -0.65 -1.00 0.00 0.00 179.01 178.58 3pcb s GLN 163 N -4.54 4.15 0.39 2.33 -1.52 -1.26 -4.97 119.66 114.24 3pcb s GLN 163 Ca -0.09 0.79 0.18 0.00 -1.95 0.00 0.00 55.36 54.29 3pcb s GLN 163 Cb 0.04 -3.65 1.09 0.00 -0.22 0.00 0.00 33.01 30.27 3pcb s GLN 163 CO 0.35 -0.48 1.77 -1.35 -0.25 0.00 0.00 175.29 175.32 3pcb h PRO 164 N 7.77 0.40 -0.87 2.91 0.11 -1.98 -0.81 132.00 139.52 3pcb h PRO 164 Ca -0.24 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.88 3pcb h PRO 164 Cb 1.10 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3pcb h PRO 164 CO 0.84 0.26 0.57 1.96 -0.21 0.00 0.00 178.00 181.42 3pcb h GLN 165 N 0.41 1.06 0.00 1.05 7.50 -1.95 -1.82 115.11 121.35 3pcb h GLN 165 Ca 0.60 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.62 3pcb h GLN 165 Cb 1.49 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.77 3pcb h GLN 165 CO -0.31 0.70 -0.33 0.00 -1.50 0.00 0.00 178.83 177.39 3pcb h ARG 166 N 1.09 0.00 -0.34 1.46 3.08 -1.55 -2.94 114.38 115.19 3pcb h ARG 166 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3pcb h ARG 166 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3pcb h ARG 166 CO -0.10 0.33 0.10 0.00 -1.07 0.00 0.00 179.97 179.23 3pcb h ARG 167 N 0.00 0.48 0.00 0.04 3.08 -1.34 -2.25 114.38 114.39 3pcb h ARG 167 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3pcb h ARG 167 Cb 0.63 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3pcb h ARG 167 CO 0.04 0.43 -0.08 0.93 -1.07 0.00 0.00 179.97 180.23 3pcb h GLU 168 N 0.48 0.00 0.00 0.04 5.08 -1.54 -2.50 114.58 116.14 3pcb h GLU 168 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3pcb h GLU 168 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3pcb h GLU 168 CO -0.01 0.08 0.00 1.79 -1.00 0.00 0.00 179.01 179.87 3pcb h THR 169 N 0.00 0.00 -0.05 1.13 1.35 -1.53 -2.91 112.91 110.90 3pcb h THR 169 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3pcb h THR 169 Cb 0.20 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3pcb h THR 169 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3pcb n LEU 170 N -3.05 2.02 -4.59 3.87 4.77 -0.94 -4.84 117.00 114.24 3pcb n LEU 170 Ca 0.00 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.90 3pcb n LEU 170 Cb 0.26 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 3pcb n LEU 170 CO 0.26 0.35 -0.11 -0.63 -1.33 0.00 0.00 177.39 175.92 3pcb s ILE 171 N -1.96 5.28 0.28 -0.08 1.01 -1.10 -0.32 121.20 124.31 3pcb s ILE 171 Ca 0.35 0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 3pcb s ILE 171 Cb 0.20 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3pcb s ILE 171 CO 0.32 0.21 0.99 0.00 0.00 0.00 0.00 174.94 176.46 3pcb s ALA 172 N 1.83 3.30 -0.28 9.38 0.00 0.61 -4.83 121.76 131.77 3pcb s ALA 172 Ca 0.09 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 3pcb s ALA 172 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3pcb s ALA 172 CO 0.11 0.06 0.37 0.15 0.00 0.00 0.00 175.76 176.44 3pcb s LYS 173 N -1.57 3.95 0.24 0.00 1.02 -0.44 -1.28 119.74 121.65 3pcb s LYS 173 Ca 0.46 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 3pcb s LYS 173 Cb -0.26 -3.68 -0.10 0.00 -0.52 0.00 0.00 37.83 33.28 3pcb s LYS 173 CO 0.32 -0.31 1.41 0.50 -0.92 0.00 0.00 175.35 176.35 3pcb s ARG 174 N 2.06 4.29 0.00 1.68 3.52 -1.26 -0.91 118.95 128.33 3pcb s ARG 174 Ca 0.14 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 3pcb s ARG 174 Cb -0.16 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3pcb s ARG 174 CO 0.10 -0.38 0.00 0.00 -0.81 0.00 0.00 175.30 174.21 3pcb s GLU 176 N 0.14 0.15 -0.18 0.00 2.12 -1.26 -1.33 118.70 118.35 3pcb s GLU 176 Ca 0.00 0.49 -0.01 0.00 0.36 0.00 0.00 54.97 55.81 3pcb s GLU 176 Cb 0.00 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.24 3pcb s GLU 176 CO 0.00 -0.18 -0.12 0.08 -0.54 0.00 0.00 175.26 174.50 3pcb s VAL 177 N 1.37 2.81 -1.40 3.70 1.01 0.33 -4.63 120.40 123.59 3pcb s VAL 177 Ca -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 3pcb s VAL 177 Cb -0.11 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3pcb s VAL 177 CO -0.07 0.49 0.47 0.47 0.00 0.00 0.00 175.10 176.46 3pcb n ASP 178 N 4.41 -0.52 -0.59 3.32 8.00 -1.26 0.81 116.55 130.71 3pcb n ASP 178 Ca -0.19 -0.97 -0.07 0.00 0.71 0.00 0.00 54.79 54.26 3pcb n ASP 178 Cb 0.51 -3.22 -0.03 0.00 -0.02 0.00 0.00 41.12 38.36 3pcb n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcb n GLY 179 N -1.91 0.69 3.80 0.44 0.00 -1.26 -4.95 105.19 102.00 3pcb n GLY 179 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.48 3.09 -0.04 1.61 2.47 0.24 -5.06 119.74 119.58 3pcb s LYS 180 Ca 0.00 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 53.61 3pcb s LYS 180 Cb 0.00 -2.87 -0.05 0.00 -1.46 0.00 0.00 37.83 33.45 3pcb s LYS 180 CO 0.00 0.64 1.47 0.99 0.16 0.00 0.00 175.35 178.61 3pcb s THR 181 N -1.25 3.72 0.25 3.43 2.01 -1.26 0.12 115.64 122.66 3pcb s THR 181 Ca 0.25 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.30 3pcb s THR 181 Cb -0.12 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3pcb s THR 181 CO 0.16 -0.04 -0.01 0.00 -0.69 0.00 0.00 174.62 174.04 3pcb s ALA 182 N 3.09 1.96 -0.06 7.40 0.00 -0.44 -1.63 121.76 132.07 3pcb s ALA 182 Ca 0.66 -1.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3pcb s ALA 182 Cb -0.31 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3pcb s ALA 182 CO 0.26 -0.23 0.15 0.71 0.00 0.00 0.00 175.76 176.65 3pcb s TYR 183 N -3.34 -0.17 -0.16 0.00 1.51 -0.74 -0.37 117.35 114.08 3pcb s TYR 183 Ca 0.29 0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 56.77 3pcb s TYR 183 Cb 0.06 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.83 3pcb s TYR 183 CO 0.10 -0.15 0.02 0.50 -1.11 0.00 0.00 175.55 174.91 3pcb s ARG 184 N 0.91 3.74 -0.24 -0.62 3.52 -0.09 -2.28 118.95 123.90 3pcb s ARG 184 Ca -0.07 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3pcb s ARG 184 Cb -0.09 -3.06 0.08 0.00 -1.56 0.00 0.00 34.95 30.32 3pcb s ARG 184 CO -0.05 0.33 0.08 0.12 -0.81 0.00 0.00 175.30 174.98 3pcb s PHE 185 N 0.18 0.82 -0.02 5.12 5.36 -0.46 -1.33 117.98 127.64 3pcb s PHE 185 Ca 0.02 -0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 54.97 3pcb s PHE 185 Cb -0.13 -1.07 -0.05 0.00 -0.34 0.00 0.00 43.02 41.43 3pcb s PHE 185 CO 0.01 -0.71 0.26 -0.51 -1.46 0.00 0.00 175.22 172.82 3pcb s ASP 186 N 1.93 6.51 -0.15 6.13 1.01 -1.26 -4.12 116.67 126.72 3pcb s ASP 186 Ca 0.05 0.58 -0.01 0.00 0.71 0.00 0.00 52.55 53.88 3pcb s ASP 186 Cb -0.17 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 3pcb s ASP 186 CO -0.20 0.29 -0.11 -0.63 0.21 0.00 0.00 175.17 174.74 3pcb s ILE 187 N -1.23 3.20 -0.35 0.77 1.01 -0.42 -4.98 121.20 119.20 3pcb s ILE 187 Ca 0.25 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 3pcb s ILE 187 Cb -0.13 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.03 3pcb s ILE 187 CO 0.14 0.51 0.11 -0.13 0.00 0.00 0.00 174.94 175.56 3pcb s ARG 188 N 0.50 2.43 0.16 2.79 0.52 -1.26 -0.78 118.95 123.31 3pcb s ARG 188 Ca -0.08 -1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 3pcb s ARG 188 Cb -0.15 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 31.93 3pcb s ARG 188 CO 0.04 -0.76 1.77 0.82 0.02 0.00 0.00 175.30 177.18 3pcb h ILE 189 N 6.30 1.17 -3.33 1.52 2.04 -1.54 0.26 117.51 123.92 3pcb h ILE 189 Ca -0.20 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.08 3pcb h ILE 189 Cb 1.07 0.56 -0.21 0.00 -0.74 0.00 0.00 36.82 37.50 3pcb h ILE 189 CO 0.61 0.18 -0.42 -1.58 0.00 0.00 0.00 178.15 176.94 3pcb s GLN 190 N -5.85 0.51 1.08 2.37 0.74 -1.26 -4.71 119.66 112.54 3pcb s GLN 190 Ca -0.13 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3pcb s GLN 190 Cb 0.12 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3pcb s GLN 190 CO 0.75 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.78 3pcb n GLY 191 N 1.58 0.02 3.60 2.59 0.00 -1.26 -4.08 105.19 107.63 3pcb n GLY 191 Ca -0.21 -1.55 -0.50 0.00 0.00 0.00 0.00 46.02 43.76 3pcb n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcb n GLU 192 N 0.68 1.63 -2.41 1.61 2.13 -1.26 -1.02 120.64 122.01 3pcb n GLU 192 Ca 0.00 0.54 -0.10 0.00 0.66 0.00 0.00 57.16 58.26 3pcb n GLU 192 Cb 0.00 -2.57 0.01 0.00 0.27 0.00 0.00 31.44 29.15 3pcb n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcb n GLY 193 N 5.25 0.03 3.69 8.31 0.00 -1.26 -4.94 105.19 116.26 3pcb n GLY 193 Ca 0.30 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.15 2.24 -2.31 1.61 2.13 -0.19 -4.59 120.64 117.39 3pcb n GLU 194 Ca -0.09 0.80 -0.41 0.00 0.66 0.00 0.00 57.16 58.13 3pcb n GLU 194 Cb 0.58 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.72 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 0.40 3.18 0.18 6.31 2.01 0.90 -4.96 115.64 123.67 3pcb s THR 195 Ca 0.72 1.15 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 3pcb s THR 195 Cb -0.62 -3.73 -0.09 0.00 0.01 0.00 0.00 72.50 68.06 3pcb s THR 195 CO 0.44 0.26 1.46 -0.69 -0.69 0.00 0.00 174.62 175.40 3pcb s VAL 196 N -0.94 2.85 -0.04 3.82 1.01 -1.26 -4.94 120.40 120.89 3pcb s VAL 196 Ca 0.48 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.17 3pcb s VAL 196 Cb -0.35 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3pcb s VAL 196 CO 0.45 0.07 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 3pcb s PHE 197 N 0.67 2.20 0.24 5.22 0.08 -1.26 -4.68 117.98 120.45 3pcb s PHE 197 Ca 0.64 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 57.18 3pcb s PHE 197 Cb -0.41 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3pcb s PHE 197 CO 0.35 -0.15 0.27 -0.06 -0.10 0.00 0.00 175.22 175.54 3pcb s PHE 198 N -0.26 3.27 -0.08 0.36 0.08 0.18 -5.01 117.98 116.53 3pcb s PHE 198 Ca 0.01 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.00 3pcb s PHE 198 Cb -0.12 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3pcb s PHE 198 CO 0.02 0.48 -0.09 0.34 -0.10 0.00 0.00 175.22 175.88 3pcb s ASP 199 N -3.88 1.73 0.00 1.36 2.15 -1.26 -4.44 116.67 112.33 3pcb s ASP 199 Ca 0.33 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.06 3pcb s ASP 199 Cb -0.08 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.80 3pcb s ASP 199 CO 0.27 -0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.44