#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcj s ILE 2 N 0.00 4.33 -0.10 4.25 -1.09 -1.26 -5.05 121.20 122.29 3pcj s ILE 2 Ca 0.00 2.02 0.02 0.00 -2.23 0.00 0.00 60.65 60.46 3pcj s ILE 2 Cb 0.00 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 3pcj s ILE 2 CO 0.00 0.41 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.36 3pcj s GLU 3 N -0.57 2.17 0.48 2.79 0.41 -1.26 -5.14 118.70 117.58 3pcj s GLU 3 Ca 0.43 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 54.43 3pcj s GLU 3 Cb -0.24 -1.83 0.10 0.00 -1.78 0.00 0.00 34.13 30.38 3pcj s GLU 3 CO 0.30 -0.04 0.66 1.28 -0.49 0.00 0.00 175.26 176.97 3pcj n LEU 4 N 4.12 0.00 -4.77 1.80 4.32 -1.26 -5.03 117.00 116.19 3pcj n LEU 4 Ca -0.19 -1.30 -0.40 0.00 -0.02 0.00 0.00 56.01 54.09 3pcj n LEU 4 Cb 0.51 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 3pcj n LEU 4 CO 0.24 -0.85 0.91 -0.76 -1.22 0.00 0.00 177.39 175.71 3pcj s LEU 5 N 0.00 4.43 0.29 2.23 1.43 -1.26 -4.96 118.68 120.84 3pcj s LEU 5 Ca 0.43 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 3pcj s LEU 5 Cb -0.02 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3pcj s LEU 5 CO 0.29 -0.44 1.18 -2.84 0.23 0.00 0.00 176.35 174.76 3pcj s PRO 6 N -1.76 4.53 0.38 1.29 0.02 -1.26 -4.99 135.00 133.22 3pcj s PRO 6 Ca 0.49 1.95 -0.26 0.00 0.02 0.00 0.00 61.00 63.19 3pcj s PRO 6 Cb -0.36 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 30.91 3pcj s PRO 6 CO 0.48 0.06 1.23 -2.00 -0.33 0.00 0.00 177.00 176.43 3pcj s GLU 7 N -1.47 4.11 0.18 5.54 2.12 -1.26 -4.94 118.70 122.98 3pcj s GLU 7 Ca 0.47 1.99 -0.33 0.00 0.36 0.00 0.00 54.97 57.45 3pcj s GLU 7 Cb -0.35 -2.80 -0.14 0.00 0.26 0.00 0.00 34.13 31.11 3pcj s GLU 7 CO 0.45 -0.32 1.47 2.41 -0.54 0.00 0.00 175.26 178.73 3pcj n THR 8 N 0.28 0.34 -2.22 -1.70 -1.04 -1.26 -4.91 114.28 103.77 3pcj n THR 8 Ca 0.03 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 3pcj n THR 8 Cb 0.45 -1.39 -0.01 0.00 -1.82 0.00 0.00 70.33 67.55 3pcj n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3pcj s PRO 9 N 0.37 3.98 0.59 -2.82 0.02 -1.26 -5.02 135.00 130.87 3pcj s PRO 9 Ca 0.76 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 63.56 3pcj s PRO 9 Cb -0.71 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3pcj s PRO 9 CO 0.43 -0.40 1.03 0.45 -0.33 0.00 0.00 177.00 178.18 3pcj s SER 10 N -1.05 6.10 0.04 2.53 0.15 -1.26 -5.09 113.70 115.12 3pcj s SER 10 Ca 0.58 1.59 -0.00 0.00 0.70 0.00 0.00 55.95 58.82 3pcj s SER 10 Cb -0.33 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.45 3pcj s SER 10 CO 0.41 -0.95 -0.03 -1.10 1.20 0.00 0.00 173.24 172.77 3pcj s GLN 11 N -4.55 0.46 0.70 5.44 -1.52 -1.20 -4.89 119.66 114.10 3pcj s GLN 11 Ca 0.59 -0.91 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 3pcj s GLN 11 Cb -0.12 0.15 0.01 0.00 -0.22 0.00 0.00 33.01 32.83 3pcj s GLN 11 CO 0.43 -0.08 1.10 -2.37 -0.25 0.00 0.00 175.29 174.12 3pcj n THR 12 N 0.86 3.46 0.18 -0.19 5.66 -1.20 -4.74 114.28 118.32 3pcj n THR 12 Ca -0.19 -0.40 0.07 0.00 -3.05 0.00 0.00 64.05 60.47 3pcj n THR 12 Cb 0.58 -1.24 0.24 0.00 -1.55 0.00 0.00 70.33 68.36 3pcj n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcj h ALA 13 N -0.03 0.87 0.00 1.79 0.00 -1.74 -3.50 119.26 116.65 3pcj h ALA 13 Ca -0.48 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3pcj h ALA 13 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcj h ALA 13 CO 0.49 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.56 3pcj n GLY 14 N 0.70 -1.79 0.25 0.00 0.00 -1.26 -4.11 105.19 98.99 3pcj n GLY 14 Ca 0.01 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.62 3pcj n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcj h PRO 15 N 0.00 0.00 -0.54 1.61 0.13 -1.92 -3.24 132.00 128.04 3pcj h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcj h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcj h PRO 15 CO 0.00 0.13 0.00 0.66 -0.23 0.00 0.00 178.00 178.56 3pcj n TYR 16 N -3.82 1.64 -0.35 1.56 4.01 -1.26 -4.62 117.16 114.32 3pcj n TYR 16 Ca -0.02 -0.71 0.33 0.00 -0.16 0.00 0.00 57.90 57.34 3pcj n TYR 16 Cb 0.23 -0.37 0.69 0.00 -0.31 0.00 0.00 39.34 39.58 3pcj n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcj h VAL 17 N 3.60 0.39 -0.78 -0.72 3.04 -1.71 -1.06 116.25 119.01 3pcj h VAL 17 Ca 0.00 -0.04 0.09 0.00 -1.01 0.00 0.00 66.70 65.74 3pcj h VAL 17 Cb 1.68 0.27 -0.05 0.00 -2.01 0.00 0.00 31.29 31.18 3pcj h VAL 17 CO 0.34 0.02 0.51 0.45 -1.01 0.00 0.00 177.57 177.89 3pcj h HIS 18 N 0.11 0.78 -0.38 3.17 3.86 -1.85 -0.01 115.15 120.82 3pcj h HIS 18 Ca 0.61 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 3pcj h HIS 18 Cb 2.18 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 30.38 3pcj h HIS 18 CO -0.00 0.37 0.25 -0.84 0.86 0.00 0.00 177.93 178.57 3pcj h ILE 19 N 0.73 1.10 0.06 2.45 3.07 -1.42 -0.85 117.51 122.65 3pcj h ILE 19 Ca 0.36 -0.19 -0.36 0.00 1.55 0.00 0.00 64.86 66.21 3pcj h ILE 19 Cb 0.41 0.54 -0.04 0.00 -0.27 0.00 0.00 36.82 37.46 3pcj h ILE 19 CO -0.13 0.10 -2.14 0.61 -1.05 0.00 0.00 178.15 175.53 3pcj n GLY 20 N -1.47 -0.60 0.13 0.16 0.00 -0.57 -4.58 105.19 98.27 3pcj n GLY 20 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3pcj n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcj n LEU 21 N -3.29 1.01 -2.89 0.99 4.77 -0.13 -4.79 117.00 112.68 3pcj n LEU 21 Ca -0.34 -0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 54.68 3pcj n LEU 21 Cb 1.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.17 3pcj n LEU 21 CO 0.38 0.22 0.12 0.00 -1.33 0.00 0.00 177.39 176.78 3pcj n ALA 22 N -0.19 0.14 -0.37 -1.18 0.00 -0.38 -4.97 120.51 113.56 3pcj n ALA 22 Ca 0.02 -2.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.23 3pcj n ALA 22 Cb 0.11 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 3pcj n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3pcj n LEU 23 N 0.54 -0.94 -0.15 0.00 4.32 -0.85 -2.12 117.00 117.80 3pcj n LEU 23 Ca 0.13 1.65 -0.05 0.00 -0.02 0.00 0.00 56.01 57.72 3pcj n LEU 23 Cb 0.67 -0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 3pcj n LEU 23 CO 0.10 -1.32 0.49 -0.08 -1.22 0.00 0.00 177.39 175.36 3pcj h GLU 24 N 0.00 -0.03 -0.78 3.23 4.81 -1.86 0.12 114.58 120.07 3pcj h GLU 24 Ca 0.14 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.60 3pcj h GLU 24 Cb 0.36 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3pcj h GLU 24 CO -0.83 -0.02 0.56 0.00 -0.73 0.00 0.00 179.01 177.99 3pcj h ALA 25 N -0.48 2.71 0.00 2.92 0.00 -1.77 1.89 119.26 124.54 3pcj h ALA 25 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3pcj h ALA 25 Cb 0.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3pcj h ALA 25 CO -0.35 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 177.97 3pcj h ALA 26 N 1.61 1.00 -0.57 0.00 0.00 -0.23 -3.45 119.26 117.61 3pcj h ALA 26 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3pcj h ALA 26 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3pcj h ALA 26 CO -0.01 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.63 3pcj n GLY 27 N -0.12 0.60 3.38 0.00 0.00 0.64 -4.97 105.19 104.72 3pcj n GLY 27 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3pcj n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcj s ASN 28 N -2.99 3.05 0.26 1.61 0.01 -1.02 -5.04 114.94 110.82 3pcj s ASN 28 Ca 0.01 -0.87 -0.30 0.00 -0.71 0.00 0.00 52.86 50.99 3pcj s ASN 28 Cb -0.00 -0.21 -0.13 0.00 0.41 0.00 0.00 41.25 41.32 3pcj s ASN 28 CO 0.01 0.04 1.39 -0.81 -1.51 0.00 0.00 177.10 176.22 3pcj n PRO 29 N 0.25 2.07 -2.83 -0.60 -0.04 -1.26 -3.79 135.00 128.81 3pcj n PRO 29 Ca -0.13 0.73 -0.19 0.00 -0.04 0.00 0.00 63.50 63.88 3pcj n PRO 29 Cb 0.57 -2.38 0.03 0.00 -0.04 0.00 0.00 33.50 31.67 3pcj n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcj s THR 30 N -0.27 2.81 0.57 0.52 -4.23 -1.26 -4.85 115.64 108.94 3pcj s THR 30 Ca 0.65 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 3pcj s THR 30 Cb -0.63 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.28 3pcj s THR 30 CO 0.52 0.00 0.80 -0.13 -0.54 0.00 0.00 174.62 175.27 3pcj s ARG 31 N -4.56 2.43 0.18 3.99 0.52 -1.26 -5.01 118.95 115.23 3pcj s ARG 31 Ca 0.56 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.74 3pcj s ARG 31 Cb -0.10 -2.48 0.14 0.00 0.52 0.00 0.00 34.95 33.02 3pcj s ARG 31 CO 0.36 -0.80 1.65 -0.44 0.02 0.00 0.00 175.30 176.09 3pcj h ASP 32 N 0.01 -0.45 -3.17 0.23 3.32 -2.07 -3.39 116.42 110.90 3pcj h ASP 32 Ca -0.41 0.14 -0.64 0.00 0.02 0.00 0.00 57.03 56.14 3pcj h ASP 32 Cb 1.29 0.30 -0.36 0.00 0.22 0.00 0.00 39.33 40.78 3pcj h ASP 32 CO 0.50 -0.16 -0.84 -1.10 -1.72 0.00 0.00 179.24 175.92 3pcj s GLN 33 N -6.22 2.58 0.14 3.56 -0.21 -1.26 -5.12 119.66 113.14 3pcj s GLN 33 Ca -0.14 -0.77 0.11 0.00 0.02 0.00 0.00 55.36 54.58 3pcj s GLN 33 Cb 0.16 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3pcj s GLN 33 CO 0.72 -0.27 -0.25 -1.21 -2.12 0.00 0.00 175.29 172.16 3pcj s GLU 34 N 1.36 1.39 -0.39 2.91 0.41 -1.26 -5.11 118.70 118.01 3pcj s GLU 34 Ca 0.03 -1.37 -0.19 0.00 -0.41 0.00 0.00 54.97 53.03 3pcj s GLU 34 Cb -0.14 -1.80 0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3pcj s GLU 34 CO -0.11 0.41 0.54 0.42 -0.49 0.00 0.00 175.26 176.04 3pcj s ILE 35 N -1.26 4.97 0.00 -1.63 1.01 -1.26 -5.03 121.20 117.99 3pcj s ILE 35 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3pcj s ILE 35 Cb -0.09 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3pcj s ILE 35 CO 0.07 -0.37 0.00 1.87 0.00 0.00 0.00 174.94 176.51 3pcj n TRP 36 N 5.89 0.00 0.57 3.97 -0.00 -1.26 -4.60 117.44 122.00 3pcj n TRP 36 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.47 3pcj n TRP 36 Cb 0.48 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.88 3pcj n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcj n ASN 37 N -0.88 2.16 -3.89 5.87 6.94 -0.32 -2.50 115.26 122.65 3pcj n ASN 37 Ca 0.00 -2.22 -0.29 0.00 -0.02 0.00 0.00 54.58 52.05 3pcj n ASN 37 Cb 0.00 -0.55 -0.13 0.00 -2.36 0.00 0.00 39.78 36.75 3pcj n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcj s ARG 38 N -1.35 2.22 0.18 -3.83 3.52 -1.26 0.27 118.95 118.71 3pcj s ARG 38 Ca 0.12 -3.03 -0.02 0.00 -0.13 0.00 0.00 55.73 52.67 3pcj s ARG 38 Cb 0.10 -3.29 0.09 0.00 -1.56 0.00 0.00 34.95 30.28 3pcj s ARG 38 CO 0.03 -1.23 1.47 -0.07 -0.81 0.00 0.00 175.30 174.69 3pcj h LEU 39 N 5.81 0.52 -9.03 -0.88 4.07 -0.64 -3.45 115.31 111.72 3pcj h LEU 39 Ca 0.07 -0.32 -0.67 0.00 0.08 0.00 0.00 57.88 57.04 3pcj h LEU 39 Cb 0.81 -0.15 -0.20 0.00 1.08 0.00 0.00 40.66 42.20 3pcj h LEU 39 CO 0.69 1.04 -0.69 0.00 -1.08 0.00 0.00 178.44 178.40 3pcj s ALA 40 N -3.77 2.99 0.15 1.53 0.00 -1.17 -0.70 121.76 120.79 3pcj s ALA 40 Ca -0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 3pcj s ALA 40 Cb 0.11 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 3pcj s ALA 40 CO 0.84 0.48 0.62 0.15 0.00 0.00 0.00 175.76 177.84 3pcj s LYS 41 N -0.50 4.14 0.27 0.00 1.02 0.85 -4.83 119.74 120.69 3pcj s LYS 41 Ca 0.07 0.69 0.12 0.00 0.02 0.00 0.00 55.97 56.87 3pcj s LYS 41 Cb -0.12 -3.00 0.91 0.00 -0.52 0.00 0.00 37.83 35.11 3pcj s LYS 41 CO 0.02 0.49 1.21 -2.30 -0.92 0.00 0.00 175.35 173.86 3pcj n PRO 42 N 1.02 -0.05 -0.20 -1.68 -0.02 -1.26 0.12 135.00 132.92 3pcj n PRO 42 Ca -0.06 1.09 0.01 0.00 -2.02 0.00 0.00 63.50 62.53 3pcj n PRO 42 Cb 0.51 -1.89 0.09 0.00 -0.02 0.00 0.00 33.50 32.19 3pcj n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3pcj n ASP 43 N -4.84 2.09 -4.77 2.55 5.75 -1.26 -4.88 116.55 111.20 3pcj n ASP 43 Ca 0.26 -2.21 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 3pcj n ASP 43 Cb 0.88 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 3pcj n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcj s ALA 44 N -1.39 3.49 0.35 2.12 0.00 0.32 -5.02 121.76 121.62 3pcj s ALA 44 Ca 0.12 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 3pcj s ALA 44 Cb 0.09 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.37 3pcj s ALA 44 CO 0.04 0.18 1.33 -1.25 0.00 0.00 0.00 175.76 176.06 3pcj s PRO 45 N -0.27 4.28 0.00 0.00 0.04 -1.26 -4.87 135.00 132.92 3pcj s PRO 45 Ca 0.31 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3pcj s PRO 45 Cb -0.18 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3pcj s PRO 45 CO 0.18 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.36 3pcj n GLY 46 N 0.74 1.92 3.58 0.56 0.00 -1.26 -4.55 105.19 106.17 3pcj n GLY 46 Ca 0.01 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 3pcj n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 47 N -1.60 3.61 0.01 1.61 2.12 -1.26 -4.93 118.70 118.26 3pcj s GLU 47 Ca 0.00 0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 3pcj s GLU 47 Cb 0.00 -3.92 -0.06 0.00 0.26 0.00 0.00 34.13 30.40 3pcj s GLU 47 CO 0.00 -1.32 1.58 -1.01 -0.54 0.00 0.00 175.26 173.96 3pcj s HIS 48 N 4.14 2.40 0.10 5.30 3.76 -1.26 -1.25 115.29 128.48 3pcj s HIS 48 Ca 0.42 0.43 0.03 0.00 -0.15 0.00 0.00 55.06 55.79 3pcj s HIS 48 Cb -0.09 -3.86 -0.04 0.00 1.11 0.00 0.00 32.58 29.71 3pcj s HIS 48 CO 0.29 -3.44 -0.09 0.96 -0.85 0.00 0.00 174.74 171.61 3pcj s ILE 49 N 3.05 0.93 -0.17 0.60 -4.36 0.49 -4.61 121.20 117.13 3pcj s ILE 49 Ca 0.71 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 59.34 3pcj s ILE 49 Cb -0.35 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 3pcj s ILE 49 CO 0.29 -0.63 -0.11 -0.22 0.24 0.00 0.00 174.94 174.51 3pcj s LEU 50 N -2.63 2.70 -0.03 0.37 2.96 -0.46 -1.75 118.68 119.83 3pcj s LEU 50 Ca 0.08 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3pcj s LEU 50 Cb -0.01 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3pcj s LEU 50 CO -0.01 0.08 0.03 -0.76 -1.32 0.00 0.00 176.35 174.37 3pcj s LEU 51 N 0.86 3.68 0.12 -0.68 1.43 -0.47 -0.45 118.68 123.17 3pcj s LEU 51 Ca -0.03 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 3pcj s LEU 51 Cb -0.15 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3pcj s LEU 51 CO 0.00 0.31 0.35 -1.48 0.23 0.00 0.00 176.35 175.77 3pcj s LEU 52 N -1.39 0.65 0.00 1.79 -0.00 -0.12 -1.69 118.68 117.93 3pcj s LEU 52 Ca 0.18 -0.43 0.00 0.00 -0.00 0.00 0.00 54.13 53.88 3pcj s LEU 52 Cb -0.12 1.63 0.00 0.00 -0.00 0.00 0.00 46.19 47.71 3pcj s LEU 52 CO 0.09 -0.84 0.00 0.61 -0.00 0.00 0.00 176.35 176.21 3pcj n GLY 53 N -0.19 0.68 3.42 -3.48 0.00 -1.12 0.30 105.19 104.80 3pcj n GLY 53 Ca -0.15 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 3pcj n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pcj s GLN 54 N -2.00 1.52 -0.13 1.61 -0.21 -1.26 -1.42 119.66 117.76 3pcj s GLN 54 Ca 0.00 -1.61 0.03 0.00 0.02 0.00 0.00 55.36 53.79 3pcj s GLN 54 Cb 0.00 -1.63 0.01 0.00 1.00 0.00 0.00 33.01 32.39 3pcj s GLN 54 CO 0.00 0.32 -0.22 0.08 -2.12 0.00 0.00 175.29 173.35 3pcj s VAL 55 N -2.25 2.12 0.09 1.09 1.01 -1.26 -1.00 120.40 120.20 3pcj s VAL 55 Ca 0.24 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.33 3pcj s VAL 55 Cb -0.05 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3pcj s VAL 55 CO 0.11 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.32 3pcj s TYR 56 N 0.73 2.68 0.41 5.22 2.02 -0.02 -1.02 117.35 127.37 3pcj s TYR 56 Ca -0.09 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3pcj s TYR 56 Cb -0.16 -1.43 0.08 0.00 -0.40 0.00 0.00 41.96 40.05 3pcj s TYR 56 CO 0.00 0.39 0.56 -0.40 -1.57 0.00 0.00 175.55 174.54 3pcj n ASP 57 N 0.87 0.94 0.00 2.29 5.68 0.63 -1.53 116.55 125.44 3pcj n ASP 57 Ca -0.14 -1.75 0.04 0.00 -0.50 0.00 0.00 54.79 52.44 3pcj n ASP 57 Cb 0.52 -0.34 0.20 0.00 -1.14 0.00 0.00 41.12 40.36 3pcj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcj n GLY 58 N 0.55 -0.81 0.67 6.12 0.00 -1.26 -2.13 105.19 108.34 3pcj n GLY 58 Ca 0.10 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3pcj n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcj n ASN 59 N -1.49 2.37 0.00 1.61 3.02 -1.26 -4.77 115.26 114.74 3pcj n ASN 59 Ca 0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 3pcj n ASN 59 Cb 0.11 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 3pcj n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcj n GLY 60 N 1.17 0.60 3.92 7.41 0.00 -0.91 -5.06 105.19 112.31 3pcj n GLY 60 Ca 0.10 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3pcj n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcj s HIS 61 N -2.00 3.49 0.36 1.61 3.76 -1.26 -4.80 115.29 116.45 3pcj s HIS 61 Ca 0.00 0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 55.02 3pcj s HIS 61 Cb 0.00 -1.87 -0.09 0.00 1.11 0.00 0.00 32.58 31.73 3pcj s HIS 61 CO 0.00 0.46 1.20 -0.51 -0.85 0.00 0.00 174.74 175.04 3pcj s LEU 62 N -2.86 4.31 -0.45 0.89 1.43 -1.26 -0.27 118.68 120.47 3pcj s LEU 62 Ca 0.38 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 3pcj s LEU 62 Cb -0.12 -3.86 0.08 0.00 0.03 0.00 0.00 46.19 42.31 3pcj s LEU 62 CO 0.27 -0.56 0.33 -0.69 0.23 0.00 0.00 176.35 175.93 3pcj s VAL 63 N -1.30 4.76 -2.55 -1.59 1.01 -0.19 -4.82 120.40 115.72 3pcj s VAL 63 Ca 0.53 -1.22 0.24 0.00 0.00 0.00 0.00 61.98 61.53 3pcj s VAL 63 Cb -0.33 -3.88 0.41 0.00 0.00 0.00 0.00 36.38 32.58 3pcj s VAL 63 CO 0.43 -0.55 1.50 0.54 0.00 0.00 0.00 175.10 177.02 3pcj n ARG 64 N 5.07 2.03 -0.32 2.72 1.74 -1.26 -4.24 116.66 122.40 3pcj n ARG 64 Ca -0.11 -1.53 0.08 0.00 -0.77 0.00 0.00 57.85 55.52 3pcj n ARG 64 Cb 0.43 -1.46 0.15 0.00 -1.02 0.00 0.00 32.46 30.57 3pcj n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcj n ASP 65 N 0.79 1.97 -4.82 0.55 5.68 -1.26 -4.05 116.55 115.40 3pcj n ASP 65 Ca 0.17 -3.29 -0.33 0.00 -0.50 0.00 0.00 54.79 50.84 3pcj n ASP 65 Cb 0.46 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.93 3pcj n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcj s SER 66 N -2.89 6.82 -0.03 -1.12 1.04 -1.26 -4.53 113.70 111.74 3pcj s SER 66 Ca 0.33 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.51 3pcj s SER 66 Cb 0.30 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.88 3pcj s SER 66 CO -0.01 -0.45 -0.15 0.12 0.98 0.00 0.00 173.24 173.73 3pcj s PHE 67 N -2.19 1.44 0.04 5.02 5.36 0.11 -2.80 117.98 124.97 3pcj s PHE 67 Ca 0.62 -0.36 0.04 0.00 -0.96 0.00 0.00 56.93 56.28 3pcj s PHE 67 Cb -0.10 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 3pcj s PHE 67 CO 0.16 -0.10 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.18 3pcj s LEU 68 N -0.07 2.19 -0.03 6.12 1.02 -0.39 -0.96 118.68 126.56 3pcj s LEU 68 Ca -0.00 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 53.73 3pcj s LEU 68 Cb -0.09 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.63 3pcj s LEU 68 CO 0.01 -0.03 -0.19 -1.61 0.02 0.00 0.00 176.35 174.56 3pcj s GLU 69 N -1.25 1.72 0.09 1.70 2.02 -0.87 -1.16 118.70 120.95 3pcj s GLU 69 Ca -0.01 -0.66 0.08 0.00 0.02 0.00 0.00 54.97 54.40 3pcj s GLU 69 Cb -0.08 -1.56 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 3pcj s GLU 69 CO 0.01 0.33 -0.21 0.14 0.02 0.00 0.00 175.26 175.56 3pcj s VAL 70 N -0.20 1.68 -0.05 2.63 -7.23 -0.46 -1.52 120.40 115.25 3pcj s VAL 70 Ca 0.01 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3pcj s VAL 70 Cb -0.10 -1.51 0.04 0.00 0.56 0.00 0.00 36.38 35.37 3pcj s VAL 70 CO 0.01 0.00 0.09 0.86 -0.31 0.00 0.00 175.10 175.75 3pcj s TRP 71 N -1.07 -0.02 0.06 2.82 -0.00 -0.16 -2.38 118.94 118.19 3pcj s TRP 71 Ca 0.06 0.38 -0.07 0.00 -0.00 0.00 0.00 56.10 56.47 3pcj s TRP 71 Cb -0.10 -0.40 -0.01 0.00 -0.00 0.00 0.00 33.47 32.96 3pcj s TRP 71 CO 0.04 -0.22 0.15 1.14 -0.00 0.00 0.00 176.95 178.06 3pcj s GLN 72 N 2.20 0.74 0.55 5.86 -2.07 -0.09 -1.46 119.66 125.39 3pcj s GLN 72 Ca 0.04 -0.88 -0.15 0.00 -1.82 0.00 0.00 55.36 52.55 3pcj s GLN 72 Cb -0.12 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.03 3pcj s GLN 72 CO -0.04 -0.21 1.01 0.00 -1.32 0.00 0.00 175.29 174.73 3pcj s ALA 73 N -3.37 3.00 1.05 2.60 0.00 -1.26 -4.46 121.76 119.32 3pcj s ALA 73 Ca 0.01 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 3pcj s ALA 73 Cb 0.03 -3.13 0.14 0.00 0.00 0.00 0.00 23.12 20.15 3pcj s ALA 73 CO -0.08 -0.45 0.68 -0.40 0.00 0.00 0.00 175.76 175.50 3pcj n ASP 74 N -1.93 -0.54 0.26 0.00 5.68 0.20 -4.33 116.55 115.89 3pcj n ASP 74 Ca 0.07 -1.12 0.16 0.00 -0.50 0.00 0.00 54.79 53.40 3pcj n ASP 74 Cb 0.54 -0.55 0.88 0.00 -1.14 0.00 0.00 41.12 40.84 3pcj n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcj h ALA 75 N -2.07 1.65 -0.00 2.12 0.00 -1.80 -0.46 119.26 118.70 3pcj h ALA 75 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3pcj h ALA 75 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3pcj h ALA 75 CO 0.16 -0.14 -0.13 0.09 0.00 0.00 0.00 179.25 179.23 3pcj n ASN 76 N -3.82 0.17 -0.06 0.00 3.02 -1.26 -3.88 115.26 109.43 3pcj n ASN 76 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3pcj n ASN 76 Cb 0.19 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3pcj n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcj n GLY 77 N 1.46 0.65 3.31 7.41 0.00 -0.27 -4.79 105.19 112.95 3pcj n GLY 77 Ca 0.08 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3pcj n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 78 N -3.70 2.67 -0.26 1.61 2.12 -1.25 -4.63 118.70 115.26 3pcj s GLU 78 Ca 0.00 -0.85 -0.22 0.00 0.36 0.00 0.00 54.97 54.27 3pcj s GLU 78 Cb 0.00 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.12 3pcj s GLU 78 CO 0.00 0.39 0.69 0.71 -0.54 0.00 0.00 175.26 176.51 3pcj s TYR 79 N -0.16 3.27 -0.63 5.30 2.02 -1.26 0.58 117.35 126.47 3pcj s TYR 79 Ca -0.03 0.87 -0.12 0.00 -0.37 0.00 0.00 57.07 57.42 3pcj s TYR 79 Cb -0.14 -2.94 0.16 0.00 -0.40 0.00 0.00 41.96 38.64 3pcj s TYR 79 CO 0.04 -0.38 0.54 -0.65 -1.57 0.00 0.00 175.55 173.53 3pcj s GLN 80 N 2.64 3.02 0.23 -0.62 -1.52 -1.26 -4.92 119.66 117.22 3pcj s GLN 80 Ca 0.29 -2.06 0.17 0.00 -1.95 0.00 0.00 55.36 51.81 3pcj s GLN 80 Cb -0.15 -4.19 0.03 0.00 -0.22 0.00 0.00 33.01 28.48 3pcj s GLN 80 CO 0.09 -1.27 1.26 0.38 -0.25 0.00 0.00 175.29 175.50 3pcj h ASP 81 N 8.22 0.00 -0.95 5.90 2.03 -1.97 -3.26 116.42 126.39 3pcj h ASP 81 Ca -0.12 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.70 3pcj h ASP 81 Cb 1.06 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 3pcj h ASP 81 CO 0.87 0.43 1.21 0.00 -1.03 0.00 0.00 179.24 180.71 3pcj s ALA 82 N -3.01 2.30 0.08 4.15 0.00 -1.26 -4.95 121.76 119.07 3pcj s ALA 82 Ca 0.02 -1.97 -0.31 0.00 0.00 0.00 0.00 51.96 49.70 3pcj s ALA 82 Cb 0.08 -4.54 -0.08 0.00 0.00 0.00 0.00 23.12 18.58 3pcj s ALA 82 CO 0.76 -4.09 1.53 -0.47 0.00 0.00 0.00 175.76 173.49 3pcj s TYR 83 N 6.98 2.80 -0.28 0.00 5.04 -1.26 -5.01 117.35 125.61 3pcj s TYR 83 Ca 0.55 0.61 -0.18 0.00 -2.44 0.00 0.00 57.07 55.61 3pcj s TYR 83 Cb -0.03 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.52 3pcj s TYR 83 CO -0.06 -3.19 0.70 1.21 -1.34 0.00 0.00 175.55 172.87 3pcj s ASN 84 N 1.79 -0.89 0.60 4.32 3.84 -1.26 -5.03 114.94 118.31 3pcj s ASN 84 Ca 0.69 1.49 0.39 0.00 0.21 0.00 0.00 52.86 55.64 3pcj s ASN 84 Cb -0.38 1.40 1.91 0.00 -0.55 0.00 0.00 41.25 43.63 3pcj s ASN 84 CO 0.30 -0.24 2.17 -0.07 -2.79 0.00 0.00 177.10 176.48 3pcj h LEU 85 N 6.51 0.00 0.00 3.21 3.38 -1.96 -1.56 115.31 124.89 3pcj h LEU 85 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3pcj h LEU 85 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3pcj h LEU 85 CO 0.14 0.00 -0.26 -0.62 0.09 0.00 0.00 178.44 177.79 3pcj n GLU 86 N -3.03 0.20 -2.51 1.13 1.02 -1.26 -4.86 120.64 111.32 3pcj n GLU 86 Ca -0.01 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 3pcj n GLU 86 Cb 0.17 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 3pcj n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3pcj s ASN 87 N -3.99 6.46 0.26 1.62 0.01 -0.59 -4.94 114.94 113.77 3pcj s ASN 87 Ca 0.10 1.78 0.07 0.00 -0.71 0.00 0.00 52.86 54.11 3pcj s ASN 87 Cb 0.14 -2.54 0.31 0.00 0.41 0.00 0.00 41.25 39.57 3pcj s ASN 87 CO 0.64 -0.70 1.59 0.00 -1.51 0.00 0.00 177.10 177.12 3pcj h ALA 88 N 1.36 0.92 -3.71 0.60 0.00 -1.89 -3.44 119.26 113.11 3pcj h ALA 88 Ca -0.48 -0.55 -0.38 0.00 0.00 0.00 0.00 54.91 53.50 3pcj h ALA 88 Cb 1.20 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 3pcj h ALA 88 CO 0.60 0.74 -0.77 0.12 0.00 0.00 0.00 179.25 179.94 3pcj s PHE 89 N -3.70 0.66 -0.09 0.00 5.36 -1.26 0.29 117.98 119.25 3pcj s PHE 89 Ca -0.03 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 3pcj s PHE 89 Cb 0.12 -0.52 0.01 0.00 -0.34 0.00 0.00 43.02 42.29 3pcj s PHE 89 CO 0.78 -0.10 -0.17 -0.80 -1.46 0.00 0.00 175.22 173.47 3pcj s ASN 90 N 0.39 2.38 0.53 6.13 0.01 0.12 -4.97 114.94 119.53 3pcj s ASN 90 Ca -0.05 -0.42 0.33 0.00 -0.71 0.00 0.00 52.86 52.01 3pcj s ASN 90 Cb -0.09 -1.09 1.39 0.00 0.41 0.00 0.00 41.25 41.87 3pcj s ASN 90 CO -0.00 0.07 1.98 0.28 -1.51 0.00 0.00 177.10 177.92 3pcj h SER 91 N 6.97 0.00 -3.90 -1.22 0.02 -1.78 -3.44 113.55 110.21 3pcj h SER 91 Ca -0.27 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.00 3pcj h SER 91 Cb 1.20 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.53 3pcj h SER 91 CO 0.48 0.00 -0.78 0.12 -1.14 0.00 0.00 176.83 175.51 3pcj s PHE 92 N -3.66 2.64 0.30 3.45 5.36 -1.26 -0.91 117.98 123.90 3pcj s PHE 92 Ca 0.01 -0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.62 3pcj s PHE 92 Cb 0.09 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 3pcj s PHE 92 CO 0.52 0.27 0.64 0.20 -1.46 0.00 0.00 175.22 175.39 3pcj s GLY 93 N -1.38 0.36 0.02 13.12 0.00 -1.00 -4.84 107.32 113.60 3pcj s GLY 93 Ca 0.15 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.18 3pcj s GLY 93 CO 0.05 -0.39 -0.04 0.50 0.00 0.00 0.00 173.10 173.22 3pcj s ARG 94 N -3.47 0.35 0.25 2.90 0.52 -1.04 -1.35 118.95 117.12 3pcj s ARG 94 Ca 0.17 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.73 3pcj s ARG 94 Cb -0.04 -0.10 -0.00 0.00 0.52 0.00 0.00 34.95 35.33 3pcj s ARG 94 CO 0.10 0.01 0.49 -0.08 0.02 0.00 0.00 175.30 175.84 3pcj s THR 95 N -1.08 0.00 0.13 0.02 -1.32 -0.30 -1.17 115.64 111.92 3pcj s THR 95 Ca -0.10 -1.40 -0.20 0.00 -1.21 0.00 0.00 61.69 58.78 3pcj s THR 95 Cb -0.08 -2.22 0.05 0.00 -1.51 0.00 0.00 72.50 68.74 3pcj s THR 95 CO -0.00 0.00 0.50 0.00 -2.21 0.00 0.00 174.62 172.90 3pcj s ALA 96 N -3.97 -1.26 -0.05 11.08 0.00 -1.26 -1.27 121.76 125.03 3pcj s ALA 96 Ca 0.22 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3pcj s ALA 96 Cb -0.01 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3pcj s ALA 96 CO 0.09 -0.68 0.28 0.95 0.00 0.00 0.00 175.76 176.40 3pcj s THR 97 N -3.65 5.26 0.38 0.00 -4.23 -1.12 -4.23 115.64 108.05 3pcj s THR 97 Ca 0.01 0.52 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 3pcj s THR 97 Cb 0.00 -3.56 -0.10 0.00 1.34 0.00 0.00 72.50 70.19 3pcj s THR 97 CO -0.11 0.59 1.32 0.42 -0.54 0.00 0.00 174.62 176.30 3pcj s THR 98 N -1.07 2.59 -1.44 3.99 -4.23 -1.23 -4.52 115.64 109.75 3pcj s THR 98 Ca 0.20 0.56 0.15 0.00 -1.18 0.00 0.00 61.69 61.42 3pcj s THR 98 Cb -0.14 -3.34 0.26 0.00 1.34 0.00 0.00 72.50 70.61 3pcj s THR 98 CO 0.09 0.11 1.41 0.49 -0.54 0.00 0.00 174.62 176.17 3pcj n PHE 99 N 0.41 0.00 0.00 3.99 3.72 -1.26 -2.00 117.46 122.32 3pcj n PHE 99 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3pcj n PHE 99 Cb 0.42 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3pcj n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pcj n ASP 100 N -1.28 0.00 -0.30 4.37 5.75 -1.26 -4.80 116.55 119.03 3pcj n ASP 100 Ca 0.07 0.00 0.26 0.00 -0.01 0.00 0.00 54.79 55.11 3pcj n ASP 100 Cb 0.12 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 40.80 3pcj n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcj h ALA 101 N -2.00 2.53 -3.13 2.12 0.00 -2.01 -3.46 119.26 113.31 3pcj h ALA 101 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3pcj h ALA 101 Cb 0.00 0.04 0.05 0.00 0.00 0.00 0.00 17.79 17.88 3pcj h ALA 101 CO 0.00 -0.89 -0.20 0.41 0.00 0.00 0.00 179.25 178.57 3pcj n GLY 102 N -1.58 0.29 3.11 0.00 0.00 -0.85 -4.98 105.19 101.18 3pcj n GLY 102 Ca 0.24 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3pcj n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 103 N -4.04 0.96 0.31 1.61 2.12 -1.26 -4.43 118.70 113.97 3pcj s GLU 103 Ca 0.04 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.82 3pcj s GLU 103 Cb -0.00 -0.94 -0.03 0.00 0.26 0.00 0.00 34.13 33.41 3pcj s GLU 103 CO 0.18 0.24 0.21 1.67 -0.54 0.00 0.00 175.26 177.03 3pcj s TRP 104 N -0.61 2.90 0.02 5.30 1.48 -0.51 -3.48 118.94 124.04 3pcj s TRP 104 Ca 0.03 -0.26 -0.12 0.00 -1.06 0.00 0.00 56.10 54.69 3pcj s TRP 104 Cb -0.07 -1.61 0.01 0.00 -1.16 0.00 0.00 33.47 30.65 3pcj s TRP 104 CO 0.00 0.34 0.24 0.95 -4.06 0.00 0.00 176.95 174.43 3pcj s THR 105 N -2.29 0.08 -0.05 0.66 -4.23 -1.26 -2.78 115.64 105.78 3pcj s THR 105 Ca 0.37 -0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 3pcj s THR 105 Cb -0.06 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 73.05 3pcj s THR 105 CO 0.25 -0.38 0.17 -0.22 -0.54 0.00 0.00 174.62 173.89 3pcj s LEU 106 N -1.73 1.38 -0.26 4.79 2.96 -0.68 -4.82 118.68 120.32 3pcj s LEU 106 Ca -0.09 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3pcj s LEU 106 Cb -0.03 0.62 0.04 0.00 0.50 0.00 0.00 46.19 47.31 3pcj s LEU 106 CO -0.00 -0.13 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.84 3pcj s HIS 107 N -0.22 3.12 0.00 5.38 3.76 0.14 -1.37 115.29 126.10 3pcj s HIS 107 Ca -0.03 -1.73 0.00 0.00 -0.15 0.00 0.00 55.06 53.15 3pcj s HIS 107 Cb -0.03 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3pcj s HIS 107 CO 0.01 -0.77 0.00 -2.37 -0.85 0.00 0.00 174.74 170.76 3pcj n THR 108 N 4.63 0.00 -4.38 1.30 5.66 -0.72 0.07 114.28 120.83 3pcj n THR 108 Ca -0.16 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.56 3pcj n THR 108 Cb 0.46 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.11 3pcj n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcj s VAL 109 N -2.36 2.21 0.04 1.08 -7.23 -1.26 -0.38 120.40 112.50 3pcj s VAL 109 Ca 0.00 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3pcj s VAL 109 Cb 0.00 -1.96 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 3pcj s VAL 109 CO 0.00 0.05 1.50 -0.75 -0.31 0.00 0.00 175.10 175.59 3pcj s LYS 110 N -2.11 4.25 0.52 4.82 2.20 -0.38 -4.89 119.74 124.15 3pcj s LYS 110 Ca 0.14 2.12 -0.21 0.00 -0.36 0.00 0.00 55.97 57.65 3pcj s LYS 110 Cb -0.10 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3pcj s LYS 110 CO 0.06 -0.63 1.22 -1.25 -0.36 0.00 0.00 175.35 174.39 3pcj s PRO 111 N 2.39 3.39 0.48 4.03 0.04 -1.26 -4.16 135.00 139.91 3pcj s PRO 111 Ca 0.68 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 3pcj s PRO 111 Cb -0.35 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 3pcj s PRO 111 CO 0.29 -0.89 0.72 0.20 0.04 0.00 0.00 177.00 177.37 3pcj s GLY 112 N -1.36 1.58 0.30 0.56 0.00 -0.67 -4.74 107.32 102.99 3pcj s GLY 112 Ca 0.70 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 44.14 3pcj s GLY 112 CO 0.37 -0.79 1.46 0.14 0.00 0.00 0.00 173.10 174.28 3pcj s VAL 113 N -2.66 2.40 0.05 1.40 1.01 -1.26 -4.24 120.40 117.10 3pcj s VAL 113 Ca 0.50 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.92 3pcj s VAL 113 Cb -0.10 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3pcj s VAL 113 CO 0.40 0.07 -0.23 0.68 0.00 0.00 0.00 175.10 176.01 3pcj s VAL 114 N -0.46 1.86 0.22 2.92 -7.23 -1.26 -4.44 120.40 112.01 3pcj s VAL 114 Ca 0.57 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 3pcj s VAL 114 Cb -0.44 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 3pcj s VAL 114 CO 0.51 0.24 0.56 0.20 -0.31 0.00 0.00 175.10 176.30 3pcj s ASN 115 N -1.28 6.67 1.02 4.85 0.01 -1.26 -0.64 114.94 124.30 3pcj s ASN 115 Ca 0.09 0.97 -0.16 0.00 -0.71 0.00 0.00 52.86 53.06 3pcj s ASN 115 Cb -0.09 -2.25 0.22 0.00 0.41 0.00 0.00 41.25 39.54 3pcj s ASN 115 CO 0.02 -0.05 1.23 -0.46 -1.51 0.00 0.00 177.10 176.32 3pcj n ASN 116 N 0.01 -0.09 -0.32 -1.22 0.23 0.98 -4.88 115.26 109.96 3pcj n ASN 116 Ca -0.00 -1.42 0.07 0.00 -0.53 0.00 0.00 54.58 52.70 3pcj n ASN 116 Cb 0.52 -0.95 0.27 0.00 -2.08 0.00 0.00 39.78 37.55 3pcj n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcj h ALA 117 N -1.88 1.59 -0.14 -2.53 0.00 -1.99 -2.20 119.26 112.11 3pcj h ALA 117 Ca -0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3pcj h ALA 117 Cb 1.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3pcj h ALA 117 CO 0.28 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3pcj n ALA 118 N -2.38 2.48 -0.97 0.00 0.00 -1.26 -4.89 120.51 113.48 3pcj n ALA 118 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3pcj n ALA 118 Cb 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3pcj n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcj n GLY 119 N 0.73 0.48 3.74 0.00 0.00 -0.83 -5.04 105.19 104.28 3pcj n GLY 119 Ca 0.05 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3pcj n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcj s VAL 120 N -2.00 5.30 0.37 1.61 1.01 -1.26 -4.79 120.40 120.64 3pcj s VAL 120 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 3pcj s VAL 120 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3pcj s VAL 120 CO 0.00 0.41 1.25 -2.16 0.00 0.00 0.00 175.10 174.61 3pcj s PRO 121 N 0.30 4.16 0.09 2.72 0.04 -1.26 -0.02 135.00 141.03 3pcj s PRO 121 Ca 0.17 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.30 3pcj s PRO 121 Cb -0.13 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3pcj s PRO 121 CO 0.04 -0.30 0.14 -1.64 0.04 0.00 0.00 177.00 175.28 3pcj s MET 122 N -2.05 3.09 0.68 4.56 -1.94 0.19 -4.44 119.30 119.38 3pcj s MET 122 Ca 0.53 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 3pcj s MET 122 Cb -0.36 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.66 3pcj s MET 122 CO 0.47 0.57 1.12 0.00 -0.01 0.00 0.00 175.02 177.17 3pcj s ALA 123 N -1.48 2.40 0.20 3.03 0.00 -1.26 -4.12 121.76 120.52 3pcj s ALA 123 Ca 0.32 0.57 -0.32 0.00 0.00 0.00 0.00 51.96 52.53 3pcj s ALA 123 Cb -0.12 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 3pcj s ALA 123 CO 0.24 -1.40 1.28 -2.30 0.00 0.00 0.00 175.76 173.58 3pcj n PRO 124 N -2.54 1.54 -3.57 0.00 -0.02 -1.26 -4.86 135.00 124.29 3pcj n PRO 124 Ca 0.11 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3pcj n PRO 124 Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3pcj n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcj s HIS 125 N -0.09 -0.31 -0.12 6.00 -3.43 -1.26 -4.39 115.29 111.70 3pcj s HIS 125 Ca 0.72 0.04 0.03 0.00 -0.80 0.00 0.00 55.06 55.05 3pcj s HIS 125 Cb -0.77 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.73 3pcj s HIS 125 CO 0.51 -0.74 -0.23 0.42 -2.00 0.00 0.00 174.74 172.70 3pcj s ILE 126 N -3.70 2.13 -0.07 -5.38 1.01 -0.18 -4.63 121.20 110.38 3pcj s ILE 126 Ca 0.02 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 3pcj s ILE 126 Cb 0.01 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3pcj s ILE 126 CO -0.12 0.55 0.77 0.20 0.00 0.00 0.00 174.94 176.34 3pcj s ASN 127 N 0.51 7.04 -0.01 3.58 0.01 -0.53 0.16 114.94 125.70 3pcj s ASN 127 Ca -0.14 1.26 0.05 0.00 -0.71 0.00 0.00 52.86 53.32 3pcj s ASN 127 Cb -0.17 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 3pcj s ASN 127 CO 0.05 -0.19 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.66 3pcj s ILE 128 N 1.07 1.29 -0.15 0.60 1.01 -0.93 -0.99 121.20 123.10 3pcj s ILE 128 Ca 0.40 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3pcj s ILE 128 Cb -0.18 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3pcj s ILE 128 CO 0.19 0.32 -0.17 -0.44 0.00 0.00 0.00 174.94 174.84 3pcj s SER 129 N -0.49 2.83 -0.20 3.58 0.01 -0.57 -0.83 113.70 118.03 3pcj s SER 129 Ca 0.06 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3pcj s SER 129 Cb -0.06 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 3pcj s SER 129 CO -0.00 -0.00 0.09 -0.22 0.41 0.00 0.00 173.24 173.52 3pcj s LEU 130 N 1.22 3.89 0.06 2.44 2.96 0.17 -2.06 118.68 127.37 3pcj s LEU 130 Ca 0.01 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 3pcj s LEU 130 Cb -0.14 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3pcj s LEU 130 CO -0.08 0.13 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.52 3pcj s PHE 131 N 0.64 1.72 0.00 5.38 0.40 -0.13 -1.65 117.98 124.34 3pcj s PHE 131 Ca 0.05 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3pcj s PHE 131 Cb -0.13 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.41 3pcj s PHE 131 CO 0.01 0.12 0.00 0.00 0.70 0.00 0.00 175.22 176.06 3pcj n ALA 132 N 1.57 0.00 -1.80 5.36 0.00 -1.26 0.10 120.51 124.47 3pcj n ALA 132 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 3pcj n ALA 132 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3pcj n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcj s ARG 133 N -2.00 4.36 0.00 0.00 1.70 -1.25 -2.11 118.95 119.65 3pcj s ARG 133 Ca 0.00 2.20 0.00 0.00 -0.47 0.00 0.00 55.73 57.46 3pcj s ARG 133 Cb 0.00 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 3pcj s ARG 133 CO 0.00 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.43 3pcj n GLY 134 N 1.11 1.32 3.27 3.88 0.00 -1.26 -4.96 105.19 108.54 3pcj n GLY 134 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3pcj n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcj s ILE 135 N -2.30 4.58 0.19 -0.61 1.01 -0.90 -4.97 121.20 118.20 3pcj s ILE 135 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.07 3pcj s ILE 135 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3pcj s ILE 135 CO 0.00 -0.70 1.55 0.78 0.00 0.00 0.00 174.94 176.57 3pcj h ASN 136 N 8.58 0.78 -3.55 3.58 2.35 -1.90 -3.34 115.58 122.09 3pcj h ASN 136 Ca -0.25 -0.34 -0.31 0.00 -0.55 0.00 0.00 56.30 54.85 3pcj h ASN 136 Cb 1.09 -0.22 -0.33 0.00 0.05 0.00 0.00 38.32 38.91 3pcj h ASN 136 CO 0.88 1.07 -0.74 -0.51 -1.65 0.00 0.00 177.43 176.48 3pcj s ILE 137 N -4.35 0.07 0.61 2.81 2.07 -1.26 -3.22 121.20 117.92 3pcj s ILE 137 Ca -0.09 0.12 -0.19 0.00 -1.41 0.00 0.00 60.65 59.08 3pcj s ILE 137 Cb 0.12 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.50 3pcj s ILE 137 CO 0.85 0.11 1.03 0.00 -1.91 0.00 0.00 174.94 175.02 3pcj n HIS 138 N 3.99 1.06 -3.73 3.50 1.44 -1.26 -5.00 115.22 115.22 3pcj n HIS 138 Ca -0.25 0.43 -0.35 0.00 -2.01 0.00 0.00 57.72 55.54 3pcj n HIS 138 Cb 0.52 -2.17 -0.08 0.00 0.12 0.00 0.00 29.99 28.38 3pcj n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcj s LEU 139 N -2.45 4.23 -0.13 2.39 1.43 -0.66 -4.90 118.68 118.58 3pcj s LEU 139 Ca 0.77 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 3pcj s LEU 139 Cb -0.41 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3pcj s LEU 139 CO 0.46 0.19 0.07 -1.00 0.23 0.00 0.00 176.35 176.30 3pcj s HIS 140 N 0.26 3.34 0.24 0.29 3.76 -1.26 0.44 115.29 122.37 3pcj s HIS 140 Ca 0.09 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 3pcj s HIS 140 Cb -0.11 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.64 3pcj s HIS 140 CO -0.01 0.46 0.31 -2.37 -0.85 0.00 0.00 174.74 172.28 3pcj n THR 141 N 2.54 0.00 -3.82 1.30 5.66 -0.01 -1.14 114.28 118.81 3pcj n THR 141 Ca -0.18 -1.33 -0.12 0.00 -3.05 0.00 0.00 64.05 59.36 3pcj n THR 141 Cb 0.54 0.78 -0.11 0.00 -1.55 0.00 0.00 70.33 69.98 3pcj n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3pcj s ARG 142 N -2.64 0.33 -0.20 1.09 0.52 -1.26 -2.18 118.95 114.61 3pcj s ARG 142 Ca 0.22 0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.43 3pcj s ARG 142 Cb -0.00 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 3pcj s ARG 142 CO 0.16 -0.06 -0.02 -1.17 0.02 0.00 0.00 175.30 174.22 3pcj s LEU 143 N -0.43 3.11 0.32 2.53 0.20 0.12 -4.76 118.68 119.78 3pcj s LEU 143 Ca -0.05 -0.27 0.09 0.00 0.69 0.00 0.00 54.13 54.58 3pcj s LEU 143 Cb -0.03 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 3pcj s LEU 143 CO 0.01 0.04 0.08 -0.31 -0.29 0.00 0.00 176.35 175.88 3pcj s TYR 144 N 1.14 2.70 -0.06 5.38 1.51 0.34 -1.01 117.35 127.36 3pcj s TYR 144 Ca 0.02 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3pcj s TYR 144 Cb -0.14 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3pcj s TYR 144 CO 0.01 0.45 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.81 3pcj s PHE 145 N -2.40 3.06 -0.58 2.71 0.40 -1.26 0.99 117.98 120.89 3pcj s PHE 145 Ca 0.35 0.10 0.22 0.00 -0.60 0.00 0.00 56.93 57.01 3pcj s PHE 145 Cb -0.04 -1.73 0.92 0.00 0.51 0.00 0.00 43.02 42.68 3pcj s PHE 145 CO 0.21 0.42 1.67 -0.40 0.70 0.00 0.00 175.22 177.83 3pcj n ASP 146 N 1.98 0.55 -1.40 1.36 5.75 -0.64 -2.69 116.55 121.47 3pcj n ASP 146 Ca -0.17 0.63 0.09 0.00 -0.01 0.00 0.00 54.79 55.33 3pcj n ASP 146 Cb 0.53 -0.75 0.32 0.00 -1.03 0.00 0.00 41.12 40.19 3pcj n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3pcj n ASP 147 N -2.11 4.11 -1.17 -1.12 5.68 -1.26 -4.11 116.55 116.58 3pcj n ASP 147 Ca 0.02 -2.28 -0.02 0.00 -0.50 0.00 0.00 54.79 52.02 3pcj n ASP 147 Cb 0.23 -0.52 0.13 0.00 -1.14 0.00 0.00 41.12 39.82 3pcj n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcj n GLU 148 N 1.14 1.87 -0.14 0.11 -0.58 -1.09 -4.87 120.64 117.08 3pcj n GLU 148 Ca 0.23 -3.35 -0.06 0.00 -0.42 0.00 0.00 57.16 53.56 3pcj n GLU 148 Cb 0.74 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 3pcj n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcj h ALA 149 N 1.36 -0.03 -0.69 0.62 0.00 -1.75 0.45 119.26 119.22 3pcj h ALA 149 Ca 0.05 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3pcj h ALA 149 Cb 1.26 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 3pcj h ALA 149 CO 0.20 -0.65 0.33 1.96 0.00 0.00 0.00 179.25 181.09 3pcj h GLN 150 N -0.18 0.54 -0.22 0.00 4.20 -1.94 -2.22 115.11 115.28 3pcj h GLN 150 Ca 0.20 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 3pcj h GLN 150 Cb 0.51 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3pcj h GLN 150 CO -0.56 0.36 -0.57 0.00 -0.67 0.00 0.00 178.83 177.38 3pcj h ALA 151 N 1.43 0.37 -0.55 3.87 0.00 -1.45 -3.26 119.26 119.67 3pcj h ALA 151 Ca 0.34 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3pcj h ALA 151 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3pcj h ALA 151 CO -0.28 0.60 0.36 -0.91 0.00 0.00 0.00 179.25 179.02 3pcj h ASN 152 N 0.53 0.59 0.29 0.00 2.35 0.23 -2.10 115.58 117.47 3pcj h ASN 152 Ca -0.01 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3pcj h ASN 152 Cb 1.19 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 3pcj h ASN 152 CO 0.12 0.41 -0.15 0.00 -1.65 0.00 0.00 177.43 176.17 3pcj h ALA 153 N 1.67 1.43 -0.02 -0.83 0.00 -1.45 -3.00 119.26 117.06 3pcj h ALA 153 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3pcj h ALA 153 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3pcj h ALA 153 CO -0.05 0.18 -0.28 1.63 0.00 0.00 0.00 179.25 180.73 3pcj n LYS 154 N -3.89 1.58 -1.86 0.00 5.02 -0.81 -4.94 118.16 113.25 3pcj n LYS 154 Ca -0.02 -1.17 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 3pcj n LYS 154 Cb 0.24 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3pcj n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcj h PRO 156 N 9.44 0.00 0.00 0.00 0.13 -1.92 -0.13 132.00 139.52 3pcj h PRO 156 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3pcj h PRO 156 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3pcj h PRO 156 CO 0.94 0.01 -0.02 0.28 -0.23 0.00 0.00 178.00 178.98 3pcj h VAL 157 N 0.00 1.71 -0.29 1.56 2.07 -1.94 -3.17 116.25 116.20 3pcj h VAL 157 Ca -0.00 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.39 3pcj h VAL 157 Cb 0.02 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3pcj h VAL 157 CO 0.00 0.55 0.12 0.25 0.02 0.00 0.00 177.57 178.52 3pcj h LEU 158 N -0.88 0.35 -0.31 2.57 5.85 -1.83 -1.81 115.31 119.25 3pcj h LEU 158 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3pcj h LEU 158 Cb 0.92 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3pcj h LEU 158 CO 0.00 0.32 0.00 0.59 -0.34 0.00 0.00 178.44 179.01 3pcj n ASN 159 N -4.43 0.51 0.21 1.25 3.02 -0.08 -2.39 115.26 113.35 3pcj n ASN 159 Ca 0.01 0.59 0.09 0.00 -0.03 0.00 0.00 54.58 55.25 3pcj n ASN 159 Cb 0.12 -0.71 0.26 0.00 -0.61 0.00 0.00 39.78 38.84 3pcj n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcj h LEU 160 N 0.00 0.00 -8.92 3.41 3.38 -1.29 -3.42 115.31 108.47 3pcj h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcj h LEU 160 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3pcj h LEU 160 CO 0.00 0.20 1.04 -0.63 0.09 0.00 0.00 178.44 179.14 3pcj s ILE 161 N -3.30 3.95 0.17 1.22 1.01 -1.00 -4.90 121.20 118.35 3pcj s ILE 161 Ca 0.04 1.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 3pcj s ILE 161 Cb 0.07 -4.06 0.10 0.00 0.01 0.00 0.00 42.46 38.59 3pcj s ILE 161 CO 0.67 -0.52 1.63 -0.33 0.00 0.00 0.00 174.94 176.39 3pcj h GLU 162 N 10.15 -0.12 -4.80 2.79 5.08 -1.87 -3.39 114.58 122.41 3pcj h GLU 162 Ca -0.28 0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.40 3pcj h GLU 162 Cb 1.11 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.21 3pcj h GLU 162 CO 1.04 -0.08 -0.35 -0.65 -1.00 0.00 0.00 179.01 177.98 3pcj s GLN 163 N -6.14 3.37 0.31 2.33 -1.52 -1.26 -4.98 119.66 111.78 3pcj s GLN 163 Ca -0.14 -0.63 0.07 0.00 -1.95 0.00 0.00 55.36 52.70 3pcj s GLN 163 Cb 0.15 -3.86 0.86 0.00 -0.22 0.00 0.00 33.01 29.93 3pcj s GLN 163 CO 0.70 -0.60 1.64 -1.35 -0.25 0.00 0.00 175.29 175.44 3pcj h PRO 164 N 8.54 0.22 -0.39 2.91 0.11 -1.97 0.19 132.00 141.61 3pcj h PRO 164 Ca -0.29 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.92 3pcj h PRO 164 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3pcj h PRO 164 CO 0.70 0.14 0.32 1.96 -0.21 0.00 0.00 178.00 180.92 3pcj h GLN 165 N 0.22 0.00 0.00 1.05 7.50 -1.96 -1.40 115.11 120.53 3pcj h GLN 165 Ca 0.63 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.70 3pcj h GLN 165 Cb 1.34 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.86 3pcj h GLN 165 CO -0.66 0.00 -0.63 0.00 -1.50 0.00 0.00 178.83 176.04 3pcj h ARG 166 N 0.00 0.00 -0.05 1.46 3.08 -1.02 -3.29 114.38 114.55 3pcj h ARG 166 Ca 0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3pcj h ARG 166 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3pcj h ARG 166 CO -0.00 0.25 -0.13 0.00 -1.07 0.00 0.00 179.97 179.01 3pcj h ARG 167 N 0.00 0.07 0.00 0.04 3.08 -1.20 -2.47 114.38 113.91 3pcj h ARG 167 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3pcj h ARG 167 Cb 1.26 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3pcj h ARG 167 CO 0.03 0.21 -0.08 0.93 -1.07 0.00 0.00 179.97 180.00 3pcj h GLU 168 N 0.07 0.00 0.00 0.04 5.08 -1.63 -2.49 114.58 115.65 3pcj h GLU 168 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3pcj h GLU 168 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3pcj h GLU 168 CO 0.02 0.08 0.00 0.25 -1.00 0.00 0.00 179.01 178.36 3pcj n THR 169 N -3.31 0.83 1.04 1.13 -2.24 -0.93 -2.73 114.28 108.07 3pcj n THR 169 Ca -0.01 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 3pcj n THR 169 Cb 0.27 -1.19 0.12 0.00 -2.10 0.00 0.00 70.33 67.44 3pcj n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3pcj n LEU 170 N -2.25 2.77 -4.56 3.22 4.77 -0.94 -4.79 117.00 115.23 3pcj n LEU 170 Ca 0.02 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.66 3pcj n LEU 170 Cb 0.22 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3pcj n LEU 170 CO 0.19 0.47 0.13 -0.63 -1.33 0.00 0.00 177.39 176.23 3pcj s ILE 171 N -2.06 5.10 0.27 -0.08 1.01 -1.11 -0.50 121.20 123.83 3pcj s ILE 171 Ca 0.28 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 3pcj s ILE 171 Cb 0.20 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3pcj s ILE 171 CO 0.33 -0.11 1.10 0.00 0.00 0.00 0.00 174.94 176.26 3pcj s ALA 172 N 2.21 3.40 -0.33 9.38 0.00 0.28 -4.83 121.76 131.87 3pcj s ALA 172 Ca 0.16 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 3pcj s ALA 172 Cb -0.16 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3pcj s ALA 172 CO 0.12 -0.16 0.50 0.15 0.00 0.00 0.00 175.76 176.37 3pcj s LYS 173 N -1.32 3.70 0.30 0.00 1.02 -0.71 -1.62 119.74 121.12 3pcj s LYS 173 Ca 0.45 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 56.05 3pcj s LYS 173 Cb -0.32 -3.78 -0.11 0.00 -0.52 0.00 0.00 37.83 33.11 3pcj s LYS 173 CO 0.40 -0.58 1.46 0.50 -0.92 0.00 0.00 175.35 176.21 3pcj s ARG 174 N 2.35 4.22 0.00 1.68 3.52 -1.26 -1.28 118.95 128.17 3pcj s ARG 174 Ca 0.18 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 3pcj s ARG 174 Cb -0.16 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3pcj s ARG 174 CO 0.12 -0.45 0.00 0.00 -0.81 0.00 0.00 175.30 174.17 3pcj s GLU 176 N -0.20 0.18 -0.10 0.00 2.12 -1.25 -1.10 118.70 118.35 3pcj s GLU 176 Ca 0.00 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 3pcj s GLU 176 Cb 0.00 0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.51 3pcj s GLU 176 CO 0.00 -0.03 0.03 0.08 -0.54 0.00 0.00 175.26 174.80 3pcj s VAL 177 N -0.21 0.28 -1.29 3.70 1.01 0.26 -4.78 120.40 119.37 3pcj s VAL 177 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 3pcj s VAL 177 Cb -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3pcj s VAL 177 CO 0.00 0.09 0.94 0.47 0.00 0.00 0.00 175.10 176.61 3pcj n ASP 178 N 5.17 -2.74 -0.82 3.32 8.00 -1.26 -0.86 116.55 127.36 3pcj n ASP 178 Ca -0.07 -0.68 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 3pcj n ASP 178 Cb 0.49 -4.71 -0.05 0.00 -0.02 0.00 0.00 41.12 36.84 3pcj n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcj n GLY 179 N -1.45 1.04 3.64 0.44 0.00 -1.26 -4.97 105.19 102.63 3pcj n GLY 179 Ca -0.22 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3pcj n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcj s LYS 180 N -2.86 2.50 -0.14 1.61 2.20 -0.04 -5.07 119.74 117.94 3pcj s LYS 180 Ca 0.00 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 3pcj s LYS 180 Cb 0.00 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 3pcj s LYS 180 CO 0.00 0.56 1.61 0.99 -0.36 0.00 0.00 175.35 178.16 3pcj s THR 181 N -1.18 3.68 0.16 3.43 2.01 -1.26 0.89 115.64 123.37 3pcj s THR 181 Ca 0.22 0.80 0.06 0.00 0.31 0.00 0.00 61.69 63.08 3pcj s THR 181 Cb -0.11 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3pcj s THR 181 CO 0.14 -0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 173.76 3pcj s ALA 182 N 4.60 1.71 -0.04 7.40 0.00 -0.26 -1.36 121.76 133.82 3pcj s ALA 182 Ca 0.71 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3pcj s ALA 182 Cb -0.29 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3pcj s ALA 182 CO 0.28 0.06 -0.06 0.71 0.00 0.00 0.00 175.76 176.75 3pcj s TYR 183 N -2.67 0.84 -0.22 0.00 1.51 0.41 0.44 117.35 117.66 3pcj s TYR 183 Ca 0.16 -0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 55.87 3pcj s TYR 183 Cb -0.02 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 3pcj s TYR 183 CO 0.04 -0.17 0.16 0.50 -1.11 0.00 0.00 175.55 174.97 3pcj s ARG 184 N 0.68 4.13 -0.34 -0.62 3.52 -0.41 -0.94 118.95 124.98 3pcj s ARG 184 Ca -0.10 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.27 3pcj s ARG 184 Cb -0.13 -3.49 0.11 0.00 -1.56 0.00 0.00 34.95 29.89 3pcj s ARG 184 CO 0.01 0.16 0.14 0.12 -0.81 0.00 0.00 175.30 174.92 3pcj s PHE 185 N 0.76 1.39 0.01 5.12 5.36 0.15 -1.74 117.98 129.03 3pcj s PHE 185 Ca 0.08 -1.70 -0.17 0.00 -0.96 0.00 0.00 56.93 54.18 3pcj s PHE 185 Cb -0.13 -1.50 -0.06 0.00 -0.34 0.00 0.00 43.02 40.99 3pcj s PHE 185 CO 0.02 -0.85 0.47 -0.51 -1.46 0.00 0.00 175.22 172.89 3pcj s ASP 186 N 1.39 6.88 -0.16 6.13 1.01 -1.26 -4.01 116.67 126.65 3pcj s ASP 186 Ca 0.12 1.05 -0.01 0.00 0.71 0.00 0.00 52.55 54.42 3pcj s ASP 186 Cb -0.19 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3pcj s ASP 186 CO -0.19 0.27 -0.11 -0.63 0.21 0.00 0.00 175.17 174.72 3pcj s ILE 187 N -0.88 3.11 -0.30 0.77 1.01 -0.17 -4.96 121.20 119.77 3pcj s ILE 187 Ca 0.26 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3pcj s ILE 187 Cb -0.17 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 39.99 3pcj s ILE 187 CO 0.15 0.50 0.04 -0.13 0.00 0.00 0.00 174.94 175.50 3pcj s ARG 188 N 0.73 2.70 0.24 2.79 0.52 -1.26 -0.84 118.95 123.83 3pcj s ARG 188 Ca -0.05 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.09 3pcj s ARG 188 Cb -0.15 -3.29 0.27 0.00 0.52 0.00 0.00 34.95 32.30 3pcj s ARG 188 CO 0.02 -0.56 1.58 0.82 0.02 0.00 0.00 175.30 177.18 3pcj h ILE 189 N 6.18 1.35 -2.70 1.52 2.04 -1.54 -0.52 117.51 123.84 3pcj h ILE 189 Ca -0.26 -1.81 -0.11 0.00 1.00 0.00 0.00 64.86 63.69 3pcj h ILE 189 Cb 1.09 1.85 -0.21 0.00 -0.74 0.00 0.00 36.82 38.81 3pcj h ILE 189 CO 0.58 0.54 -0.16 -1.58 0.00 0.00 0.00 178.15 177.53 3pcj s GLN 190 N -3.93 0.67 0.94 2.37 0.74 -1.26 -4.78 119.66 114.41 3pcj s GLN 190 Ca -0.05 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.59 3pcj s GLN 190 Cb 0.12 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.54 3pcj s GLN 190 CO 0.80 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 3pcj n GLY 191 N 1.88 -0.60 3.69 2.59 0.00 -1.26 -4.02 105.19 107.48 3pcj n GLY 191 Ca -0.18 -1.63 -0.56 0.00 0.00 0.00 0.00 46.02 43.65 3pcj n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcj n GLU 192 N 0.00 1.20 -1.94 1.61 2.13 -1.26 -0.67 120.64 121.71 3pcj n GLU 192 Ca 0.00 0.44 -0.13 0.00 0.66 0.00 0.00 57.16 58.13 3pcj n GLU 192 Cb 0.00 -2.13 -0.02 0.00 0.27 0.00 0.00 31.44 29.56 3pcj n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcj n GLY 193 N 3.96 0.38 3.68 8.31 0.00 -1.26 -4.93 105.19 115.34 3pcj n GLY 193 Ca 0.25 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 3pcj n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcj n GLU 194 N -2.39 2.32 -1.92 1.61 2.13 0.16 -4.62 120.64 117.93 3pcj n GLU 194 Ca -0.15 0.84 -0.37 0.00 0.66 0.00 0.00 57.16 58.15 3pcj n GLU 194 Cb 0.55 -2.68 0.04 0.00 0.27 0.00 0.00 31.44 29.63 3pcj n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcj s THR 195 N 2.66 2.40 0.09 6.31 2.01 -0.20 -4.96 115.64 123.94 3pcj s THR 195 Ca 0.85 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 3pcj s THR 195 Cb -0.64 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3pcj s THR 195 CO 0.43 -0.04 0.95 -0.69 -0.69 0.00 0.00 174.62 174.59 3pcj s VAL 196 N -1.46 4.57 0.03 3.82 1.01 -1.26 -4.96 120.40 122.15 3pcj s VAL 196 Ca 0.75 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.86 3pcj s VAL 196 Cb -0.34 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 3pcj s VAL 196 CO 0.39 0.30 -0.24 -0.36 0.00 0.00 0.00 175.10 175.18 3pcj s PHE 197 N 0.14 2.15 0.29 5.22 0.08 -1.26 -4.66 117.98 119.94 3pcj s PHE 197 Ca 0.47 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 57.19 3pcj s PHE 197 Cb -0.23 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3pcj s PHE 197 CO 0.29 0.08 0.21 -0.06 -0.10 0.00 0.00 175.22 175.65 3pcj s PHE 198 N -0.75 2.97 -0.04 0.36 0.08 -0.29 -5.00 117.98 115.32 3pcj s PHE 198 Ca 0.10 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.96 3pcj s PHE 198 Cb -0.09 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 3pcj s PHE 198 CO 0.01 0.39 -0.09 0.34 -0.10 0.00 0.00 175.22 175.77 3pcj s ASP 199 N -3.89 1.26 0.00 1.36 2.15 -1.26 -4.33 116.67 111.96 3pcj s ASP 199 Ca 0.36 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.15 3pcj s ASP 199 Cb -0.07 -0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.13 3pcj s ASP 199 CO 0.25 0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.51