#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 4.06 -0.10 4.25 -1.09 -1.26 -5.04 121.20 122.02 3pcb s ILE 2 Ca 0.00 1.67 0.03 0.00 -2.23 0.00 0.00 60.65 60.12 3pcb s ILE 2 Cb 0.00 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3pcb s ILE 2 CO 0.00 0.24 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.12 3pcb s GLU 3 N 0.10 3.04 0.56 2.79 0.41 -1.26 -5.14 118.70 119.20 3pcb s GLU 3 Ca 0.51 -0.83 0.07 0.00 -0.41 0.00 0.00 54.97 54.30 3pcb s GLU 3 Cb -0.28 -2.36 0.10 0.00 -1.78 0.00 0.00 34.13 29.81 3pcb s GLU 3 CO 0.32 0.23 0.78 1.28 -0.49 0.00 0.00 175.26 177.38 3pcb n LEU 4 N 3.41 0.00 -4.77 1.80 4.32 -1.26 -5.06 117.00 115.44 3pcb n LEU 4 Ca -0.19 -2.19 -0.39 0.00 -0.02 0.00 0.00 56.01 53.23 3pcb n LEU 4 Cb 0.53 -0.44 -0.01 0.00 -1.62 0.00 0.00 43.42 41.88 3pcb n LEU 4 CO 0.28 -0.76 0.89 -0.76 -1.22 0.00 0.00 177.39 175.83 3pcb s LEU 5 N 0.00 4.16 0.35 2.23 1.43 -1.26 -4.97 118.68 120.62 3pcb s LEU 5 Ca 0.57 2.48 -0.26 0.00 -1.03 0.00 0.00 54.13 55.89 3pcb s LEU 5 Cb -0.04 -4.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 3pcb s LEU 5 CO 0.36 -0.82 1.01 -2.16 0.23 0.00 0.00 176.35 174.97 3pcb s PRO 6 N -2.35 4.43 0.42 1.29 0.04 -1.26 -5.02 135.00 132.55 3pcb s PRO 6 Ca 0.58 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 3pcb s PRO 6 Cb -0.34 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 3pcb s PRO 6 CO 0.42 0.11 1.21 -2.00 0.04 0.00 0.00 177.00 176.79 3pcb s GLU 7 N -2.14 3.95 0.20 4.56 2.12 -1.26 -4.96 118.70 121.17 3pcb s GLU 7 Ca 0.52 1.93 -0.32 0.00 0.36 0.00 0.00 54.97 57.47 3pcb s GLU 7 Cb -0.22 -2.64 -0.12 0.00 0.26 0.00 0.00 34.13 31.42 3pcb s GLU 7 CO 0.28 -0.44 1.69 0.99 -0.54 0.00 0.00 175.26 177.24 3pcb s THR 8 N -1.38 2.15 0.40 -1.70 2.01 -1.26 -4.94 115.64 110.91 3pcb s THR 8 Ca 0.59 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 3pcb s THR 8 Cb -0.33 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 3pcb s THR 8 CO 0.41 0.01 1.26 -2.84 -0.69 0.00 0.00 174.62 172.77 3pcb s PRO 9 N 1.14 4.02 0.71 4.92 0.02 -1.26 -5.02 135.00 139.53 3pcb s PRO 9 Ca 0.74 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.69 3pcb s PRO 9 Cb -0.48 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.31 3pcb s PRO 9 CO 0.32 -0.42 1.08 0.45 -0.33 0.00 0.00 177.00 178.10 3pcb s SER 10 N -0.86 5.04 0.01 2.53 0.15 -1.26 -5.09 113.70 114.23 3pcb s SER 10 Ca 0.56 1.76 -0.10 0.00 0.70 0.00 0.00 55.95 58.87 3pcb s SER 10 Cb -0.36 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.45 3pcb s SER 10 CO 0.46 -1.67 0.20 -1.10 1.20 0.00 0.00 173.24 172.32 3pcb s GLN 11 N -4.79 0.61 0.58 5.44 -1.52 -1.12 -4.90 119.66 113.95 3pcb s GLN 11 Ca 0.61 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 53.38 3pcb s GLN 11 Cb -0.16 0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 3pcb s GLN 11 CO 0.52 -0.16 1.31 -2.37 -0.25 0.00 0.00 175.29 174.34 3pcb n THR 12 N 1.12 4.12 0.17 -0.19 5.66 -1.20 -4.74 114.28 119.22 3pcb n THR 12 Ca -0.21 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.31 3pcb n THR 12 Cb 0.57 -1.58 0.35 0.00 -1.55 0.00 0.00 70.33 68.11 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 1.14 1.37 0.00 1.79 0.00 -1.73 -3.49 119.26 118.33 3pcb h ALA 13 Ca -0.51 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3pcb h ALA 13 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pcb h ALA 13 CO 0.56 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.68 3pcb n GLY 14 N -0.47 -1.14 0.26 0.00 0.00 -1.26 -4.21 105.19 98.36 3pcb n GLY 14 Ca -0.02 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.62 1.61 0.13 -1.94 -3.20 132.00 127.99 3pcb h PRO 15 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3pcb h PRO 15 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3pcb h PRO 15 CO 0.00 0.12 0.09 0.66 -0.23 0.00 0.00 178.00 178.64 3pcb n TYR 16 N -3.46 2.17 0.21 1.56 4.01 -1.26 -4.68 117.16 115.71 3pcb n TYR 16 Ca -0.01 -0.90 0.18 0.00 -0.16 0.00 0.00 57.90 57.01 3pcb n TYR 16 Cb 0.28 -0.57 0.84 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 3.47 0.34 -0.38 -0.72 3.04 -1.72 -1.47 116.25 118.81 3pcb h VAL 17 Ca 0.09 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.75 3pcb h VAL 17 Cb 2.09 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 32.13 3pcb h VAL 17 CO 0.57 0.00 0.11 0.45 -1.01 0.00 0.00 177.57 177.69 3pcb h HIS 18 N 0.00 0.55 -0.73 3.17 3.86 -1.85 -0.99 115.15 119.16 3pcb h HIS 18 Ca 0.09 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3pcb h HIS 18 Cb 0.61 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 3pcb h HIS 18 CO 0.00 0.47 0.48 -0.84 0.86 0.00 0.00 177.93 178.90 3pcb h ILE 19 N 0.54 1.02 0.00 2.45 3.07 -1.49 0.37 117.51 123.47 3pcb h ILE 19 Ca 0.13 -0.26 -0.35 0.00 1.55 0.00 0.00 64.86 65.93 3pcb h ILE 19 Cb 0.18 0.19 -0.06 0.00 -0.27 0.00 0.00 36.82 36.86 3pcb h ILE 19 CO -0.01 0.14 -2.20 0.61 -1.05 0.00 0.00 178.15 175.64 3pcb n GLY 20 N -1.45 -0.97 0.01 0.16 0.00 -0.90 -4.59 105.19 97.44 3pcb n GLY 20 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.86 0.43 -3.09 0.99 4.77 -0.43 -4.81 117.00 112.01 3pcb n LEU 21 Ca -0.29 -0.70 -0.17 0.00 -0.03 0.00 0.00 56.01 54.83 3pcb n LEU 21 Cb 1.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.20 3pcb n LEU 21 CO 0.43 0.11 -0.12 0.00 -1.33 0.00 0.00 177.39 176.48 3pcb n ALA 22 N -0.60 1.41 -0.18 -1.18 0.00 0.12 -4.97 120.51 115.11 3pcb n ALA 22 Ca 0.00 -2.97 -0.11 0.00 0.00 0.00 0.00 53.44 50.37 3pcb n ALA 22 Cb 0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 3.16 -1.68 -0.41 0.00 4.07 -1.64 -0.24 115.31 118.57 3pcb h LEU 23 Ca 0.05 0.25 0.09 0.00 0.08 0.00 0.00 57.88 58.34 3pcb h LEU 23 Cb 0.99 0.72 -0.08 0.00 1.08 0.00 0.00 40.66 43.36 3pcb h LEU 23 CO 0.42 -0.36 -0.15 -0.08 -1.08 0.00 0.00 178.44 177.19 3pcb h GLU 24 N -0.30 -0.06 -0.21 1.13 4.81 -1.87 -1.72 114.58 116.37 3pcb h GLU 24 Ca 0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3pcb h GLU 24 Cb 0.57 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3pcb h GLU 24 CO -0.65 -0.04 0.10 0.00 -0.73 0.00 0.00 179.01 177.69 3pcb h ALA 25 N 1.30 1.79 0.00 2.92 0.00 -1.53 0.32 119.26 124.06 3pcb h ALA 25 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pcb h ALA 25 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3pcb h ALA 25 CO -0.46 0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3pcb h ALA 26 N 1.83 1.00 -3.34 0.00 0.00 -0.21 -3.47 119.26 115.06 3pcb h ALA 26 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3pcb h ALA 26 Cb 0.04 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.89 3pcb h ALA 26 CO -0.01 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.35 3pcb n GLY 27 N 0.37 0.17 3.30 0.00 0.00 0.11 -5.01 105.19 104.14 3pcb n GLY 27 Ca 0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.46 2.44 0.37 1.61 0.01 -1.04 -5.05 114.94 109.82 3pcb s ASN 28 Ca 0.05 -0.84 -0.28 0.00 -0.71 0.00 0.00 52.86 51.07 3pcb s ASN 28 Cb -0.02 -0.13 -0.11 0.00 0.41 0.00 0.00 41.25 41.40 3pcb s ASN 28 CO 0.29 -0.07 1.51 -2.16 -1.51 0.00 0.00 177.10 175.15 3pcb s PRO 29 N -2.74 4.10 0.52 -0.60 0.04 -1.26 -4.07 135.00 130.98 3pcb s PRO 29 Ca 0.13 2.59 0.04 0.00 0.04 0.00 0.00 61.00 63.81 3pcb s PRO 29 Cb -0.05 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.55 3pcb s PRO 29 CO 0.05 -0.56 0.72 0.95 0.04 0.00 0.00 177.00 178.20 3pcb s THR 30 N -0.99 2.70 0.65 1.26 -4.23 -1.26 -4.89 115.64 108.88 3pcb s THR 30 Ca 0.54 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 3pcb s THR 30 Cb -0.47 -2.88 0.09 0.00 1.34 0.00 0.00 72.50 70.58 3pcb s THR 30 CO 0.62 0.00 0.90 -0.13 -0.54 0.00 0.00 174.62 175.47 3pcb s ARG 31 N -4.63 2.02 0.14 3.99 0.52 -1.26 -5.01 118.95 114.72 3pcb s ARG 31 Ca 0.58 -1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 3pcb s ARG 31 Cb -0.09 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 32.96 3pcb s ARG 31 CO 0.37 -1.14 1.75 -0.44 0.02 0.00 0.00 175.30 175.85 3pcb h ASP 32 N -0.24 0.10 -3.19 0.23 3.32 -2.07 -3.40 116.42 111.16 3pcb h ASP 32 Ca -0.37 0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.05 3pcb h ASP 32 Cb 1.28 0.02 -0.33 0.00 0.22 0.00 0.00 39.33 40.52 3pcb h ASP 32 CO 0.43 0.09 -0.82 -1.10 -1.72 0.00 0.00 179.24 176.13 3pcb s GLN 33 N -6.17 3.04 0.10 3.56 -0.21 -1.26 -5.11 119.66 113.61 3pcb s GLN 33 Ca -0.13 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 54.52 3pcb s GLN 33 Cb 0.11 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 3pcb s GLN 33 CO 0.70 -0.23 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.23 3pcb s GLU 34 N 1.33 1.10 -0.32 2.91 0.41 -1.26 -5.12 118.70 117.74 3pcb s GLU 34 Ca 0.04 -1.15 -0.16 0.00 -0.41 0.00 0.00 54.97 53.29 3pcb s GLU 34 Cb -0.14 -1.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.88 3pcb s GLU 34 CO -0.10 0.30 0.44 0.42 -0.49 0.00 0.00 175.26 175.83 3pcb s ILE 35 N -1.22 5.10 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.15 3pcb s ILE 35 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.05 3pcb s ILE 35 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3pcb s ILE 35 CO 0.04 -0.07 0.00 1.87 0.00 0.00 0.00 174.94 176.78 3pcb n TRP 36 N 5.53 0.00 1.17 3.97 -0.00 -1.26 -4.65 117.44 122.19 3pcb n TRP 36 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.45 3pcb n TRP 36 Cb 0.49 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.88 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 -0.22 1.28 -4.09 5.87 6.94 -0.38 -1.84 115.26 122.83 3pcb n ASN 37 Ca 0.00 -2.07 -0.35 0.00 -0.02 0.00 0.00 54.58 52.14 3pcb n ASN 37 Cb 0.00 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.65 2.20 0.16 -3.83 6.06 -1.26 -0.47 118.95 120.16 3pcb s ARG 38 Ca 0.11 -2.20 0.08 0.00 -2.50 0.00 0.00 55.73 51.22 3pcb s ARG 38 Cb 0.07 -3.59 -0.06 0.00 0.06 0.00 0.00 34.95 31.42 3pcb s ARG 38 CO 0.06 -1.11 1.37 -0.07 -2.50 0.00 0.00 175.30 173.05 3pcb h LEU 39 N 7.44 0.00 -8.49 -0.88 4.07 -0.01 -3.45 115.31 113.98 3pcb h LEU 39 Ca -0.07 0.00 -0.68 0.00 0.08 0.00 0.00 57.88 57.21 3pcb h LEU 39 Cb 0.99 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 42.43 3pcb h LEU 39 CO 0.69 0.90 -0.85 0.00 -1.08 0.00 0.00 178.44 178.10 3pcb s ALA 40 N -2.94 2.31 0.52 1.53 0.00 -1.18 -0.14 121.76 121.85 3pcb s ALA 40 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3pcb s ALA 40 Cb 0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 3pcb s ALA 40 CO 0.80 0.34 1.01 0.15 0.00 0.00 0.00 175.76 178.07 3pcb s LYS 41 N 0.09 3.80 0.55 0.00 1.02 0.69 -4.82 119.74 121.08 3pcb s LYS 41 Ca -0.10 1.12 0.32 0.00 0.02 0.00 0.00 55.97 57.33 3pcb s LYS 41 Cb -0.16 -2.11 1.48 0.00 -0.52 0.00 0.00 37.83 36.53 3pcb s LYS 41 CO 0.06 -0.40 1.86 -1.35 -0.92 0.00 0.00 175.35 174.60 3pcb h PRO 42 N 1.07 0.00 -0.79 -1.68 0.11 -2.00 -1.03 132.00 127.68 3pcb h PRO 42 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3pcb h PRO 42 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3pcb h PRO 42 CO 0.60 0.00 0.08 -0.40 -0.21 0.00 0.00 178.00 178.07 3pcb n ASP 43 N -4.12 3.90 -4.85 -2.05 5.75 -1.26 -4.93 116.55 109.00 3pcb n ASP 43 Ca 0.18 -2.67 -0.34 0.00 -0.01 0.00 0.00 54.79 51.95 3pcb n ASP 43 Cb 0.98 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 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 -2.11 3.57 0.73 2.12 0.00 -0.39 -5.05 121.76 120.63 3pcb s ALA 44 Ca 0.35 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 3pcb s ALA 44 Cb 0.27 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.92 3pcb s ALA 44 CO 0.09 0.47 1.16 -1.25 0.00 0.00 0.00 175.76 176.23 3pcb s PRO 45 N -2.16 2.25 0.00 0.00 0.04 -1.26 -4.89 135.00 128.98 3pcb s PRO 45 Ca 0.40 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3pcb s PRO 45 Cb -0.14 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3pcb s PRO 45 CO 0.19 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.93 3pcb n GLY 46 N -0.00 0.68 3.54 0.56 0.00 -1.26 -4.62 105.19 104.09 3pcb n GLY 46 Ca 0.12 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.15 3.35 0.12 1.61 2.12 -1.26 -4.96 118.70 118.53 3pcb s GLU 47 Ca 0.00 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.87 3pcb s GLU 47 Cb 0.00 -4.08 -0.09 0.00 0.26 0.00 0.00 34.13 30.22 3pcb s GLU 47 CO 0.00 -1.69 1.58 -1.01 -0.54 0.00 0.00 175.26 173.61 3pcb s HIS 48 N 4.56 2.85 0.18 5.30 3.76 -1.26 -1.71 115.29 128.97 3pcb s HIS 48 Ca 0.34 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 55.82 3pcb s HIS 48 Cb -0.11 -3.92 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 3pcb s HIS 48 CO 0.20 -3.49 -0.01 0.96 -0.85 0.00 0.00 174.74 171.56 3pcb s ILE 49 N 1.69 0.78 -0.14 0.60 -4.36 0.12 -4.63 121.20 115.26 3pcb s ILE 49 Ca 0.71 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 3pcb s ILE 49 Cb -0.42 -2.15 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 3pcb s ILE 49 CO 0.31 -0.46 -0.17 -0.22 0.24 0.00 0.00 174.94 174.65 3pcb s LEU 50 N -3.20 2.45 -0.09 0.37 2.96 -0.16 -2.21 118.68 118.80 3pcb s LEU 50 Ca 0.24 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3pcb s LEU 50 Cb 0.06 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3pcb s LEU 50 CO 0.05 0.12 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.37 3pcb s LEU 51 N 0.61 3.18 0.05 -0.68 1.43 -0.19 -0.97 118.68 122.11 3pcb s LEU 51 Ca -0.09 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3pcb s LEU 51 Cb -0.16 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3pcb s LEU 51 CO 0.03 0.31 0.21 -1.48 0.23 0.00 0.00 176.35 175.65 3pcb s LEU 52 N -0.47 1.30 0.02 1.79 -0.00 -0.65 -0.89 118.68 119.77 3pcb s LEU 52 Ca 0.07 -0.37 -0.29 0.00 -0.00 0.00 0.00 54.13 53.54 3pcb s LEU 52 Cb -0.12 1.02 0.11 0.00 -0.00 0.00 0.00 46.19 47.20 3pcb s LEU 52 CO 0.02 -0.58 1.23 -0.83 -0.00 0.00 0.00 176.35 176.19 3pcb s GLY 53 N -2.16 -0.32 0.24 -3.48 0.00 -1.01 -1.17 107.32 99.42 3pcb s GLY 53 Ca -0.04 0.47 0.10 0.00 0.00 0.00 0.00 44.72 45.25 3pcb s GLY 53 CO -0.04 0.98 -0.17 1.20 0.00 0.00 0.00 173.10 175.06 3pcb s GLN 54 N -2.46 1.51 -0.09 2.90 -0.21 -1.26 -1.52 119.66 118.52 3pcb s GLN 54 Ca 0.16 -1.68 0.02 0.00 0.02 0.00 0.00 55.36 53.88 3pcb s GLN 54 Cb 0.03 -1.44 0.01 0.00 1.00 0.00 0.00 33.01 32.61 3pcb s GLN 54 CO -0.02 0.25 -0.14 0.08 -2.12 0.00 0.00 175.29 173.35 3pcb s VAL 55 N -2.74 1.34 0.09 1.09 1.01 -1.26 -0.79 120.40 119.14 3pcb s VAL 55 Ca 0.26 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3pcb s VAL 55 Cb -0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3pcb s VAL 55 CO 0.11 0.41 -0.18 -0.31 0.00 0.00 0.00 175.10 175.13 3pcb s TYR 56 N 0.93 2.54 0.37 5.22 1.51 0.37 -0.44 117.35 127.85 3pcb s TYR 56 Ca -0.08 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3pcb s TYR 56 Cb -0.15 -1.38 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 3pcb s TYR 56 CO -0.00 0.34 0.51 -0.40 -1.11 0.00 0.00 175.55 174.89 3pcb n ASP 57 N 1.05 0.54 0.04 2.29 5.68 0.39 -1.76 116.55 124.78 3pcb n ASP 57 Ca -0.16 -1.49 0.07 0.00 -0.50 0.00 0.00 54.79 52.71 3pcb n ASP 57 Cb 0.52 -0.34 0.31 0.00 -1.14 0.00 0.00 41.12 40.47 3pcb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcb n GLY 58 N 1.25 -0.95 0.60 6.12 0.00 -1.26 -1.97 105.19 108.97 3pcb n GLY 58 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3pcb n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcb n ASN 59 N -1.71 2.22 0.00 1.61 3.02 -1.26 -4.75 115.26 114.39 3pcb n ASN 59 Ca 0.02 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3pcb n ASN 59 Cb 0.14 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.30 0.45 3.88 7.41 0.00 -0.83 -5.04 105.19 112.36 3pcb n GLY 60 Ca 0.10 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 0.34 1.61 3.76 -1.26 -4.80 115.29 116.52 3pcb s HIS 61 Ca 0.00 0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 55.19 3pcb s HIS 61 Cb 0.00 -1.99 -0.11 0.00 1.11 0.00 0.00 32.58 31.60 3pcb s HIS 61 CO 0.00 0.62 1.40 -0.51 -0.85 0.00 0.00 174.74 175.39 3pcb s LEU 62 N -1.74 4.38 -0.47 0.89 1.43 -1.26 -0.46 118.68 121.44 3pcb s LEU 62 Ca 0.27 2.85 -0.17 0.00 -1.03 0.00 0.00 54.13 56.05 3pcb s LEU 62 Cb -0.13 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3pcb s LEU 62 CO 0.16 -0.70 0.47 -0.69 0.23 0.00 0.00 176.35 175.83 3pcb s VAL 63 N -1.02 5.10 -0.61 -1.59 1.01 0.41 -4.85 120.40 118.85 3pcb s VAL 63 Ca 0.52 -0.76 0.12 0.00 0.00 0.00 0.00 61.98 61.86 3pcb s VAL 63 Cb -0.43 -4.16 0.65 0.00 0.00 0.00 0.00 36.38 32.43 3pcb s VAL 63 CO 0.56 -0.62 1.50 0.54 0.00 0.00 0.00 175.10 177.08 3pcb n ARG 64 N 5.58 3.92 -0.86 2.72 1.74 -1.26 -4.25 116.66 124.24 3pcb n ARG 64 Ca -0.10 -2.49 0.02 0.00 -0.77 0.00 0.00 57.85 54.51 3pcb n ARG 64 Cb 0.45 -2.03 0.02 0.00 -1.02 0.00 0.00 32.46 29.87 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 0.60 0.49 -4.84 0.55 5.68 -1.26 -3.72 116.55 114.06 3pcb n ASP 65 Ca 0.22 -2.08 -0.32 0.00 -0.50 0.00 0.00 54.79 52.11 3pcb n ASP 65 Cb 0.95 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.49 6.73 -0.06 -1.12 1.04 -1.26 -4.61 113.70 112.93 3pcb s SER 66 Ca 0.15 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.18 3pcb s SER 66 Cb 0.16 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.79 3pcb s SER 66 CO -0.06 -0.49 -0.13 0.12 0.98 0.00 0.00 173.24 173.66 3pcb s PHE 67 N -2.44 1.43 0.08 5.02 5.36 -0.20 -2.37 117.98 124.87 3pcb s PHE 67 Ca 0.59 -0.49 0.07 0.00 -0.96 0.00 0.00 56.93 56.15 3pcb s PHE 67 Cb -0.10 -1.03 -0.03 0.00 -0.34 0.00 0.00 43.02 41.52 3pcb s PHE 67 CO 0.25 -0.23 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.08 3pcb s LEU 68 N 0.49 2.27 -0.03 6.12 1.02 -0.53 -0.60 118.68 127.42 3pcb s LEU 68 Ca -0.11 -0.63 0.04 0.00 0.02 0.00 0.00 54.13 53.45 3pcb s LEU 68 Cb -0.14 -0.76 -0.00 0.00 0.02 0.00 0.00 46.19 45.31 3pcb s LEU 68 CO 0.03 0.03 -0.14 -1.61 0.02 0.00 0.00 176.35 174.67 3pcb s GLU 69 N -1.72 1.37 0.07 1.70 2.02 -0.81 -1.65 118.70 119.67 3pcb s GLU 69 Ca 0.04 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.61 3pcb s GLU 69 Cb -0.10 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.85 3pcb s GLU 69 CO 0.03 0.24 -0.23 0.14 0.02 0.00 0.00 175.26 175.46 3pcb s VAL 70 N -0.07 1.89 -0.09 2.63 -7.23 -0.52 -1.67 120.40 115.34 3pcb s VAL 70 Ca -0.00 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3pcb s VAL 70 Cb -0.09 -1.65 0.05 0.00 0.56 0.00 0.00 36.38 35.25 3pcb s VAL 70 CO 0.01 0.19 0.18 0.86 -0.31 0.00 0.00 175.10 176.03 3pcb s TRP 71 N -0.90 -0.23 0.10 2.82 -0.11 -0.87 -1.66 118.94 118.09 3pcb s TRP 71 Ca 0.09 0.68 -0.13 0.00 1.22 0.00 0.00 56.10 57.97 3pcb s TRP 71 Cb -0.09 -0.20 0.02 0.00 -1.50 0.00 0.00 33.47 31.69 3pcb s TRP 71 CO 0.03 -0.28 0.30 1.14 -4.62 0.00 0.00 176.95 173.52 3pcb s GLN 72 N 2.26 0.94 0.64 5.86 -2.07 -0.36 -1.26 119.66 125.66 3pcb s GLN 72 Ca 0.02 -0.78 -0.10 0.00 -1.82 0.00 0.00 55.36 52.68 3pcb s GLN 72 Cb -0.12 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 3pcb s GLN 72 CO -0.06 -0.33 1.03 0.00 -1.32 0.00 0.00 175.29 174.60 3pcb s ALA 73 N -3.63 3.07 1.08 2.60 0.00 -1.26 -4.48 121.76 119.13 3pcb s ALA 73 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 3pcb s ALA 73 Cb 0.03 -3.01 0.25 0.00 0.00 0.00 0.00 23.12 20.39 3pcb s ALA 73 CO -0.10 -0.82 1.27 0.16 0.00 0.00 0.00 175.76 176.27 3pcb s ASP 74 N -4.24 2.08 0.44 0.00 1.47 0.41 -4.35 116.67 112.49 3pcb s ASP 74 Ca 0.55 0.29 0.30 0.00 1.18 0.00 0.00 52.55 54.88 3pcb s ASP 74 Cb -0.11 -0.32 1.62 0.00 -0.34 0.00 0.00 42.92 43.77 3pcb s ASP 74 CO 0.52 -3.38 1.92 0.00 0.68 0.00 0.00 175.17 174.91 3pcb h ALA 75 N -2.08 1.00 -0.49 2.11 0.00 -1.82 0.47 119.26 118.45 3pcb h ALA 75 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3pcb h ALA 75 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pcb h ALA 75 CO 0.32 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.66 3pcb n ASN 76 N -2.56 2.84 -2.01 0.00 3.02 -1.26 -3.90 115.26 111.39 3pcb n ASN 76 Ca -0.02 -1.97 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 3pcb n ASN 76 Cb 0.05 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.36 0.21 3.15 7.41 0.00 0.04 -4.80 105.19 112.55 3pcb n GLY 77 Ca 0.18 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.51 1.46 -0.27 1.61 2.02 -1.24 -4.69 118.70 112.09 3pcb s GLU 78 Ca 0.25 -0.60 -0.20 0.00 0.02 0.00 0.00 54.97 54.43 3pcb s GLU 78 Cb -0.11 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 3pcb s GLU 78 CO 0.35 0.33 0.63 0.71 0.02 0.00 0.00 175.26 177.30 3pcb s TYR 79 N -0.28 3.27 -0.80 1.61 2.02 -1.26 0.16 117.35 122.06 3pcb s TYR 79 Ca 0.04 0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 57.33 3pcb s TYR 79 Cb -0.08 -2.87 0.16 0.00 -0.40 0.00 0.00 41.96 38.78 3pcb s TYR 79 CO 0.00 -0.36 0.86 -0.65 -1.57 0.00 0.00 175.55 173.83 3pcb s GLN 80 N 2.52 3.46 0.15 -0.62 -1.52 -1.26 -4.90 119.66 117.50 3pcb s GLN 80 Ca 0.26 -1.98 0.05 0.00 -1.95 0.00 0.00 55.36 51.73 3pcb s GLN 80 Cb -0.15 -4.54 -0.08 0.00 -0.22 0.00 0.00 33.01 28.01 3pcb s GLN 80 CO 0.09 -1.49 1.34 0.38 -0.25 0.00 0.00 175.29 175.36 3pcb h ASP 81 N 8.44 0.11 -2.29 5.90 2.03 -1.97 -3.21 116.42 125.41 3pcb h ASP 81 Ca 0.02 -0.10 -0.53 0.00 -0.73 0.00 0.00 57.03 55.70 3pcb h ASP 81 Cb 1.05 -0.03 -0.06 0.00 -0.83 0.00 0.00 39.33 39.46 3pcb h ASP 81 CO 0.94 0.98 1.19 0.00 -1.03 0.00 0.00 179.24 181.33 3pcb s ALA 82 N -2.96 2.52 0.01 4.15 0.00 -1.26 -4.94 121.76 119.29 3pcb s ALA 82 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3pcb s ALA 82 Cb 0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 3pcb s ALA 82 CO 0.82 -3.46 1.08 -0.47 0.00 0.00 0.00 175.76 173.73 3pcb s TYR 83 N 7.20 3.54 -0.24 0.00 5.04 -1.26 -4.98 117.35 126.64 3pcb s TYR 83 Ca 0.52 1.51 -0.19 0.00 -2.44 0.00 0.00 57.07 56.47 3pcb s TYR 83 Cb -0.11 -3.26 0.07 0.00 0.35 0.00 0.00 41.96 39.01 3pcb s TYR 83 CO 0.20 -0.59 0.63 1.21 -1.34 0.00 0.00 175.55 175.66 3pcb s ASN 84 N 1.07 -0.72 0.36 4.32 3.84 -1.26 -5.03 114.94 117.51 3pcb s ASN 84 Ca 0.55 1.30 0.27 0.00 0.21 0.00 0.00 52.86 55.19 3pcb s ASN 84 Cb -0.24 1.27 1.06 0.00 -0.55 0.00 0.00 41.25 42.79 3pcb s ASN 84 CO 0.27 -0.22 1.80 -0.07 -2.79 0.00 0.00 177.10 176.09 3pcb h LEU 85 N 5.78 0.00 -0.23 3.21 3.38 -1.96 -2.89 115.31 122.61 3pcb h LEU 85 Ca -0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 3pcb h LEU 85 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pcb h LEU 85 CO 0.14 0.00 -0.91 -0.33 0.09 0.00 0.00 178.44 177.43 3pcb h GLU 86 N 0.00 0.29 -6.84 1.13 5.08 -2.00 -3.46 114.58 108.77 3pcb h GLU 86 Ca 0.00 -0.31 -0.57 0.00 -1.00 0.00 0.00 59.36 57.48 3pcb h GLU 86 Cb 0.48 0.09 0.15 0.00 0.50 0.00 0.00 28.75 29.97 3pcb h GLU 86 CO 0.00 1.02 0.29 0.09 -1.00 0.00 0.00 179.01 179.41 3pcb n ASN 87 N -3.69 1.55 0.15 1.42 3.02 -1.09 -4.90 115.26 111.71 3pcb n ASN 87 Ca -0.05 0.94 0.03 0.00 -0.03 0.00 0.00 54.58 55.46 3pcb n ASN 87 Cb 0.82 -1.44 0.13 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.15 0.76 -3.53 5.41 0.00 -1.89 -3.44 119.26 117.71 3pcb h ALA 88 Ca -0.48 -0.46 -0.29 0.00 0.00 0.00 0.00 54.91 53.68 3pcb h ALA 88 Cb 1.34 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.71 3pcb h ALA 88 CO 0.55 0.63 -0.72 0.12 0.00 0.00 0.00 179.25 179.83 3pcb s PHE 89 N -3.18 0.02 -0.05 0.00 5.36 -1.26 0.25 117.98 119.12 3pcb s PHE 89 Ca 0.02 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 3pcb s PHE 89 Cb 0.09 -0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 3pcb s PHE 89 CO 0.73 -0.08 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.38 3pcb s ASN 90 N 0.98 2.79 0.35 6.13 0.01 0.80 -4.97 114.94 121.03 3pcb s ASN 90 Ca -0.08 -0.46 0.17 0.00 -0.71 0.00 0.00 52.86 51.77 3pcb s ASN 90 Cb -0.12 -0.78 0.60 0.00 0.41 0.00 0.00 41.25 41.37 3pcb s ASN 90 CO -0.03 0.22 1.71 0.28 -1.51 0.00 0.00 177.10 177.76 3pcb h SER 91 N 6.13 0.00 -3.24 -1.22 0.02 -1.78 -3.44 113.55 110.02 3pcb h SER 91 Ca -0.32 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.96 3pcb h SER 91 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 3pcb h SER 91 CO 0.47 0.43 -0.61 0.12 -1.14 0.00 0.00 176.83 176.10 3pcb s PHE 92 N -3.61 3.19 0.23 3.45 5.36 -1.26 -1.23 117.98 124.12 3pcb s PHE 92 Ca -0.00 0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 56.03 3pcb s PHE 92 Cb 0.11 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 41.04 3pcb s PHE 92 CO 0.70 0.50 0.45 0.20 -1.46 0.00 0.00 175.22 175.62 3pcb s GLY 93 N -1.26 0.52 0.01 13.12 0.00 -0.66 -4.87 107.32 114.17 3pcb s GLY 93 Ca 0.17 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3pcb s GLY 93 CO 0.07 -0.65 -0.04 0.50 0.00 0.00 0.00 173.10 172.98 3pcb s ARG 94 N -4.01 0.34 0.30 2.90 0.52 -0.76 -1.44 118.95 116.79 3pcb s ARG 94 Ca 0.22 -0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 3pcb s ARG 94 Cb -0.00 -0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.27 3pcb s ARG 94 CO 0.08 0.05 0.48 -0.08 0.02 0.00 0.00 175.30 175.84 3pcb s THR 95 N -0.64 0.00 0.18 0.02 -1.32 -0.66 -1.25 115.64 111.96 3pcb s THR 95 Ca -0.05 -1.49 -0.23 0.00 -1.21 0.00 0.00 61.69 58.72 3pcb s THR 95 Cb -0.05 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.54 3pcb s THR 95 CO -0.00 0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.04 3pcb s ALA 96 N -3.48 -1.53 -0.07 11.08 0.00 -1.26 -1.45 121.76 125.05 3pcb s ALA 96 Ca 0.26 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 3pcb s ALA 96 Cb -0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3pcb s ALA 96 CO 0.14 -0.83 0.21 0.95 0.00 0.00 0.00 175.76 176.24 3pcb s THR 97 N -3.77 5.38 0.19 0.00 -4.23 -1.00 -4.23 115.64 107.99 3pcb s THR 97 Ca 0.03 0.31 -0.33 0.00 -1.18 0.00 0.00 61.69 60.53 3pcb s THR 97 Cb -0.02 -3.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 3pcb s THR 97 CO -0.09 0.56 1.60 0.35 -0.54 0.00 0.00 174.62 176.50 3pcb n THR 98 N 1.76 0.20 0.28 3.99 -2.24 -1.17 -4.41 114.28 112.70 3pcb n THR 98 Ca -0.17 -0.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.74 3pcb n THR 98 Cb 0.54 -1.69 0.92 0.00 -2.10 0.00 0.00 70.33 68.00 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 5.87 0.00 0.00 4.78 0.04 -1.95 0.16 116.94 125.83 3pcb h PHE 99 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 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 0.62 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.93 3pcb n ASP 100 N -2.78 0.00 0.15 2.17 5.75 -1.26 -4.71 116.55 115.87 3pcb n ASP 100 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.79 3pcb n ASP 100 Cb 0.10 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.46 -3.59 2.12 0.00 -1.98 -3.47 119.26 111.79 3pcb h ALA 101 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 3pcb h ALA 101 Cb 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 17.79 3pcb h ALA 101 CO 0.00 0.39 -0.38 0.41 0.00 0.00 0.00 179.25 179.67 3pcb n GLY 102 N -0.71 0.08 3.27 0.00 0.00 0.55 -4.89 105.19 103.49 3pcb n GLY 102 Ca -0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.66 2.10 0.28 1.61 2.12 -1.26 -4.45 118.70 113.44 3pcb s GLU 103 Ca 0.31 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.86 3pcb s GLU 103 Cb -0.14 -1.94 -0.03 0.00 0.26 0.00 0.00 34.13 32.28 3pcb s GLU 103 CO 0.38 0.46 0.20 1.67 -0.54 0.00 0.00 175.26 177.44 3pcb s TRP 104 N -0.42 2.98 0.01 5.30 1.48 -0.58 -3.03 118.94 124.70 3pcb s TRP 104 Ca 0.05 -0.20 -0.10 0.00 -1.06 0.00 0.00 56.10 54.79 3pcb s TRP 104 Cb -0.11 -1.52 0.01 0.00 -1.16 0.00 0.00 33.47 30.70 3pcb s TRP 104 CO 0.00 0.42 0.20 0.95 -4.06 0.00 0.00 176.95 174.46 3pcb s THR 105 N -2.22 0.09 -0.08 0.66 -4.23 -1.26 -2.41 115.64 106.18 3pcb s THR 105 Ca 0.35 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 3pcb s THR 105 Cb -0.07 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 73.13 3pcb s THR 105 CO 0.25 -0.40 0.22 -0.22 -0.54 0.00 0.00 174.62 173.93 3pcb s LEU 106 N -1.65 1.07 -0.32 4.79 2.96 -0.07 -4.84 118.68 120.62 3pcb s LEU 106 Ca -0.11 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.22 3pcb s LEU 106 Cb -0.04 0.74 0.05 0.00 0.50 0.00 0.00 46.19 47.44 3pcb s LEU 106 CO 0.00 -0.09 0.04 -1.00 -1.32 0.00 0.00 176.35 173.98 3pcb s HIS 107 N 0.26 3.28 0.00 5.38 3.76 0.38 -1.02 115.29 127.33 3pcb s HIS 107 Ca -0.01 -1.79 0.00 0.00 -0.15 0.00 0.00 55.06 53.11 3pcb s HIS 107 Cb -0.03 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.44 3pcb s HIS 107 CO -0.01 -0.79 0.00 -2.37 -0.85 0.00 0.00 174.74 170.72 3pcb n THR 108 N 4.67 0.00 -4.35 1.30 5.66 -0.94 0.70 114.28 121.33 3pcb n THR 108 Ca -0.12 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.65 3pcb n THR 108 Cb 0.44 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.01 1.92 -0.02 1.08 -7.23 -1.26 0.16 120.40 113.04 3pcb s VAL 109 Ca 0.00 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 3pcb s VAL 109 Cb 0.00 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3pcb s VAL 109 CO 0.00 -0.30 1.41 -0.75 -0.31 0.00 0.00 175.10 175.15 3pcb s LYS 110 N -2.84 4.27 0.40 4.82 2.20 -0.70 -4.86 119.74 123.03 3pcb s LYS 110 Ca 0.17 1.96 -0.27 0.00 -0.36 0.00 0.00 55.97 57.47 3pcb s LYS 110 Cb -0.06 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 3pcb s LYS 110 CO 0.07 -0.61 1.32 -1.25 -0.36 0.00 0.00 175.35 174.53 3pcb s PRO 111 N 2.65 4.02 0.90 4.03 0.04 -1.26 -4.05 135.00 141.33 3pcb s PRO 111 Ca 0.64 2.21 -0.14 0.00 0.04 0.00 0.00 61.00 63.75 3pcb s PRO 111 Cb -0.31 -2.81 0.15 0.00 0.04 0.00 0.00 34.50 31.57 3pcb s PRO 111 CO 0.26 -0.47 1.24 0.20 0.04 0.00 0.00 177.00 178.27 3pcb s GLY 112 N -0.64 1.68 0.08 0.56 0.00 -0.51 -4.67 107.32 103.82 3pcb s GLY 112 Ca 0.56 -0.91 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 3pcb s GLY 112 CO 0.51 -0.28 0.84 0.14 0.00 0.00 0.00 173.10 174.31 3pcb s VAL 113 N -3.69 4.60 0.20 1.40 1.01 -1.26 -4.41 120.40 118.25 3pcb s VAL 113 Ca 0.68 1.80 0.11 0.00 0.00 0.00 0.00 61.98 64.57 3pcb s VAL 113 Cb -0.08 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3pcb s VAL 113 CO 0.51 0.37 -0.23 0.68 0.00 0.00 0.00 175.10 176.43 3pcb s VAL 114 N -0.17 2.39 0.14 2.92 -7.23 -1.26 -4.49 120.40 112.70 3pcb s VAL 114 Ca 0.41 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3pcb s VAL 114 Cb -0.22 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3pcb s VAL 114 CO 0.26 -0.15 0.31 0.20 -0.31 0.00 0.00 175.10 175.40 3pcb s ASN 115 N -2.78 6.38 0.93 4.85 0.01 -1.26 -0.08 114.94 122.99 3pcb s ASN 115 Ca 0.22 0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.58 3pcb s ASN 115 Cb -0.08 -1.98 0.21 0.00 0.41 0.00 0.00 41.25 39.81 3pcb s ASN 115 CO 0.11 0.06 1.26 0.54 -1.51 0.00 0.00 177.10 177.56 3pcb s ASN 116 N -2.88 3.17 0.36 -1.22 2.20 0.29 -4.88 114.94 111.98 3pcb s ASN 116 Ca 0.37 -0.05 0.05 0.00 -0.94 0.00 0.00 52.86 52.29 3pcb s ASN 116 Cb -0.12 0.02 0.73 0.00 -2.00 0.00 0.00 41.25 39.88 3pcb s ASN 116 CO 0.28 -2.67 1.97 0.00 -2.94 0.00 0.00 177.10 173.74 3pcb h ALA 117 N -1.45 1.68 0.00 3.54 0.00 -2.00 -1.36 119.26 119.67 3pcb h ALA 117 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3pcb h ALA 117 Cb 1.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3pcb h ALA 117 CO 0.33 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3pcb n ALA 118 N -2.45 1.77 0.00 0.00 0.00 -1.26 -4.87 120.51 113.71 3pcb n ALA 118 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3pcb n ALA 118 Cb 0.18 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.24 0.80 3.74 0.00 0.00 -0.51 -5.07 105.19 104.39 3pcb n GLY 119 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 5.07 0.24 1.61 1.01 -1.26 -4.75 120.40 120.32 3pcb s VAL 120 Ca 0.00 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 3pcb s VAL 120 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3pcb s VAL 120 CO 0.00 0.35 1.25 -2.84 0.00 0.00 0.00 175.10 173.86 3pcb s PRO 121 N 0.33 4.45 0.14 2.72 0.02 -1.26 0.10 135.00 141.50 3pcb s PRO 121 Ca 0.30 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.33 3pcb s PRO 121 Cb -0.17 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 3pcb s PRO 121 CO 0.14 -0.12 0.31 -1.64 -0.33 0.00 0.00 177.00 175.35 3pcb s MET 122 N -0.76 3.49 0.64 5.54 -1.94 0.89 -4.47 119.30 122.69 3pcb s MET 122 Ca 0.52 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.95 3pcb s MET 122 Cb -0.36 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 3pcb s MET 122 CO 0.42 0.51 1.09 0.00 -0.01 0.00 0.00 175.02 177.02 3pcb s ALA 123 N -1.70 2.56 0.13 3.03 0.00 -1.26 -4.18 121.76 120.34 3pcb s ALA 123 Ca 0.37 0.48 -0.35 0.00 0.00 0.00 0.00 51.96 52.46 3pcb s ALA 123 Cb -0.12 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.56 3pcb s ALA 123 CO 0.28 -1.14 1.43 -2.30 0.00 0.00 0.00 175.76 174.03 3pcb n PRO 124 N -2.34 1.60 -3.55 0.00 -0.02 -1.26 -4.85 135.00 124.58 3pcb n PRO 124 Ca 0.10 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3pcb n PRO 124 Cb 0.52 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.59 -0.36 -0.17 6.00 -3.43 -1.26 -4.43 115.29 112.22 3pcb s HIS 125 Ca 0.81 0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 55.22 3pcb s HIS 125 Cb -0.82 0.37 -0.00 0.00 -1.43 0.00 0.00 32.58 30.70 3pcb s HIS 125 CO 0.44 -0.73 -0.13 0.42 -2.00 0.00 0.00 174.74 172.73 3pcb s ILE 126 N -3.48 2.78 -0.08 -5.38 1.01 -0.65 -4.60 121.20 110.82 3pcb s ILE 126 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 3pcb s ILE 126 Cb 0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3pcb s ILE 126 CO -0.10 0.50 1.00 0.20 0.00 0.00 0.00 174.94 176.54 3pcb s ASN 127 N 0.96 7.28 -0.00 3.58 0.01 -0.39 0.13 114.94 126.51 3pcb s ASN 127 Ca -0.02 1.57 0.07 0.00 -0.71 0.00 0.00 52.86 53.77 3pcb s ASN 127 Cb -0.15 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3pcb s ASN 127 CO -0.02 -0.40 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.31 3pcb s ILE 128 N 1.74 1.81 -0.13 0.60 1.01 -0.19 -2.05 121.20 123.98 3pcb s ILE 128 Ca 0.49 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3pcb s ILE 128 Cb -0.19 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.78 3pcb s ILE 128 CO 0.21 0.45 -0.16 -0.44 0.00 0.00 0.00 174.94 175.00 3pcb s SER 129 N -0.70 2.68 -0.19 3.58 0.01 -0.67 -1.06 113.70 117.34 3pcb s SER 129 Ca 0.09 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 3pcb s SER 129 Cb -0.09 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.92 3pcb s SER 129 CO -0.00 -0.01 -0.00 -0.22 0.41 0.00 0.00 173.24 173.42 3pcb s LEU 130 N 1.19 3.30 0.13 2.44 2.96 0.12 -1.92 118.68 126.90 3pcb s LEU 130 Ca -0.01 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3pcb s LEU 130 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3pcb s LEU 130 CO -0.06 0.09 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.47 3pcb s PHE 131 N 0.86 2.00 0.00 5.38 0.40 0.23 -1.91 117.98 124.94 3pcb s PHE 131 Ca 0.01 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3pcb s PHE 131 Cb -0.14 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.32 3pcb s PHE 131 CO 0.02 0.29 0.00 0.00 0.70 0.00 0.00 175.22 176.23 3pcb n ALA 132 N 0.86 0.00 -1.78 5.36 0.00 -1.26 -1.04 120.51 122.66 3pcb n ALA 132 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 3pcb n ALA 132 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 4.08 0.00 0.00 1.70 -1.25 -0.91 118.95 120.56 3pcb s ARG 133 Ca 0.00 2.53 0.00 0.00 -0.47 0.00 0.00 55.73 57.79 3pcb s ARG 133 Cb 0.00 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 3pcb s ARG 133 CO 0.00 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 3pcb n GLY 134 N 0.49 1.37 3.24 3.88 0.00 -1.26 -4.97 105.19 107.94 3pcb n GLY 134 Ca 0.01 0.00 -0.39 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 -2.47 3.92 0.14 -0.61 1.01 -0.09 -4.98 121.20 118.13 3pcb s ILE 135 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.08 3pcb s ILE 135 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3pcb s ILE 135 CO 0.00 -0.44 1.58 0.78 0.00 0.00 0.00 174.94 176.85 3pcb h ASN 136 N 8.29 0.84 -3.46 3.58 2.35 -1.89 -3.32 115.58 121.97 3pcb h ASN 136 Ca -0.21 -0.33 -0.40 0.00 -0.55 0.00 0.00 56.30 54.81 3pcb h ASN 136 Cb 1.08 -0.23 -0.34 0.00 0.05 0.00 0.00 38.32 38.88 3pcb h ASN 136 CO 0.70 0.97 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.18 3pcb s ILE 137 N -4.92 0.47 0.67 2.81 2.07 -1.26 -2.81 121.20 118.24 3pcb s ILE 137 Ca -0.12 -0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 58.87 3pcb s ILE 137 Cb 0.11 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 3pcb s ILE 137 CO 0.82 0.21 0.78 0.00 -1.91 0.00 0.00 174.94 174.84 3pcb n HIS 138 N 4.09 0.09 -3.95 3.50 1.44 -1.26 -5.00 115.22 114.13 3pcb n HIS 138 Ca -0.25 0.40 -0.35 0.00 -2.01 0.00 0.00 57.72 55.51 3pcb n HIS 138 Cb 0.51 -2.03 -0.09 0.00 0.12 0.00 0.00 29.99 28.50 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 -1.49 3.94 -0.16 2.39 1.43 -0.80 -4.91 118.68 119.07 3pcb s LEU 139 Ca 0.71 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.90 3pcb s LEU 139 Cb -0.38 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3pcb s LEU 139 CO 0.52 0.20 0.05 -1.00 0.23 0.00 0.00 176.35 176.35 3pcb s HIS 140 N 0.21 3.25 0.32 0.29 3.76 -1.26 0.15 115.29 122.01 3pcb s HIS 140 Ca 0.05 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 3pcb s HIS 140 Cb -0.12 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 3pcb s HIS 140 CO -0.00 0.22 0.38 -0.08 -0.85 0.00 0.00 174.74 174.41 3pcb s THR 141 N 0.09 0.00 0.03 1.30 -1.32 -0.22 -0.18 115.64 115.34 3pcb s THR 141 Ca 0.05 -1.76 0.03 0.00 -1.21 0.00 0.00 61.69 58.80 3pcb s THR 141 Cb -0.12 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 3pcb s THR 141 CO 0.01 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.19 3pcb s ARG 142 N -3.34 0.66 -0.22 7.08 0.52 -1.26 -1.02 118.95 121.37 3pcb s ARG 142 Ca 0.34 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.89 3pcb s ARG 142 Cb 0.01 -0.58 -0.01 0.00 0.52 0.00 0.00 34.95 34.89 3pcb s ARG 142 CO 0.21 0.14 -0.02 -1.17 0.02 0.00 0.00 175.30 174.48 3pcb s LEU 143 N -1.04 3.01 0.31 2.53 0.20 0.12 -4.75 118.68 119.07 3pcb s LEU 143 Ca -0.02 -0.34 0.08 0.00 0.69 0.00 0.00 54.13 54.54 3pcb s LEU 143 Cb -0.07 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3pcb s LEU 143 CO 0.01 -0.01 0.13 -0.31 -0.29 0.00 0.00 176.35 175.87 3pcb s TYR 144 N 1.44 2.76 -0.13 5.38 1.51 0.61 -1.63 117.35 127.30 3pcb s TYR 144 Ca 0.05 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3pcb s TYR 144 Cb -0.14 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3pcb s TYR 144 CO -0.01 0.40 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.70 3pcb s PHE 145 N -2.36 2.94 0.53 2.71 0.08 -1.26 0.14 117.98 120.75 3pcb s PHE 145 Ca 0.36 -0.32 0.28 0.00 0.12 0.00 0.00 56.93 57.37 3pcb s PHE 145 Cb -0.04 -1.87 1.66 0.00 -0.57 0.00 0.00 43.02 42.20 3pcb s PHE 145 CO 0.23 -0.00 2.18 0.38 -0.10 0.00 0.00 175.22 177.91 3pcb h ASP 146 N 6.38 0.00 -0.35 1.36 2.03 -1.27 -2.48 116.42 122.09 3pcb h ASP 146 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3pcb h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pcb h ASP 146 CO 0.59 0.05 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 3pcb n ASP 147 N -3.81 3.67 -1.18 4.15 5.75 -1.26 -3.87 116.55 120.00 3pcb n ASP 147 Ca -0.03 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 3pcb n ASP 147 Cb 0.14 -0.58 0.12 0.00 -1.03 0.00 0.00 41.12 39.77 3pcb n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcb n GLU 148 N 0.41 1.54 -0.28 0.11 -0.58 -0.93 -4.89 120.64 116.02 3pcb n GLU 148 Ca 0.16 -3.15 0.09 0.00 -0.42 0.00 0.00 57.16 53.84 3pcb n GLU 148 Cb 0.77 -1.34 0.22 0.00 -0.57 0.00 0.00 31.44 30.52 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 1.29 0.99 0.20 0.62 0.00 -1.76 0.99 119.26 121.59 3pcb h ALA 149 Ca -0.01 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3pcb h ALA 149 Cb 1.31 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 3pcb h ALA 149 CO 0.15 -0.45 -0.34 1.96 0.00 0.00 0.00 179.25 180.57 3pcb h GLN 150 N 0.13 -0.59 -0.68 0.00 4.20 -1.94 0.14 115.11 116.36 3pcb h GLN 150 Ca 0.48 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.21 3pcb h GLN 150 Cb 0.91 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 3pcb h GLN 150 CO -0.69 -0.40 0.35 0.00 -0.67 0.00 0.00 178.83 177.42 3pcb h ALA 151 N -0.05 0.87 -0.83 3.87 0.00 -1.68 -2.65 119.26 118.80 3pcb h ALA 151 Ca 0.01 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3pcb h ALA 151 Cb 0.61 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3pcb h ALA 151 CO -0.15 0.41 0.54 -0.91 0.00 0.00 0.00 179.25 179.14 3pcb h ASN 152 N 0.94 0.87 0.43 0.00 2.35 -0.37 -1.86 115.58 117.94 3pcb h ASN 152 Ca 0.24 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3pcb h ASN 152 Cb 0.07 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3pcb h ASN 152 CO -0.03 0.60 -0.14 0.00 -1.65 0.00 0.00 177.43 176.21 3pcb h ALA 153 N 1.52 1.25 -0.51 -0.83 0.00 -0.36 -2.83 119.26 117.51 3pcb h ALA 153 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3pcb h ALA 153 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3pcb h ALA 153 CO -0.10 0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.95 3pcb n LYS 154 N -3.62 2.95 -2.22 0.00 5.02 -0.74 -4.95 118.16 114.59 3pcb n LYS 154 Ca -0.02 -2.42 -0.42 0.00 -2.02 0.00 0.00 58.31 53.44 3pcb n LYS 154 Cb 0.26 -1.49 -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 7.56 0.00 0.02 0.00 0.13 -1.92 -0.51 132.00 137.28 3pcb h PRO 156 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3pcb h PRO 156 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3pcb h PRO 156 CO 0.89 0.15 -0.01 0.28 -0.23 0.00 0.00 178.00 179.08 3pcb h VAL 157 N 0.00 1.27 -0.46 1.56 2.07 -1.94 -3.17 116.25 115.58 3pcb h VAL 157 Ca -0.00 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.74 3pcb h VAL 157 Cb 0.33 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3pcb h VAL 157 CO 0.02 0.41 0.31 0.25 0.02 0.00 0.00 177.57 178.58 3pcb h LEU 158 N -0.95 0.39 -1.21 2.57 5.85 -1.88 -1.11 115.31 118.98 3pcb h LEU 158 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3pcb h LEU 158 Cb 0.69 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3pcb h LEU 158 CO 0.01 0.27 0.00 0.78 -0.34 0.00 0.00 178.44 179.15 3pcb h ASN 159 N 0.45 0.00 1.33 1.25 2.35 -1.15 -2.62 115.58 117.19 3pcb h ASN 159 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3pcb h ASN 159 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3pcb h ASN 159 CO -0.05 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.66 3pcb h LEU 160 N 0.00 0.00 -8.89 1.61 3.38 -1.17 -3.42 115.31 106.82 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 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 3pcb h LEU 160 CO 0.00 0.00 0.69 -0.63 0.09 0.00 0.00 178.44 178.59 3pcb s ILE 161 N -3.23 4.56 0.06 1.22 1.01 -0.99 -4.95 121.20 118.89 3pcb s ILE 161 Ca 0.08 1.42 -0.17 0.00 0.00 0.00 0.00 60.65 61.98 3pcb s ILE 161 Cb 0.10 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 3pcb s ILE 161 CO 0.55 -0.50 1.28 -0.33 0.00 0.00 0.00 174.94 175.95 3pcb h GLU 162 N 8.30 -0.25 -6.25 2.79 5.08 -1.89 -3.41 114.58 118.97 3pcb h GLU 162 Ca -0.22 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.59 3pcb h GLU 162 Cb 1.07 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3pcb h GLU 162 CO 1.00 -0.16 0.96 -0.65 -1.00 0.00 0.00 179.01 179.15 3pcb s GLN 163 N -4.38 4.06 0.25 2.33 -1.52 -1.26 -4.94 119.66 114.19 3pcb s GLN 163 Ca -0.08 1.49 -0.04 0.00 -1.95 0.00 0.00 55.36 54.79 3pcb s GLN 163 Cb 0.04 -3.84 0.46 0.00 -0.22 0.00 0.00 33.01 29.45 3pcb s GLN 163 CO 0.32 -0.94 1.74 -1.35 -0.25 0.00 0.00 175.29 174.80 3pcb h PRO 164 N 8.92 0.47 -0.31 2.91 0.11 -1.98 -0.80 132.00 141.32 3pcb h PRO 164 Ca -0.27 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.88 3pcb h PRO 164 Cb 1.11 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3pcb h PRO 164 CO 1.00 0.31 0.22 1.96 -0.21 0.00 0.00 178.00 181.28 3pcb h GLN 165 N 0.48 0.11 0.00 1.05 7.50 -1.96 -2.04 115.11 120.25 3pcb h GLN 165 Ca 0.42 -0.01 -0.16 0.00 0.50 0.00 0.00 58.65 59.40 3pcb h GLN 165 Cb 0.61 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.10 3pcb h GLN 165 CO -0.39 0.07 -0.78 0.00 -1.50 0.00 0.00 178.83 176.24 3pcb h ARG 166 N 0.11 0.00 -0.23 1.46 3.08 -1.54 -3.15 114.38 114.11 3pcb h ARG 166 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3pcb h ARG 166 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3pcb h ARG 166 CO -0.02 0.78 0.06 0.00 -1.07 0.00 0.00 179.97 179.72 3pcb h ARG 167 N 0.00 0.32 -0.42 0.04 3.08 -1.30 -2.58 114.38 113.53 3pcb h ARG 167 Ca -0.01 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.09 3pcb h ARG 167 Cb 1.40 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3pcb h ARG 167 CO 0.10 0.30 0.29 0.93 -1.07 0.00 0.00 179.97 180.52 3pcb h GLU 168 N 0.32 0.19 0.00 0.04 5.08 -1.58 -2.43 114.58 116.22 3pcb h GLU 168 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3pcb h GLU 168 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3pcb h GLU 168 CO -0.00 0.13 0.00 1.79 -1.00 0.00 0.00 179.01 179.92 3pcb h THR 169 N 0.20 0.00 -0.19 1.13 1.35 -1.63 -2.56 112.91 111.21 3pcb h THR 169 Ca 0.19 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3pcb h THR 169 Cb 0.50 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3pcb h THR 169 CO -0.03 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.42 3pcb n LEU 170 N -2.94 2.46 -4.51 3.87 4.77 -0.91 -4.83 117.00 114.91 3pcb n LEU 170 Ca -0.01 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.59 3pcb n LEU 170 Cb 0.16 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 3pcb n LEU 170 CO 0.21 0.49 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.00 3pcb s ILE 171 N -1.77 5.19 0.28 -0.08 1.01 -0.97 -0.28 121.20 124.58 3pcb s ILE 171 Ca 0.34 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3pcb s ILE 171 Cb 0.20 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 3pcb s ILE 171 CO 0.30 -0.05 1.05 0.00 0.00 0.00 0.00 174.94 176.24 3pcb s ALA 172 N 1.70 3.35 -0.31 9.38 0.00 0.37 -4.84 121.76 131.42 3pcb s ALA 172 Ca 0.06 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3pcb s ALA 172 Cb -0.18 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3pcb s ALA 172 CO 0.10 -0.07 0.31 0.15 0.00 0.00 0.00 175.76 176.26 3pcb s LYS 173 N -1.50 3.75 0.28 0.00 1.02 -0.65 -0.75 119.74 121.88 3pcb s LYS 173 Ca 0.45 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.83 3pcb s LYS 173 Cb -0.29 -3.74 -0.11 0.00 -0.52 0.00 0.00 37.83 33.18 3pcb s LYS 173 CO 0.37 -0.38 1.49 0.50 -0.92 0.00 0.00 175.35 176.42 3pcb s ARG 174 N 1.94 4.21 0.00 1.68 3.52 -1.26 -1.82 118.95 127.21 3pcb s ARG 174 Ca 0.11 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 3pcb s ARG 174 Cb -0.16 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3pcb s ARG 174 CO 0.11 -0.50 0.00 0.00 -0.81 0.00 0.00 175.30 174.10 3pcb s GLU 176 N 0.07 0.26 -0.18 0.00 2.12 -1.26 -1.75 118.70 117.96 3pcb s GLU 176 Ca 0.00 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.01 3pcb s GLU 176 Cb 0.00 -0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.35 3pcb s GLU 176 CO 0.00 -0.18 -0.18 0.08 -0.54 0.00 0.00 175.26 174.44 3pcb s VAL 177 N 1.55 2.26 -1.30 3.70 1.01 0.22 -4.71 120.40 123.13 3pcb s VAL 177 Ca -0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 3pcb s VAL 177 Cb -0.10 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3pcb s VAL 177 CO -0.10 0.52 0.55 0.47 0.00 0.00 0.00 175.10 176.54 3pcb n ASP 178 N 4.60 -2.56 -2.17 3.32 8.00 -1.26 0.64 116.55 127.12 3pcb n ASP 178 Ca -0.21 -1.10 -0.14 0.00 0.71 0.00 0.00 54.79 54.06 3pcb n ASP 178 Cb 0.50 -2.74 -0.02 0.00 -0.02 0.00 0.00 41.12 38.84 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 -1.97 -0.04 3.38 0.44 0.00 -1.26 -4.95 105.19 100.79 3pcb n GLY 179 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.56 2.44 -0.06 1.61 2.47 0.21 -5.09 119.74 116.76 3pcb s LYS 180 Ca 0.00 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.30 3pcb s LYS 180 Cb 0.00 -2.24 -0.05 0.00 -1.46 0.00 0.00 37.83 34.07 3pcb s LYS 180 CO 0.00 0.53 1.61 0.99 0.16 0.00 0.00 175.35 178.64 3pcb s THR 181 N -0.52 3.62 0.13 3.43 2.01 -1.26 0.73 115.64 123.78 3pcb s THR 181 Ca 0.07 0.78 0.06 0.00 0.31 0.00 0.00 61.69 62.91 3pcb s THR 181 Cb -0.11 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3pcb s THR 181 CO 0.01 -0.06 -0.14 0.00 -0.69 0.00 0.00 174.62 173.73 3pcb s ALA 182 N 3.86 1.56 -0.04 7.40 0.00 -0.72 -0.98 121.76 132.84 3pcb s ALA 182 Ca 0.71 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3pcb s ALA 182 Cb -0.33 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3pcb s ALA 182 CO 0.28 0.11 -0.03 0.71 0.00 0.00 0.00 175.76 176.84 3pcb s TYR 183 N -2.17 0.62 -0.19 0.00 1.51 -0.14 0.14 117.35 117.12 3pcb s TYR 183 Ca 0.10 -0.15 -0.12 0.00 -1.01 0.00 0.00 57.07 55.90 3pcb s TYR 183 Cb -0.05 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 3pcb s TYR 183 CO 0.03 -0.19 0.21 0.50 -1.11 0.00 0.00 175.55 174.99 3pcb s ARG 184 N 1.05 4.20 -0.31 -0.62 3.52 -0.76 -1.64 118.95 124.38 3pcb s ARG 184 Ca -0.09 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 3pcb s ARG 184 Cb -0.14 -3.45 0.11 0.00 -1.56 0.00 0.00 34.95 29.92 3pcb s ARG 184 CO -0.01 0.22 0.14 0.12 -0.81 0.00 0.00 175.30 174.97 3pcb s PHE 185 N 0.55 0.80 0.18 5.12 5.36 -0.31 -1.64 117.98 128.04 3pcb s PHE 185 Ca 0.11 -1.30 -0.17 0.00 -0.96 0.00 0.00 56.93 54.61 3pcb s PHE 185 Cb -0.12 -1.14 -0.07 0.00 -0.34 0.00 0.00 43.02 41.34 3pcb s PHE 185 CO 0.01 -0.84 0.63 -0.51 -1.46 0.00 0.00 175.22 173.05 3pcb s ASP 186 N 1.69 6.94 -0.17 6.13 1.01 -1.26 -4.07 116.67 126.93 3pcb s ASP 186 Ca 0.11 1.24 -0.00 0.00 0.71 0.00 0.00 52.55 54.61 3pcb s ASP 186 Cb -0.18 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3pcb s ASP 186 CO -0.25 0.08 -0.15 -0.63 0.21 0.00 0.00 175.17 174.43 3pcb s ILE 187 N -1.48 2.58 -0.35 0.77 1.01 0.03 -4.96 121.20 118.81 3pcb s ILE 187 Ca 0.40 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 3pcb s ILE 187 Cb -0.16 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.27 3pcb s ILE 187 CO 0.20 0.51 0.10 -0.13 0.00 0.00 0.00 174.94 175.62 3pcb s ARG 188 N 1.10 2.47 0.28 2.79 0.52 -1.26 -0.48 118.95 124.36 3pcb s ARG 188 Ca 0.00 -1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 53.86 3pcb s ARG 188 Cb -0.14 -3.42 0.38 0.00 0.52 0.00 0.00 34.95 32.28 3pcb s ARG 188 CO -0.05 -0.74 1.85 0.82 0.02 0.00 0.00 175.30 177.20 3pcb h ILE 189 N 6.28 1.23 -3.09 1.52 2.04 -1.62 0.83 117.51 124.70 3pcb h ILE 189 Ca -0.21 -0.72 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 3pcb h ILE 189 Cb 1.07 0.48 -0.21 0.00 -0.74 0.00 0.00 36.82 37.42 3pcb h ILE 189 CO 0.61 0.29 -0.32 -1.58 0.00 0.00 0.00 178.15 177.14 3pcb s GLN 190 N -5.41 0.58 1.09 2.37 0.74 -1.26 -4.74 119.66 113.03 3pcb s GLN 190 Ca -0.11 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3pcb s GLN 190 Cb 0.16 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3pcb s GLN 190 CO 0.80 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 3pcb n GLY 191 N 1.64 -0.37 3.67 2.59 0.00 -1.26 -4.13 105.19 107.32 3pcb n GLY 191 Ca -0.20 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 2.70 -0.99 1.61 2.13 -1.26 -0.91 120.64 123.91 3pcb n GLU 192 Ca 0.00 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.81 3pcb n GLU 192 Cb 0.00 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 28.80 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 4.49 0.42 3.60 8.31 0.00 -1.26 -4.98 105.19 115.77 3pcb n GLY 193 Ca 0.20 -0.73 -0.50 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.99 1.34 -2.32 1.61 2.13 -0.09 -4.63 120.64 115.69 3pcb n GLU 194 Ca 0.00 0.48 -0.40 0.00 0.66 0.00 0.00 57.16 57.91 3pcb n GLU 194 Cb 0.00 -2.11 -0.03 0.00 0.27 0.00 0.00 31.44 29.57 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 0.36 3.17 0.14 6.31 2.01 0.29 -4.95 115.64 122.97 3pcb s THR 195 Ca 0.80 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 3pcb s THR 195 Cb -0.88 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 3pcb s THR 195 CO 0.47 0.20 1.29 -0.69 -0.69 0.00 0.00 174.62 175.19 3pcb s VAL 196 N -1.26 3.49 0.01 3.82 1.01 -1.26 -4.94 120.40 121.26 3pcb s VAL 196 Ca 0.51 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3pcb s VAL 196 Cb -0.33 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3pcb s VAL 196 CO 0.43 0.13 -0.24 -0.36 0.00 0.00 0.00 175.10 175.06 3pcb s PHE 197 N 0.58 2.15 0.26 5.22 0.08 -1.26 -4.63 117.98 120.38 3pcb s PHE 197 Ca 0.59 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.31 3pcb s PHE 197 Cb -0.34 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3pcb s PHE 197 CO 0.33 0.04 0.12 -0.06 -0.10 0.00 0.00 175.22 175.55 3pcb s PHE 198 N -0.68 2.95 -0.07 0.36 0.08 0.75 -5.00 117.98 116.37 3pcb s PHE 198 Ca 0.10 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.02 3pcb s PHE 198 Cb -0.09 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3pcb s PHE 198 CO 0.01 0.56 -0.15 0.34 -0.10 0.00 0.00 175.22 175.87 3pcb s ASP 199 N -3.76 2.12 0.00 1.36 2.15 -1.26 -4.30 116.67 112.98 3pcb s ASP 199 Ca 0.32 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.93 3pcb s ASP 199 Cb -0.07 -0.98 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 3pcb s ASP 199 CO 0.23 0.07 0.00 2.22 -0.17 0.00 0.00 175.17 177.52