#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 4.79 -0.16 4.25 -1.09 -1.26 -5.03 121.20 122.70 3pcj s ILE 2 Ca 0.00 2.02 -0.01 0.00 -2.23 0.00 0.00 60.65 60.43 3pcj s ILE 2 Cb 0.00 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 3pcj s ILE 2 CO 0.00 0.01 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.01 3pcj s GLU 3 N 1.97 3.39 0.67 2.79 0.41 -1.26 -5.13 118.70 121.54 3pcj s GLU 3 Ca 0.48 -0.66 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 3pcj s GLU 3 Cb -0.18 -2.76 0.11 0.00 -1.78 0.00 0.00 34.13 29.52 3pcj s GLU 3 CO 0.18 0.08 0.93 -0.51 -0.49 0.00 0.00 175.26 175.45 3pcj s LEU 4 N 0.72 3.04 0.47 1.80 1.02 -1.26 -5.04 118.68 119.43 3pcj s LEU 4 Ca -0.05 -0.38 -0.24 0.00 0.02 0.00 0.00 54.13 53.48 3pcj s LEU 4 Cb -0.15 -2.07 -0.07 0.00 0.02 0.00 0.00 46.19 43.92 3pcj s LEU 4 CO 0.02 -1.68 1.35 -0.76 0.02 0.00 0.00 176.35 175.30 3pcj s LEU 5 N -5.02 4.04 0.40 1.79 1.43 -1.26 -4.95 118.68 115.11 3pcj s LEU 5 Ca 0.64 2.74 -0.24 0.00 -1.03 0.00 0.00 54.13 56.24 3pcj s LEU 5 Cb -0.06 -4.08 -0.09 0.00 0.03 0.00 0.00 46.19 41.99 3pcj s LEU 5 CO 0.43 -1.21 1.06 -2.16 0.23 0.00 0.00 176.35 174.69 3pcj s PRO 6 N -2.59 4.16 0.36 1.29 0.04 -1.26 -5.01 135.00 131.99 3pcj s PRO 6 Ca 0.64 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 3pcj s PRO 6 Cb -0.40 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 3pcj s PRO 6 CO 0.49 -0.15 1.12 -2.00 0.04 0.00 0.00 177.00 176.51 3pcj s GLU 7 N -2.48 4.29 0.18 4.56 2.12 -1.26 -4.96 118.70 121.15 3pcj s GLU 7 Ca 0.58 1.76 -0.33 0.00 0.36 0.00 0.00 54.97 57.34 3pcj s GLU 7 Cb -0.22 -2.83 -0.13 0.00 0.26 0.00 0.00 34.13 31.21 3pcj s GLU 7 CO 0.28 -0.09 1.67 2.41 -0.54 0.00 0.00 175.26 178.99 3pcj n THR 8 N 0.44 0.02 -2.10 -1.70 -1.04 -1.26 -4.93 114.28 103.71 3pcj n THR 8 Ca 0.02 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.65 3pcj n THR 8 Cb 0.46 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.14 3.74 0.69 -2.82 0.02 -1.26 -5.02 135.00 131.49 3pcj s PRO 9 Ca 0.77 1.99 -0.12 0.00 0.02 0.00 0.00 61.00 63.66 3pcj s PRO 9 Cb -0.58 -2.52 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3pcj s PRO 9 CO 0.35 -0.63 1.07 0.45 -0.33 0.00 0.00 177.00 177.92 3pcj s SER 10 N -1.06 5.18 0.02 2.53 0.15 -1.26 -5.08 113.70 114.18 3pcj s SER 10 Ca 0.62 1.76 -0.05 0.00 0.70 0.00 0.00 55.95 58.99 3pcj s SER 10 Cb -0.34 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.44 3pcj s SER 10 CO 0.42 -1.58 0.08 -1.10 1.20 0.00 0.00 173.24 172.26 3pcj s GLN 11 N -4.69 0.48 0.62 5.44 -1.52 -1.19 -4.90 119.66 113.89 3pcj s GLN 11 Ca 0.61 -0.59 -0.19 0.00 -1.95 0.00 0.00 55.36 53.24 3pcj s GLN 11 Cb -0.16 0.19 -0.02 0.00 -0.22 0.00 0.00 33.01 32.80 3pcj s GLN 11 CO 0.50 -0.11 1.31 -0.08 -0.25 0.00 0.00 175.29 176.66 3pcj s THR 12 N -1.87 2.07 0.02 -0.19 -1.32 -1.23 -4.76 115.64 108.36 3pcj s THR 12 Ca -0.11 0.05 0.32 0.00 -1.21 0.00 0.00 61.69 60.74 3pcj s THR 12 Cb -0.06 -3.02 0.38 0.00 -1.51 0.00 0.00 72.50 68.30 3pcj s THR 12 CO -0.01 -0.01 1.93 0.00 -2.21 0.00 0.00 174.62 174.32 3pcj h ALA 13 N 0.79 1.00 -1.22 11.08 0.00 -1.75 -3.49 119.26 125.67 3pcj h ALA 13 Ca -0.51 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.54 3pcj h ALA 13 Cb 1.33 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3pcj h ALA 13 CO 0.54 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.92 3pcj n GLY 14 N 0.18 -1.93 0.20 0.00 0.00 -1.26 -3.98 105.19 98.39 3pcj n GLY 14 Ca 0.01 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.50 0.00 -0.61 1.61 0.13 -1.93 -3.27 132.00 127.43 3pcj h PRO 15 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3pcj h PRO 15 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3pcj h PRO 15 CO 0.01 0.33 0.00 0.66 -0.23 0.00 0.00 178.00 178.77 3pcj n TYR 16 N -3.49 1.06 -0.05 1.56 4.01 -1.26 -4.61 117.16 114.38 3pcj n TYR 16 Ca -0.00 -0.43 0.25 0.00 -0.16 0.00 0.00 57.90 57.55 3pcj n TYR 16 Cb 0.49 -0.17 0.66 0.00 -0.31 0.00 0.00 39.34 40.02 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 3.10 0.26 -0.15 -0.72 3.04 -1.69 -0.52 116.25 119.57 3pcj h VAL 17 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 3pcj h VAL 17 Cb 1.08 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 3pcj h VAL 17 CO 0.15 0.00 -0.32 0.45 -1.01 0.00 0.00 177.57 176.84 3pcj h HIS 18 N 0.00 0.34 -0.84 3.17 3.86 -1.83 -0.03 115.15 119.82 3pcj h HIS 18 Ca 0.33 -0.08 0.14 0.00 -1.16 0.00 0.00 60.37 59.60 3pcj h HIS 18 Cb 1.77 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 30.10 3pcj h HIS 18 CO 0.00 0.59 0.55 -0.84 0.86 0.00 0.00 177.93 179.09 3pcj h ILE 19 N 0.27 0.84 0.03 2.45 3.07 -1.30 0.33 117.51 123.19 3pcj h ILE 19 Ca 0.03 -0.21 -0.37 0.00 1.55 0.00 0.00 64.86 65.87 3pcj h ILE 19 Cb 0.70 0.16 -0.06 0.00 -0.27 0.00 0.00 36.82 37.35 3pcj h ILE 19 CO 0.05 0.11 -2.25 0.61 -1.05 0.00 0.00 178.15 175.63 3pcj n GLY 20 N -1.46 -0.66 0.14 0.16 0.00 -1.00 -4.55 105.19 97.82 3pcj n GLY 20 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.14 1.22 -2.89 0.99 4.77 -0.06 -4.80 117.00 113.09 3pcj n LEU 21 Ca -0.36 -0.95 -0.13 0.00 -0.03 0.00 0.00 56.01 54.55 3pcj n LEU 21 Cb 1.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.17 3pcj n LEU 21 CO 0.37 0.27 0.08 0.00 -1.33 0.00 0.00 177.39 176.77 3pcj n ALA 22 N 0.10 -0.10 -0.23 -1.18 0.00 0.11 -4.96 120.51 114.24 3pcj n ALA 22 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.41 3pcj n ALA 22 Cb 0.10 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.48 3pcj n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcj h LEU 23 N 3.70 -0.57 0.54 0.00 4.07 -1.56 -1.39 115.31 120.11 3pcj h LEU 23 Ca -0.07 0.20 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 3pcj h LEU 23 Cb 1.00 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 3pcj h LEU 23 CO 0.33 -0.21 -0.41 -0.08 -1.08 0.00 0.00 178.44 177.00 3pcj h GLU 24 N 0.01 -0.89 -0.93 1.13 4.81 -1.86 -0.41 114.58 116.44 3pcj h GLU 24 Ca 0.33 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.85 3pcj h GLU 24 Cb 0.51 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 29.96 3pcj h GLU 24 CO -0.67 -0.60 0.47 0.00 -0.73 0.00 0.00 179.01 177.48 3pcj h ALA 25 N -0.63 1.56 0.00 2.92 0.00 -1.73 2.05 119.26 123.42 3pcj h ALA 25 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3pcj h ALA 25 Cb 0.78 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3pcj h ALA 25 CO 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3pcj h ALA 26 N 1.72 1.00 -0.34 0.00 0.00 -0.99 -3.45 119.26 117.19 3pcj h ALA 26 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3pcj h ALA 26 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3pcj h ALA 26 CO -0.51 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.15 3pcj n GLY 27 N -0.56 0.75 3.56 0.00 0.00 0.69 -4.99 105.19 104.65 3pcj n GLY 27 Ca -0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.85 4.13 0.27 1.61 0.01 -0.19 -5.02 114.94 112.90 3pcj s ASN 28 Ca 0.00 -0.73 -0.30 0.00 -0.71 0.00 0.00 52.86 51.12 3pcj s ASN 28 Cb 0.00 -0.63 -0.10 0.00 0.41 0.00 0.00 41.25 40.93 3pcj s ASN 28 CO 0.00 0.05 1.45 -2.16 -1.51 0.00 0.00 177.10 174.93 3pcj s PRO 29 N -3.28 4.25 0.73 -0.60 0.04 -1.26 -3.77 135.00 131.11 3pcj s PRO 29 Ca 0.28 2.34 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 3pcj s PRO 29 Cb -0.07 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 31.53 3pcj s PRO 29 CO 0.16 -0.43 1.00 0.25 0.04 0.00 0.00 177.00 178.03 3pcj n THR 30 N 2.03 0.00 -3.51 1.26 -2.24 -1.26 -4.88 114.28 105.68 3pcj n THR 30 Ca 0.06 -1.40 -0.23 0.00 -2.27 0.00 0.00 64.05 60.21 3pcj n THR 30 Cb 0.40 -1.02 0.01 0.00 -2.10 0.00 0.00 70.33 67.62 3pcj n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3pcj s ARG 31 N -5.10 2.36 0.18 -0.78 0.52 -1.26 -5.03 118.95 109.84 3pcj s ARG 31 Ca 0.64 -1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 53.96 3pcj s ARG 31 Cb -0.03 -2.36 0.16 0.00 0.52 0.00 0.00 34.95 33.23 3pcj s ARG 31 CO 0.43 -0.58 1.73 -0.44 0.02 0.00 0.00 175.30 176.46 3pcj h ASP 32 N 0.63 0.05 -3.20 0.23 3.32 -2.07 -3.39 116.42 111.98 3pcj h ASP 32 Ca -0.36 0.07 -0.67 0.00 0.02 0.00 0.00 57.03 56.10 3pcj h ASP 32 Cb 1.29 0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.60 3pcj h ASP 32 CO 0.52 0.06 -0.82 -1.10 -1.72 0.00 0.00 179.24 176.18 3pcj s GLN 33 N -6.14 3.06 0.02 3.56 -0.21 -1.26 -5.12 119.66 113.56 3pcj s GLN 33 Ca -0.13 -0.80 0.05 0.00 0.02 0.00 0.00 55.36 54.50 3pcj s GLN 33 Cb 0.15 -2.72 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 3pcj s GLN 33 CO 0.72 -0.23 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.30 3pcj s GLU 34 N 1.34 1.10 -0.36 2.91 0.41 -1.26 -5.11 118.70 117.72 3pcj s GLU 34 Ca 0.04 -0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 53.73 3pcj s GLU 34 Cb -0.14 -1.10 0.01 0.00 -1.78 0.00 0.00 34.13 31.12 3pcj s GLU 34 CO -0.10 0.29 0.66 0.42 -0.49 0.00 0.00 175.26 176.05 3pcj s ILE 35 N -0.60 4.85 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.56 3pcj s ILE 35 Ca 0.04 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3pcj s ILE 35 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3pcj s ILE 35 CO 0.00 -0.36 0.00 1.87 0.00 0.00 0.00 174.94 176.46 3pcj n TRP 36 N 6.13 0.00 0.73 3.97 -0.00 -1.26 -4.56 117.44 122.44 3pcj n TRP 36 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 3pcj n TRP 36 Cb 0.48 0.00 0.13 0.00 -0.00 0.00 0.00 31.31 31.93 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 -0.08 2.07 -3.96 5.87 6.94 -0.38 -1.56 115.26 124.15 3pcj n ASN 37 Ca 0.00 -2.17 -0.31 0.00 -0.02 0.00 0.00 54.58 52.08 3pcj n ASN 37 Cb 0.00 -0.38 -0.14 0.00 -2.36 0.00 0.00 39.78 36.91 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 -1.64 2.05 0.26 -3.83 6.06 -1.26 -0.56 118.95 120.03 3pcj s ARG 38 Ca 0.19 -2.63 0.12 0.00 -2.50 0.00 0.00 55.73 50.91 3pcj s ARG 38 Cb 0.12 -3.36 0.26 0.00 0.06 0.00 0.00 34.95 32.03 3pcj s ARG 38 CO 0.09 -1.12 1.54 -0.07 -2.50 0.00 0.00 175.30 173.24 3pcj h LEU 39 N 6.53 0.00 -8.44 -0.88 4.07 -1.14 -3.45 115.31 111.99 3pcj h LEU 39 Ca -0.07 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.24 3pcj h LEU 39 Cb 0.89 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.33 3pcj h LEU 39 CO 0.69 0.63 -0.87 0.00 -1.08 0.00 0.00 178.44 177.82 3pcj s ALA 40 N -3.30 1.92 0.23 1.53 0.00 -1.22 0.56 121.76 121.48 3pcj s ALA 40 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 3pcj s ALA 40 Cb 0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 3pcj s ALA 40 CO 0.75 0.41 0.92 0.15 0.00 0.00 0.00 175.76 177.99 3pcj s LYS 41 N -0.29 4.81 0.60 0.00 1.02 0.99 -4.81 119.74 122.07 3pcj s LYS 41 Ca 0.02 1.44 0.30 0.00 0.02 0.00 0.00 55.97 57.75 3pcj s LYS 41 Cb -0.11 -3.26 1.05 0.00 -0.52 0.00 0.00 37.83 34.99 3pcj s LYS 41 CO 0.01 0.52 1.35 -1.35 -0.92 0.00 0.00 175.35 174.96 3pcj h PRO 42 N 4.13 0.00 -0.64 -1.68 0.11 -2.00 1.72 132.00 133.65 3pcj h PRO 42 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3pcj h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3pcj h PRO 42 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3pcj n ASP 43 N -3.36 4.66 -4.79 -2.05 5.75 -1.26 -4.93 116.55 110.57 3pcj n ASP 43 Ca 0.26 -2.60 -0.36 0.00 -0.01 0.00 0.00 54.79 52.08 3pcj n ASP 43 Cb 1.60 -0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 41.02 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 -2.17 3.17 0.73 2.12 0.00 0.59 -5.03 121.76 121.18 3pcj s ALA 44 Ca 0.46 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3pcj s ALA 44 Cb 0.32 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 20.29 3pcj s ALA 44 CO 0.18 0.13 1.10 -1.25 0.00 0.00 0.00 175.76 175.92 3pcj s PRO 45 N -2.26 2.43 0.00 0.00 0.05 -1.26 -4.89 135.00 129.07 3pcj s PRO 45 Ca 0.53 1.28 0.00 0.00 0.05 0.00 0.00 61.00 62.85 3pcj s PRO 45 Cb -0.18 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.46 3pcj s PRO 45 CO 0.23 -1.52 0.00 0.41 0.05 0.00 0.00 177.00 176.17 3pcj n GLY 46 N -0.88 1.20 3.50 0.56 0.00 -1.26 -4.67 105.19 103.64 3pcj n GLY 46 Ca 0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 3.16 0.18 1.61 2.12 -1.26 -4.97 118.70 117.94 3pcj s GLU 47 Ca 0.00 -0.58 -0.32 0.00 0.36 0.00 0.00 54.97 54.44 3pcj s GLU 47 Cb 0.00 -4.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.05 3pcj s GLU 47 CO 0.00 -1.97 1.68 -1.01 -0.54 0.00 0.00 175.26 173.42 3pcj s HIS 48 N 4.83 2.84 0.23 5.30 3.76 -1.26 -1.98 115.29 129.00 3pcj s HIS 48 Ca 0.28 0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.61 3pcj s HIS 48 Cb -0.12 -4.07 -0.05 0.00 1.11 0.00 0.00 32.58 29.44 3pcj s HIS 48 CO 0.12 -4.09 0.01 0.96 -0.85 0.00 0.00 174.74 170.90 3pcj s ILE 49 N 1.44 0.92 -0.12 0.60 -4.36 0.10 -4.62 121.20 115.16 3pcj s ILE 49 Ca 0.74 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 59.14 3pcj s ILE 49 Cb -0.47 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 40.88 3pcj s ILE 49 CO 0.32 -0.30 -0.22 -0.22 0.24 0.00 0.00 174.94 174.77 3pcj s LEU 50 N -3.29 2.19 -0.04 0.37 2.96 -0.16 -2.29 118.68 118.42 3pcj s LEU 50 Ca 0.29 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3pcj s LEU 50 Cb 0.06 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 3pcj s LEU 50 CO 0.09 0.14 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.44 3pcj s LEU 51 N 0.47 3.23 0.11 -0.68 1.43 -0.11 -1.26 118.68 121.87 3pcj s LEU 51 Ca -0.15 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 3pcj s LEU 51 Cb -0.17 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3pcj s LEU 51 CO 0.06 0.33 0.41 -1.48 0.23 0.00 0.00 176.35 175.89 3pcj s LEU 52 N -1.09 0.38 0.00 1.79 -0.00 -0.64 -1.43 118.68 117.69 3pcj s LEU 52 Ca 0.15 -0.27 0.00 0.00 -0.00 0.00 0.00 54.13 54.01 3pcj s LEU 52 Cb -0.11 1.84 0.00 0.00 -0.00 0.00 0.00 46.19 47.92 3pcj s LEU 52 CO 0.04 -0.83 0.00 0.61 -0.00 0.00 0.00 176.35 176.17 3pcj n GLY 53 N -0.13 0.27 3.69 -3.48 0.00 -1.09 -0.63 105.19 103.82 3pcj n GLY 53 Ca -0.16 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 2.16 -0.06 1.61 -0.21 -1.25 -1.68 119.66 118.22 3pcj s GLN 54 Ca 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 55.36 53.58 3pcj s GLN 54 Cb 0.00 -1.94 0.02 0.00 1.00 0.00 0.00 33.01 32.09 3pcj s GLN 54 CO 0.00 -0.01 -0.10 0.08 -2.12 0.00 0.00 175.29 173.14 3pcj s VAL 55 N -2.57 1.01 0.07 1.09 1.01 -1.26 -0.82 120.40 118.92 3pcj s VAL 55 Ca 0.38 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.04 3pcj s VAL 55 Cb 0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3pcj s VAL 55 CO 0.21 0.33 -0.18 -0.31 0.00 0.00 0.00 175.10 175.15 3pcj s TYR 56 N 0.78 2.56 0.71 5.22 1.51 0.11 -0.55 117.35 127.69 3pcj s TYR 56 Ca -0.13 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 3pcj s TYR 56 Cb -0.15 -1.43 0.15 0.00 -0.11 0.00 0.00 41.96 40.42 3pcj s TYR 56 CO 0.02 0.30 0.97 -0.40 -1.11 0.00 0.00 175.55 175.33 3pcj n ASP 57 N 1.30 0.59 0.10 2.29 5.68 0.61 -1.71 116.55 125.42 3pcj n ASP 57 Ca -0.16 -1.67 0.09 0.00 -0.50 0.00 0.00 54.79 52.56 3pcj n ASP 57 Cb 0.52 -0.69 0.43 0.00 -1.14 0.00 0.00 41.12 40.24 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 -1.80 -1.02 0.75 6.12 0.00 -1.26 -2.05 105.19 105.93 3pcj n GLY 58 Ca 0.14 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.04 2.54 0.00 1.61 3.02 -1.26 -4.74 115.26 114.39 3pcj n ASN 59 Ca 0.01 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 3pcj n ASN 59 Cb 0.13 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.19 0.54 3.87 7.41 0.00 -0.87 -5.05 105.19 112.29 3pcj n GLY 60 Ca 0.11 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 3.47 0.40 1.61 3.76 -1.26 -4.77 115.29 116.50 3pcj s HIS 61 Ca 0.00 0.85 -0.26 0.00 -0.15 0.00 0.00 55.06 55.50 3pcj s HIS 61 Cb 0.00 -2.23 -0.09 0.00 1.11 0.00 0.00 32.58 31.37 3pcj s HIS 61 CO 0.00 0.33 1.26 -0.51 -0.85 0.00 0.00 174.74 174.97 3pcj s LEU 62 N -2.61 4.23 -0.46 0.89 1.43 -1.26 -0.28 118.68 120.61 3pcj s LEU 62 Ca 0.44 2.57 -0.14 0.00 -1.03 0.00 0.00 54.13 55.97 3pcj s LEU 62 Cb -0.12 -3.91 0.08 0.00 0.03 0.00 0.00 46.19 42.26 3pcj s LEU 62 CO 0.21 -0.77 0.36 -0.69 0.23 0.00 0.00 176.35 175.69 3pcj s VAL 63 N -1.29 4.94 -2.32 -1.59 1.01 0.29 -4.81 120.40 116.62 3pcj s VAL 63 Ca 0.56 -1.19 0.21 0.00 0.00 0.00 0.00 61.98 61.57 3pcj s VAL 63 Cb -0.36 -3.98 0.44 0.00 0.00 0.00 0.00 36.38 32.48 3pcj s VAL 63 CO 0.46 -0.57 1.46 0.54 0.00 0.00 0.00 175.10 176.98 3pcj n ARG 64 N 5.12 2.13 -0.72 2.72 1.74 -1.26 -4.25 116.66 122.15 3pcj n ARG 64 Ca -0.12 -1.71 0.06 0.00 -0.77 0.00 0.00 57.85 55.31 3pcj n ARG 64 Cb 0.43 -1.44 0.15 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.92 1.56 -4.87 0.55 5.68 -1.26 -4.04 116.55 115.09 3pcj n ASP 65 Ca 0.18 -3.28 -0.31 0.00 -0.50 0.00 0.00 54.79 50.87 3pcj n ASP 65 Cb 0.46 -0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 39.95 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 -2.80 6.60 -0.05 -1.12 1.04 -1.26 -4.50 113.70 111.61 3pcj s SER 66 Ca 0.34 0.99 0.05 0.00 0.48 0.00 0.00 55.95 57.81 3pcj s SER 66 Cb 0.34 -2.26 -0.00 0.00 0.10 0.00 0.00 66.02 64.20 3pcj s SER 66 CO -0.07 -0.18 -0.19 0.12 0.98 0.00 0.00 173.24 173.90 3pcj s PHE 67 N -2.00 1.90 0.09 5.02 5.36 -0.23 -2.01 117.98 126.11 3pcj s PHE 67 Ca 0.49 -0.57 0.07 0.00 -0.96 0.00 0.00 56.93 55.96 3pcj s PHE 67 Cb -0.11 -1.27 -0.03 0.00 -0.34 0.00 0.00 43.02 41.27 3pcj s PHE 67 CO 0.24 -0.19 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.11 3pcj s LEU 68 N 0.04 2.29 -0.02 6.12 1.02 0.07 -1.37 118.68 126.83 3pcj s LEU 68 Ca -0.05 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.47 3pcj s LEU 68 Cb -0.12 -0.74 -0.00 0.00 0.02 0.00 0.00 46.19 45.34 3pcj s LEU 68 CO 0.03 0.01 -0.10 -1.61 0.02 0.00 0.00 176.35 174.70 3pcj s GLU 69 N -1.82 0.88 0.08 1.70 2.02 -0.68 -1.40 118.70 119.48 3pcj s GLU 69 Ca 0.03 -0.34 0.07 0.00 0.02 0.00 0.00 54.97 54.76 3pcj s GLU 69 Cb -0.10 -0.84 -0.03 0.00 0.10 0.00 0.00 34.13 33.26 3pcj s GLU 69 CO 0.03 0.17 -0.19 0.14 0.02 0.00 0.00 175.26 175.43 3pcj s VAL 70 N -0.05 1.54 -0.05 2.63 -7.23 -0.48 -1.55 120.40 115.22 3pcj s VAL 70 Ca 0.01 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3pcj s VAL 70 Cb -0.06 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.52 3pcj s VAL 70 CO -0.00 -0.01 0.08 0.86 -0.31 0.00 0.00 175.10 175.72 3pcj s TRP 71 N -1.05 0.00 0.10 2.82 -0.11 -0.93 -2.26 118.94 117.51 3pcj s TRP 71 Ca 0.05 0.33 -0.13 0.00 1.22 0.00 0.00 56.10 57.57 3pcj s TRP 71 Cb -0.09 -0.41 0.02 0.00 -1.50 0.00 0.00 33.47 31.48 3pcj s TRP 71 CO 0.03 -0.20 0.30 1.14 -4.62 0.00 0.00 176.95 173.60 3pcj s GLN 72 N 2.12 0.95 0.58 5.86 -2.07 -0.28 -1.13 119.66 125.68 3pcj s GLN 72 Ca 0.04 -0.80 -0.09 0.00 -1.82 0.00 0.00 55.36 52.68 3pcj s GLN 72 Cb -0.12 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 3pcj s GLN 72 CO -0.04 -0.34 0.96 0.00 -1.32 0.00 0.00 175.29 174.55 3pcj s ALA 73 N -3.73 3.18 1.02 2.60 0.00 -1.26 -4.44 121.76 119.13 3pcj s ALA 73 Ca 0.03 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 3pcj s ALA 73 Cb 0.03 -2.91 0.23 0.00 0.00 0.00 0.00 23.12 20.46 3pcj s ALA 73 CO -0.11 -0.62 1.29 -0.40 0.00 0.00 0.00 175.76 175.92 3pcj n ASP 74 N -2.62 -0.10 0.15 0.00 5.68 0.26 -4.38 116.55 115.54 3pcj n ASP 74 Ca 0.04 -1.44 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 3pcj n ASP 74 Cb 0.55 -1.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.06 3pcj n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcj n ALA 75 N -3.94 1.07 0.82 2.12 0.00 -1.26 -1.00 120.51 118.33 3pcj n ALA 75 Ca -0.21 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3pcj n ALA 75 Cb 0.57 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 19.01 3pcj n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3pcj n ASN 76 N -2.19 2.61 -0.60 0.00 3.02 -1.26 -4.07 115.26 112.78 3pcj n ASN 76 Ca -0.01 -1.86 -0.03 0.00 -0.03 0.00 0.00 54.58 52.65 3pcj n ASN 76 Cb 0.04 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.33 0.58 3.17 7.41 0.00 -0.17 -4.84 105.19 112.66 3pcj n GLY 77 Ca 0.17 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 3pcj n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcj s GLU 78 N -4.72 1.92 -0.21 1.61 2.02 -1.24 -4.73 118.70 113.36 3pcj s GLU 78 Ca 0.04 -0.68 -0.20 0.00 0.02 0.00 0.00 54.97 54.14 3pcj s GLU 78 Cb -0.02 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 3pcj s GLU 78 CO 0.05 0.30 0.60 0.71 0.02 0.00 0.00 175.26 176.94 3pcj s TYR 79 N -0.07 3.35 -0.78 1.61 2.02 -1.26 0.91 117.35 123.13 3pcj s TYR 79 Ca -0.02 0.87 -0.08 0.00 -0.37 0.00 0.00 57.07 57.46 3pcj s TYR 79 Cb -0.11 -2.78 0.20 0.00 -0.40 0.00 0.00 41.96 38.87 3pcj s TYR 79 CO 0.02 -0.19 0.68 -0.65 -1.57 0.00 0.00 175.55 173.84 3pcj s GLN 80 N 1.97 3.24 0.23 -0.62 -1.52 -1.26 -4.92 119.66 116.78 3pcj s GLN 80 Ca 0.27 -2.64 0.11 0.00 -1.95 0.00 0.00 55.36 51.15 3pcj s GLN 80 Cb -0.16 -4.14 0.16 0.00 -0.22 0.00 0.00 33.01 28.66 3pcj s GLN 80 CO 0.10 -1.24 1.49 0.38 -0.25 0.00 0.00 175.29 175.76 3pcj h ASP 81 N 7.22 0.00 -1.95 5.90 2.03 -1.97 -3.23 116.42 124.42 3pcj h ASP 81 Ca 0.07 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.87 3pcj h ASP 81 Cb 0.97 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.41 3pcj h ASP 81 CO 0.77 0.70 1.19 0.00 -1.03 0.00 0.00 179.24 180.87 3pcj s ALA 82 N -3.19 2.42 0.04 4.15 0.00 -1.26 -4.93 121.76 119.00 3pcj s ALA 82 Ca 0.01 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 3pcj s ALA 82 Cb 0.11 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.85 3pcj s ALA 82 CO 0.77 -3.69 1.09 -0.47 0.00 0.00 0.00 175.76 173.46 3pcj s TYR 83 N 7.38 3.55 -0.27 0.00 6.14 -1.26 -4.99 117.35 127.90 3pcj s TYR 83 Ca 0.52 1.51 -0.15 0.00 0.64 0.00 0.00 57.07 59.58 3pcj s TYR 83 Cb -0.09 -3.27 0.08 0.00 0.42 0.00 0.00 41.96 39.10 3pcj s TYR 83 CO 0.14 -0.64 0.65 1.21 0.64 0.00 0.00 175.55 177.55 3pcj s ASN 84 N 0.96 -0.89 0.40 4.32 3.84 -1.26 -5.04 114.94 117.27 3pcj s ASN 84 Ca 0.55 1.44 0.28 0.00 0.21 0.00 0.00 52.86 55.33 3pcj s ASN 84 Cb -0.26 1.31 1.40 0.00 -0.55 0.00 0.00 41.25 43.16 3pcj s ASN 84 CO 0.29 -0.23 1.85 -0.07 -2.79 0.00 0.00 177.10 176.14 3pcj h LEU 85 N 6.97 0.00 0.00 3.21 3.38 -1.97 -2.33 115.31 124.57 3pcj h LEU 85 Ca -0.31 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 3pcj h LEU 85 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3pcj h LEU 85 CO 0.18 0.00 -1.05 -0.33 0.09 0.00 0.00 178.44 177.33 3pcj h GLU 86 N 0.00 0.00 -7.02 1.13 5.08 -2.00 -3.47 114.58 108.30 3pcj h GLU 86 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3pcj h GLU 86 Cb 0.14 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.57 3pcj h GLU 86 CO 0.00 0.79 0.24 0.09 -1.00 0.00 0.00 179.01 179.13 3pcj n ASN 87 N -3.25 0.97 0.13 1.42 3.02 -0.88 -4.90 115.26 111.77 3pcj n ASN 87 Ca -0.03 0.70 -0.00 0.00 -0.03 0.00 0.00 54.58 55.22 3pcj n ASN 87 Cb 0.92 -1.46 0.12 0.00 -0.61 0.00 0.00 39.78 38.75 3pcj n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcj h ALA 88 N -0.14 0.78 -3.63 5.41 0.00 -1.90 -3.44 119.26 116.33 3pcj h ALA 88 Ca -0.48 -0.57 -0.25 0.00 0.00 0.00 0.00 54.91 53.61 3pcj h ALA 88 Cb 1.33 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 3pcj h ALA 88 CO 0.48 0.78 -0.71 0.12 0.00 0.00 0.00 179.25 179.92 3pcj s PHE 89 N -3.28 -0.01 -0.04 0.00 5.36 -1.25 0.33 117.98 119.09 3pcj s PHE 89 Ca 0.01 0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 3pcj s PHE 89 Cb 0.11 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 3pcj s PHE 89 CO 0.75 -0.04 -0.13 -0.80 -1.46 0.00 0.00 175.22 173.55 3pcj s ASN 90 N 0.35 1.71 0.45 6.13 0.01 0.19 -4.97 114.94 118.80 3pcj s ASN 90 Ca -0.03 -0.28 0.24 0.00 -0.71 0.00 0.00 52.86 52.08 3pcj s ASN 90 Cb -0.04 -0.54 1.01 0.00 0.41 0.00 0.00 41.25 42.09 3pcj s ASN 90 CO -0.01 0.09 1.87 0.28 -1.51 0.00 0.00 177.10 177.82 3pcj h SER 91 N 6.46 0.00 -3.45 -1.22 0.02 -1.77 -3.43 113.55 110.16 3pcj h SER 91 Ca -0.33 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.96 3pcj h SER 91 Cb 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 3pcj h SER 91 CO 0.48 0.23 -0.67 0.12 -1.14 0.00 0.00 176.83 175.85 3pcj s PHE 92 N -3.79 2.99 0.25 3.45 5.36 -1.26 -1.13 117.98 123.85 3pcj s PHE 92 Ca -0.00 0.02 -0.22 0.00 -0.96 0.00 0.00 56.93 55.77 3pcj s PHE 92 Cb 0.11 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 41.20 3pcj s PHE 92 CO 0.63 0.43 0.72 0.20 -1.46 0.00 0.00 175.22 175.74 3pcj s GLY 93 N -1.64 -0.19 0.03 13.12 0.00 -0.96 -4.83 107.32 112.84 3pcj s GLY 93 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.79 3pcj s GLY 93 CO 0.11 -0.04 -0.08 0.50 0.00 0.00 0.00 173.10 173.58 3pcj s ARG 94 N -3.85 0.57 0.20 2.90 0.52 -0.60 -1.38 118.95 117.30 3pcj s ARG 94 Ca 0.09 -0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 3pcj s ARG 94 Cb -0.05 -0.45 -0.00 0.00 0.52 0.00 0.00 34.95 34.97 3pcj s ARG 94 CO 0.03 0.11 0.39 -0.08 0.02 0.00 0.00 175.30 175.77 3pcj s THR 95 N -0.84 0.04 0.10 0.02 -1.32 -0.49 -1.25 115.64 111.89 3pcj s THR 95 Ca -0.04 -1.27 -0.18 0.00 -1.21 0.00 0.00 61.69 58.99 3pcj s THR 95 Cb -0.07 -1.90 0.04 0.00 -1.51 0.00 0.00 72.50 69.06 3pcj s THR 95 CO 0.00 -0.17 0.44 0.00 -2.21 0.00 0.00 174.62 172.69 3pcj s ALA 96 N -3.97 -1.08 0.12 11.08 0.00 -1.26 -0.75 121.76 125.90 3pcj s ALA 96 Ca 0.17 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.23 3pcj s ALA 96 Cb 0.01 0.59 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 3pcj s ALA 96 CO 0.02 -0.59 0.43 0.95 0.00 0.00 0.00 175.76 176.57 3pcj s THR 97 N -3.29 5.07 0.22 0.00 -4.23 -0.85 -4.31 115.64 108.24 3pcj s THR 97 Ca -0.00 0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.61 3pcj s THR 97 Cb 0.01 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 3pcj s THR 97 CO -0.08 0.19 1.43 0.42 -0.54 0.00 0.00 174.62 176.04 3pcj s THR 98 N -1.51 2.79 -1.53 3.99 -4.23 -1.22 -4.55 115.64 109.38 3pcj s THR 98 Ca 0.37 0.64 0.11 0.00 -1.18 0.00 0.00 61.69 61.63 3pcj s THR 98 Cb -0.13 -3.41 0.21 0.00 1.34 0.00 0.00 72.50 70.51 3pcj s THR 98 CO 0.20 0.09 1.21 0.49 -0.54 0.00 0.00 174.62 176.07 3pcj n PHE 99 N 2.77 0.00 0.00 3.99 3.72 -1.26 -1.41 117.46 125.28 3pcj n PHE 99 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3pcj n PHE 99 Cb 0.41 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.23 0.00 -0.36 4.37 5.75 -1.26 -4.80 116.55 119.01 3pcj n ASP 100 Ca 0.06 0.00 0.36 0.00 -0.01 0.00 0.00 54.79 55.19 3pcj n ASP 100 Cb 0.08 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.37 3.23 -4.54 2.12 0.00 -2.01 -3.46 119.26 113.24 3pcj h ALA 101 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3pcj h ALA 101 Cb 0.00 0.10 0.13 0.00 0.00 0.00 0.00 17.79 18.01 3pcj h ALA 101 CO 0.00 -1.92 -0.54 0.41 0.00 0.00 0.00 179.25 177.19 3pcj n GLY 102 N -1.78 -0.38 3.07 0.00 0.00 -0.50 -4.95 105.19 100.66 3pcj n GLY 102 Ca 0.29 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.01 1.23 0.25 1.61 2.12 -1.26 -4.51 118.70 114.14 3pcj s GLU 103 Ca 0.26 -0.44 0.06 0.00 0.36 0.00 0.00 54.97 55.20 3pcj s GLU 103 Cb -0.03 -1.13 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 3pcj s GLU 103 CO 0.47 0.20 0.28 1.67 -0.54 0.00 0.00 175.26 177.35 3pcj s TRP 104 N -0.01 3.26 0.04 5.30 1.48 -0.68 -3.46 118.94 124.87 3pcj s TRP 104 Ca -0.01 -0.08 -0.06 0.00 -1.06 0.00 0.00 56.10 54.90 3pcj s TRP 104 Cb -0.08 -1.51 -0.01 0.00 -1.16 0.00 0.00 33.47 30.71 3pcj s TRP 104 CO 0.01 0.46 0.11 0.95 -4.06 0.00 0.00 176.95 174.41 3pcj s THR 105 N -2.07 0.13 -0.06 0.66 -4.23 -1.26 -2.65 115.64 106.15 3pcj s THR 105 Ca 0.34 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 3pcj s THR 105 Cb -0.08 -0.86 0.02 0.00 1.34 0.00 0.00 72.50 72.92 3pcj s THR 105 CO 0.27 -0.57 0.20 -0.22 -0.54 0.00 0.00 174.62 173.76 3pcj s LEU 106 N -2.06 1.25 -0.21 4.79 2.96 -0.52 -4.84 118.68 120.05 3pcj s LEU 106 Ca -0.06 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3pcj s LEU 106 Cb -0.02 0.73 0.02 0.00 0.50 0.00 0.00 46.19 47.42 3pcj s LEU 106 CO -0.04 -0.13 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.71 3pcj s HIS 107 N -0.17 2.91 0.00 5.38 3.76 0.28 -0.93 115.29 126.51 3pcj s HIS 107 Ca -0.03 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 3pcj s HIS 107 Cb -0.03 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.70 3pcj s HIS 107 CO 0.01 -0.77 0.00 -2.37 -0.85 0.00 0.00 174.74 170.75 3pcj n THR 108 N 4.63 0.00 -4.32 1.30 5.66 -0.97 -0.62 114.28 119.96 3pcj n THR 108 Ca -0.19 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.58 3pcj n THR 108 Cb 0.49 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.35 1.78 0.07 1.08 -7.23 -1.26 0.00 120.40 112.49 3pcj s VAL 109 Ca 0.00 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 3pcj s VAL 109 Cb 0.00 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 3pcj s VAL 109 CO 0.00 -0.22 1.38 -0.75 -0.31 0.00 0.00 175.10 175.20 3pcj s LYS 110 N -2.47 4.31 0.47 4.82 2.20 -0.84 -4.85 119.74 123.38 3pcj s LYS 110 Ca 0.12 2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 57.52 3pcj s LYS 110 Cb -0.07 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 3pcj s LYS 110 CO 0.06 -0.48 1.12 -1.25 -0.36 0.00 0.00 175.35 174.44 3pcj s PRO 111 N 1.63 3.76 0.80 4.03 0.04 -1.26 -4.13 135.00 139.87 3pcj s PRO 111 Ca 0.64 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 63.23 3pcj s PRO 111 Cb -0.34 -2.32 0.11 0.00 0.04 0.00 0.00 34.50 32.00 3pcj s PRO 111 CO 0.29 -0.52 1.14 0.20 0.04 0.00 0.00 177.00 178.15 3pcj s GLY 112 N -1.55 1.70 0.22 0.56 0.00 -0.87 -4.71 107.32 102.68 3pcj s GLY 112 Ca 0.65 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 3pcj s GLY 112 CO 0.30 -0.50 0.96 0.14 0.00 0.00 0.00 173.10 174.00 3pcj s VAL 113 N -3.49 4.09 0.11 1.40 1.01 -1.26 -4.45 120.40 117.81 3pcj s VAL 113 Ca 0.65 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.75 3pcj s VAL 113 Cb -0.08 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3pcj s VAL 113 CO 0.48 0.46 -0.19 0.68 0.00 0.00 0.00 175.10 176.53 3pcj s VAL 114 N -0.99 1.62 0.14 2.92 -7.23 -1.26 -4.45 120.40 111.16 3pcj s VAL 114 Ca 0.42 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 3pcj s VAL 114 Cb -0.26 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.07 3pcj s VAL 114 CO 0.32 -0.17 0.38 0.20 -0.31 0.00 0.00 175.10 175.52 3pcj s ASN 115 N -2.11 6.50 0.94 4.85 -0.87 -1.26 -0.33 114.94 122.65 3pcj s ASN 115 Ca 0.08 0.60 -0.13 0.00 -1.57 0.00 0.00 52.86 51.84 3pcj s ASN 115 Cb -0.09 -2.10 0.21 0.00 -0.02 0.00 0.00 41.25 39.26 3pcj s ASN 115 CO 0.04 0.06 1.27 -0.46 -2.57 0.00 0.00 177.10 175.44 3pcj n ASN 116 N 0.14 0.41 -0.32 -1.22 0.23 0.18 -4.86 115.26 109.82 3pcj n ASN 116 Ca -0.03 -1.65 0.07 0.00 -0.53 0.00 0.00 54.58 52.44 3pcj n ASN 116 Cb 0.52 -0.94 0.27 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.50 1.58 0.00 -2.53 0.00 -1.99 -0.83 119.26 113.99 3pcj h ALA 117 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3pcj h ALA 117 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3pcj h ALA 117 CO 0.32 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3pcj n ALA 118 N -2.39 1.93 -0.17 0.00 0.00 -1.26 -4.86 120.51 113.76 3pcj n ALA 118 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3pcj n ALA 118 Cb 0.31 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.28 0.83 3.75 0.00 0.00 -0.32 -5.06 105.19 104.67 3pcj n GLY 119 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.09 5.26 0.25 1.61 1.01 -1.26 -4.74 120.40 120.45 3pcj s VAL 120 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 3pcj s VAL 120 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3pcj s VAL 120 CO 0.00 0.41 1.29 -2.16 0.00 0.00 0.00 175.10 174.64 3pcj s PRO 121 N 0.22 4.41 0.21 2.72 0.04 -1.26 0.50 135.00 141.84 3pcj s PRO 121 Ca 0.19 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3pcj s PRO 121 Cb -0.14 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3pcj s PRO 121 CO 0.06 -0.18 0.38 -1.64 0.04 0.00 0.00 177.00 175.66 3pcj s MET 122 N -0.83 3.50 0.55 4.56 -1.94 0.55 -4.51 119.30 121.16 3pcj s MET 122 Ca 0.53 -0.42 -0.18 0.00 -1.71 0.00 0.00 55.69 53.90 3pcj s MET 122 Cb -0.37 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 33.56 3pcj s MET 122 CO 0.43 0.41 1.08 0.00 -0.01 0.00 0.00 175.02 176.93 3pcj s ALA 123 N -1.89 2.75 0.17 3.03 0.00 -1.26 -4.17 121.76 120.38 3pcj s ALA 123 Ca 0.37 0.61 -0.33 0.00 0.00 0.00 0.00 51.96 52.62 3pcj s ALA 123 Cb -0.11 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3pcj s ALA 123 CO 0.29 -0.66 1.15 -2.30 0.00 0.00 0.00 175.76 174.25 3pcj n PRO 124 N -1.46 1.10 -3.48 0.00 -0.02 -1.26 -4.87 135.00 125.01 3pcj n PRO 124 Ca 0.10 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3pcj n PRO 124 Cb 0.52 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.19 -0.46 -0.15 6.00 -3.43 -1.26 -4.45 115.29 111.34 3pcj s HIS 125 Ca 0.74 0.27 0.02 0.00 -0.80 0.00 0.00 55.06 55.28 3pcj s HIS 125 Cb -0.87 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 30.76 3pcj s HIS 125 CO 0.52 -0.79 -0.20 0.42 -2.00 0.00 0.00 174.74 172.69 3pcj s ILE 126 N -3.57 2.19 0.10 -5.38 1.01 -0.75 -4.61 121.20 110.19 3pcj s ILE 126 Ca 0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 3pcj s ILE 126 Cb -0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 3pcj s ILE 126 CO -0.11 0.54 0.89 0.20 0.00 0.00 0.00 174.94 176.46 3pcj s ASN 127 N 0.94 7.41 -0.01 3.58 0.01 -0.29 -0.23 114.94 126.35 3pcj s ASN 127 Ca -0.04 1.69 0.05 0.00 -0.71 0.00 0.00 52.86 53.85 3pcj s ASN 127 Cb -0.15 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 3pcj s ASN 127 CO -0.04 -0.02 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.74 3pcj s ILE 128 N -0.12 1.24 -0.11 0.60 1.01 -0.18 -2.20 121.20 121.44 3pcj s ILE 128 Ca 0.44 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3pcj s ILE 128 Cb -0.23 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3pcj s ILE 128 CO 0.28 0.35 -0.20 -0.44 0.00 0.00 0.00 174.94 174.93 3pcj s SER 129 N -0.33 2.78 -0.13 3.58 0.01 -0.60 -1.53 113.70 117.49 3pcj s SER 129 Ca 0.05 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 3pcj s SER 129 Cb -0.06 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.88 3pcj s SER 129 CO -0.00 0.08 -0.12 -0.22 0.41 0.00 0.00 173.24 173.39 3pcj s LEU 130 N 0.71 2.80 0.11 2.44 2.96 0.81 -1.69 118.68 126.81 3pcj s LEU 130 Ca -0.11 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3pcj s LEU 130 Cb -0.16 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3pcj s LEU 130 CO 0.02 0.18 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.68 3pcj s PHE 131 N 0.26 1.71 0.00 5.38 0.40 -0.47 -1.42 117.98 123.83 3pcj s PHE 131 Ca -0.08 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3pcj s PHE 131 Cb -0.15 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.45 3pcj s PHE 131 CO 0.05 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.17 3pcj n ALA 132 N 1.00 0.00 -1.77 5.36 0.00 -1.26 -1.07 120.51 122.77 3pcj n ALA 132 Ca -0.19 0.00 -0.40 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 20.01 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 3.70 0.00 0.00 1.70 -1.24 -1.54 118.95 119.56 3pcj s ARG 133 Ca 0.00 2.42 0.00 0.00 -0.47 0.00 0.00 55.73 57.68 3pcj s ARG 133 Cb 0.00 -2.66 0.00 0.00 -0.57 0.00 0.00 34.95 31.72 3pcj s ARG 133 CO 0.00 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 173.82 3pcj n GLY 134 N 0.58 2.14 3.27 3.88 0.00 -1.26 -4.97 105.19 108.83 3pcj n GLY 134 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.38 4.24 0.13 -0.61 1.01 -0.59 -4.98 121.20 118.03 3pcj s ILE 135 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 3pcj s ILE 135 Cb 0.00 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 3pcj s ILE 135 CO 0.00 -0.50 1.62 0.78 0.00 0.00 0.00 174.94 176.84 3pcj h ASN 136 N 8.41 0.69 -3.55 3.58 2.35 -1.89 -3.35 115.58 121.81 3pcj h ASN 136 Ca -0.23 -0.26 -0.41 0.00 -0.55 0.00 0.00 56.30 54.85 3pcj h ASN 136 Cb 1.08 -0.18 -0.33 0.00 0.05 0.00 0.00 38.32 38.94 3pcj h ASN 136 CO 0.76 0.78 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.03 3pcj s ILE 137 N -5.19 0.59 0.67 2.81 2.07 -1.26 -3.18 121.20 117.72 3pcj s ILE 137 Ca -0.13 -0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 58.75 3pcj s ILE 137 Cb 0.11 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 42.11 3pcj s ILE 137 CO 0.79 0.22 1.28 -1.38 -1.91 0.00 0.00 174.94 173.94 3pcj s HIS 138 N 0.69 2.05 -0.19 3.50 -3.43 -1.26 -5.00 115.29 111.65 3pcj s HIS 138 Ca -0.10 1.51 -0.09 0.00 -0.80 0.00 0.00 55.06 55.58 3pcj s HIS 138 Cb -0.13 -3.65 -0.05 0.00 -1.43 0.00 0.00 32.58 27.32 3pcj s HIS 138 CO 0.01 -2.88 0.13 -0.51 -2.00 0.00 0.00 174.74 169.48 3pcj s LEU 139 N -4.56 4.22 -0.13 5.38 1.43 -0.51 -4.88 118.68 119.62 3pcj s LEU 139 Ca 0.81 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 3pcj s LEU 139 Cb -0.36 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3pcj s LEU 139 CO 0.41 0.21 0.13 -1.00 0.23 0.00 0.00 176.35 176.33 3pcj s HIS 140 N 0.16 3.54 0.32 0.29 3.76 -1.26 -0.13 115.29 121.96 3pcj s HIS 140 Ca 0.09 0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 55.33 3pcj s HIS 140 Cb -0.11 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.62 3pcj s HIS 140 CO -0.01 0.63 0.63 -0.08 -0.85 0.00 0.00 174.74 175.06 3pcj s THR 141 N -0.73 0.00 0.06 1.30 -1.32 -0.58 -0.03 115.64 114.33 3pcj s THR 141 Ca 0.13 -1.23 0.04 0.00 -1.21 0.00 0.00 61.69 59.42 3pcj s THR 141 Cb -0.12 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 3pcj s THR 141 CO 0.03 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.19 3pcj s ARG 142 N -3.27 0.72 -0.20 7.08 0.52 -1.26 -1.01 118.95 121.53 3pcj s ARG 142 Ca 0.19 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3pcj s ARG 142 Cb -0.03 -0.65 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 3pcj s ARG 142 CO 0.12 0.14 -0.04 -1.17 0.02 0.00 0.00 175.30 174.37 3pcj s LEU 143 N -1.59 2.99 0.34 2.53 0.20 0.68 -4.76 118.68 119.06 3pcj s LEU 143 Ca -0.04 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.54 3pcj s LEU 143 Cb -0.10 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3pcj s LEU 143 CO 0.01 0.03 0.15 -0.31 -0.29 0.00 0.00 176.35 175.94 3pcj s TYR 144 N 1.20 2.73 -0.14 5.38 1.51 0.70 -1.81 117.35 126.92 3pcj s TYR 144 Ca 0.03 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3pcj s TYR 144 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3pcj s TYR 144 CO -0.01 0.34 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.69 3pcj s PHE 145 N -2.41 3.06 -0.23 2.71 0.08 -1.26 0.78 117.98 120.70 3pcj s PHE 145 Ca 0.38 -0.16 0.26 0.00 0.12 0.00 0.00 56.93 57.53 3pcj s PHE 145 Cb -0.03 -1.92 1.20 0.00 -0.57 0.00 0.00 43.02 41.70 3pcj s PHE 145 CO 0.23 0.10 1.79 0.38 -0.10 0.00 0.00 175.22 177.62 3pcj h ASP 146 N 6.32 0.00 -0.36 1.36 2.03 -1.49 -2.44 116.42 121.84 3pcj h ASP 146 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3pcj h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pcj h ASP 146 CO 0.61 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.92 3pcj n ASP 147 N -2.45 1.97 -1.25 4.15 5.68 -1.26 -3.89 116.55 119.49 3pcj n ASP 147 Ca 0.01 -1.98 -0.05 0.00 -0.50 0.00 0.00 54.79 52.27 3pcj n ASP 147 Cb 0.18 -0.24 0.12 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.57 2.15 -0.32 0.11 -0.58 -0.92 -4.86 120.64 116.79 3pcj n GLU 148 Ca 0.13 -3.51 0.23 0.00 -0.42 0.00 0.00 57.16 53.59 3pcj n GLU 148 Cb 0.31 -1.72 0.45 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.47 1.81 0.47 0.62 0.00 -1.76 0.12 119.26 122.00 3pcj h ALA 149 Ca 0.10 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3pcj h ALA 149 Cb 1.26 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3pcj h ALA 149 CO 0.27 -0.64 -0.27 1.96 0.00 0.00 0.00 179.25 180.57 3pcj h GLN 150 N 0.20 -0.67 -0.42 0.00 4.20 -1.94 -0.70 115.11 115.78 3pcj h GLN 150 Ca 0.72 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.44 3pcj h GLN 150 Cb 1.67 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 3pcj h GLN 150 CO -0.68 -0.45 0.13 0.00 -0.67 0.00 0.00 178.83 177.16 3pcj h ALA 151 N -0.19 0.55 -0.60 3.87 0.00 -1.68 -2.87 119.26 118.34 3pcj h ALA 151 Ca -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3pcj h ALA 151 Cb 0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3pcj h ALA 151 CO 0.07 0.20 0.40 -0.91 0.00 0.00 0.00 179.25 179.01 3pcj h ASN 152 N 0.54 0.42 0.97 0.00 2.35 -0.65 -1.18 115.58 118.03 3pcj h ASN 152 Ca 0.14 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3pcj h ASN 152 Cb 0.26 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3pcj h ASN 152 CO -0.00 0.26 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 3pcj h ALA 153 N 1.69 1.00 -0.11 -0.83 0.00 -0.89 -3.04 119.26 117.09 3pcj h ALA 153 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3pcj h ALA 153 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3pcj h ALA 153 CO -0.08 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.80 3pcj n LYS 154 N -3.01 1.18 -1.97 0.00 5.02 -0.50 -4.96 118.16 113.92 3pcj n LYS 154 Ca 0.01 -1.36 -0.42 0.00 -2.02 0.00 0.00 58.31 54.52 3pcj n LYS 154 Cb 0.29 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 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 6.74 0.00 0.07 0.00 0.13 -1.92 -1.53 132.00 135.49 3pcj h PRO 156 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.90 0.29 -0.03 0.28 -0.23 0.00 0.00 178.00 179.21 3pcj h VAL 157 N 0.00 1.07 -0.80 1.56 2.07 -1.95 -3.13 116.25 115.07 3pcj h VAL 157 Ca -0.00 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.03 3pcj h VAL 157 Cb 0.58 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3pcj h VAL 157 CO 0.04 0.32 0.53 0.25 0.02 0.00 0.00 177.57 178.73 3pcj h LEU 158 N -0.90 0.87 0.00 2.57 5.85 -1.87 -1.37 115.31 120.45 3pcj h LEU 158 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pcj h LEU 158 Cb 0.60 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3pcj h LEU 158 CO 0.02 0.60 0.00 0.59 -0.34 0.00 0.00 178.44 179.31 3pcj n ASN 159 N -4.44 0.00 0.07 1.25 3.02 -0.58 -1.96 115.26 112.61 3pcj n ASN 159 Ca 0.10 0.33 0.12 0.00 -0.03 0.00 0.00 54.58 55.10 3pcj n ASN 159 Cb 0.09 -0.40 0.20 0.00 -0.61 0.00 0.00 39.78 39.06 3pcj n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3pcj n LEU 160 N -1.40 0.72 -4.60 3.41 4.77 -0.52 -4.76 117.00 114.62 3pcj n LEU 160 Ca 0.04 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 3pcj n LEU 160 Cb 0.11 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3pcj n LEU 160 CO 0.09 -0.08 0.91 -0.63 -1.33 0.00 0.00 177.39 176.36 3pcj s ILE 161 N -3.16 4.38 0.15 -0.08 1.01 -0.83 -4.94 121.20 117.73 3pcj s ILE 161 Ca 0.07 1.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 3pcj s ILE 161 Cb 0.13 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3pcj s ILE 161 CO 0.70 -0.79 1.55 -0.33 0.00 0.00 0.00 174.94 176.08 3pcj h GLU 162 N 8.85 -0.25 -5.62 2.79 5.08 -1.87 -3.40 114.58 120.16 3pcj h GLU 162 Ca -0.23 0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 3pcj h GLU 162 Cb 1.07 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 3pcj h GLU 162 CO 1.06 -0.17 0.27 -0.65 -1.00 0.00 0.00 179.01 178.53 3pcj s GLN 163 N -5.70 4.08 0.30 2.33 -1.52 -1.26 -4.99 119.66 112.89 3pcj s GLN 163 Ca -0.14 0.62 0.05 0.00 -1.95 0.00 0.00 55.36 53.93 3pcj s GLN 163 Cb 0.11 -3.67 0.71 0.00 -0.22 0.00 0.00 33.01 29.94 3pcj s GLN 163 CO 0.64 -0.50 1.76 -1.35 -0.25 0.00 0.00 175.29 175.59 3pcj h PRO 164 N 7.91 0.68 -0.14 2.91 0.11 -1.97 -0.54 132.00 140.96 3pcj h PRO 164 Ca -0.25 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.84 3pcj h PRO 164 Cb 1.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3pcj h PRO 164 CO 0.82 0.45 0.10 1.96 -0.21 0.00 0.00 178.00 181.11 3pcj h GLN 165 N 0.70 0.08 0.00 1.05 7.50 -1.96 -2.14 115.11 120.33 3pcj h GLN 165 Ca 0.56 -0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.57 3pcj h GLN 165 Cb 0.89 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.38 3pcj h GLN 165 CO -0.40 0.05 -0.67 0.00 -1.50 0.00 0.00 178.83 176.32 3pcj h ARG 166 N 0.08 0.00 -0.35 1.46 3.08 -1.49 -3.22 114.38 113.94 3pcj h ARG 166 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3pcj h ARG 166 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3pcj h ARG 166 CO -0.01 0.67 0.08 0.00 -1.07 0.00 0.00 179.97 179.64 3pcj h ARG 167 N 0.00 0.50 0.00 0.04 3.08 -1.32 -2.52 114.38 114.16 3pcj h ARG 167 Ca -0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3pcj h ARG 167 Cb 1.39 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3pcj h ARG 167 CO 0.09 0.47 -0.09 0.93 -1.07 0.00 0.00 179.97 180.29 3pcj h GLU 168 N 0.50 0.00 0.00 0.04 5.08 -1.56 -2.69 114.58 115.95 3pcj h GLU 168 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3pcj h GLU 168 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3pcj h GLU 168 CO -0.00 0.09 0.00 1.79 -1.00 0.00 0.00 179.01 179.89 3pcj h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.60 -2.74 112.91 111.03 3pcj h THR 169 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3pcj h THR 169 Cb 0.24 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3pcj h THR 169 CO 0.01 0.00 -0.22 0.18 -0.25 0.00 0.00 175.52 175.24 3pcj n LEU 170 N -2.38 2.00 -4.59 3.87 4.77 -1.01 -4.81 117.00 114.85 3pcj n LEU 170 Ca 0.01 -0.68 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 3pcj n LEU 170 Cb 0.19 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3pcj n LEU 170 CO 0.18 0.35 0.07 -0.63 -1.33 0.00 0.00 177.39 176.03 3pcj s ILE 171 N -2.27 5.16 0.27 -0.08 1.01 -1.04 -0.21 121.20 124.04 3pcj s ILE 171 Ca 0.26 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 3pcj s ILE 171 Cb 0.19 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 3pcj s ILE 171 CO 0.45 0.06 1.01 0.00 0.00 0.00 0.00 174.94 176.46 3pcj s ALA 172 N 2.08 3.34 -0.34 9.38 0.00 0.23 -4.85 121.76 131.61 3pcj s ALA 172 Ca 0.14 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 3pcj s ALA 172 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3pcj s ALA 172 CO 0.11 0.04 0.40 0.15 0.00 0.00 0.00 175.76 176.46 3pcj s LYS 173 N -1.45 3.62 0.47 0.00 1.02 -0.67 -1.21 119.74 121.52 3pcj s LYS 173 Ca 0.44 -0.31 -0.24 0.00 0.02 0.00 0.00 55.97 55.88 3pcj s LYS 173 Cb -0.27 -3.79 -0.07 0.00 -0.52 0.00 0.00 37.83 33.17 3pcj s LYS 173 CO 0.34 -0.53 1.39 0.50 -0.92 0.00 0.00 175.35 176.13 3pcj s ARG 174 N 2.12 3.56 0.00 1.68 3.52 -1.26 -1.98 118.95 126.59 3pcj s ARG 174 Ca 0.14 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 3pcj s ARG 174 Cb -0.16 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 3pcj s ARG 174 CO 0.12 -0.89 0.00 0.00 -0.81 0.00 0.00 175.30 173.72 3pcj s GLU 176 N -0.38 0.36 -0.16 0.00 2.12 -1.26 -1.03 118.70 118.35 3pcj s GLU 176 Ca 0.00 0.57 0.01 0.00 0.36 0.00 0.00 54.97 55.91 3pcj s GLU 176 Cb 0.00 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.48 3pcj s GLU 176 CO 0.00 -0.10 -0.18 0.08 -0.54 0.00 0.00 175.26 174.52 3pcj s VAL 177 N 0.73 1.85 -1.39 3.70 1.01 0.33 -4.71 120.40 121.92 3pcj s VAL 177 Ca -0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3pcj s VAL 177 Cb -0.06 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3pcj s VAL 177 CO -0.05 0.51 0.44 0.47 0.00 0.00 0.00 175.10 176.47 3pcj n ASP 178 N 4.59 -0.47 -2.55 3.32 8.00 -1.26 0.73 116.55 128.91 3pcj n ASP 178 Ca -0.19 -1.00 -0.19 0.00 0.71 0.00 0.00 54.79 54.12 3pcj n ASP 178 Cb 0.50 -3.11 -0.00 0.00 -0.02 0.00 0.00 41.12 38.49 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 -1.96 -0.50 3.28 0.44 0.00 -1.26 -4.96 105.19 100.22 3pcj n GLY 179 Ca -0.31 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.19 2.19 0.18 1.61 2.47 0.22 -5.09 119.74 116.14 3pcj s LYS 180 Ca 0.06 -0.88 -0.32 0.00 -1.56 0.00 0.00 55.97 53.27 3pcj s LYS 180 Cb -0.03 -2.00 -0.11 0.00 -1.46 0.00 0.00 37.83 34.23 3pcj s LYS 180 CO 0.08 0.47 1.62 0.99 0.16 0.00 0.00 175.35 178.66 3pcj s THR 181 N -0.41 2.42 0.03 3.43 2.01 -1.26 0.12 115.64 121.98 3pcj s THR 181 Ca 0.04 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.33 3pcj s THR 181 Cb -0.11 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3pcj s THR 181 CO 0.01 0.02 0.01 0.00 -0.69 0.00 0.00 174.62 173.97 3pcj s ALA 182 N 1.13 0.14 -0.03 7.40 0.00 -0.20 -0.99 121.76 129.21 3pcj s ALA 182 Ca 0.71 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3pcj s ALA 182 Cb -0.46 0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3pcj s ALA 182 CO 0.32 -0.24 -0.01 0.71 0.00 0.00 0.00 175.76 176.54 3pcj s TYR 183 N -2.23 0.41 -0.19 0.00 1.51 -0.39 0.14 117.35 116.59 3pcj s TYR 183 Ca -0.09 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.83 3pcj s TYR 183 Cb -0.04 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 3pcj s TYR 183 CO -0.04 -0.15 0.13 0.50 -1.11 0.00 0.00 175.55 174.89 3pcj s ARG 184 N 1.06 4.11 -0.31 -0.62 3.52 -0.84 -1.62 118.95 124.25 3pcj s ARG 184 Ca -0.09 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 3pcj s ARG 184 Cb -0.14 -3.39 0.10 0.00 -1.56 0.00 0.00 34.95 29.96 3pcj s ARG 184 CO -0.01 0.35 0.12 0.12 -0.81 0.00 0.00 175.30 175.07 3pcj s PHE 185 N 0.20 1.19 0.03 5.12 5.36 0.19 -1.67 117.98 128.40 3pcj s PHE 185 Ca 0.09 -1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 54.43 3pcj s PHE 185 Cb -0.11 -1.40 -0.06 0.00 -0.34 0.00 0.00 43.02 41.10 3pcj s PHE 185 CO -0.01 -0.86 0.48 -0.51 -1.46 0.00 0.00 175.22 172.86 3pcj s ASP 186 N 1.71 6.92 -0.19 6.13 1.01 -1.26 -3.89 116.67 127.10 3pcj s ASP 186 Ca 0.10 1.09 -0.03 0.00 0.71 0.00 0.00 52.55 54.42 3pcj s ASP 186 Cb -0.17 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3pcj s ASP 186 CO -0.27 0.29 -0.05 -0.63 0.21 0.00 0.00 175.17 174.71 3pcj s ILE 187 N -1.03 3.42 -0.33 0.77 1.01 -0.00 -4.95 121.20 120.10 3pcj s ILE 187 Ca 0.26 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3pcj s ILE 187 Cb -0.18 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.80 3pcj s ILE 187 CO 0.16 0.45 0.09 -0.13 0.00 0.00 0.00 174.94 175.50 3pcj s ARG 188 N 1.09 2.62 0.21 2.79 0.52 -1.26 0.05 118.95 124.96 3pcj s ARG 188 Ca 0.01 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.03 3pcj s ARG 188 Cb -0.15 -3.41 0.17 0.00 0.52 0.00 0.00 34.95 32.09 3pcj s ARG 188 CO -0.00 -0.64 1.54 0.82 0.02 0.00 0.00 175.30 177.04 3pcj h ILE 189 N 6.20 1.32 -3.44 1.52 2.04 -1.60 0.58 117.51 124.14 3pcj h ILE 189 Ca -0.23 -1.73 -0.15 0.00 1.00 0.00 0.00 64.86 63.74 3pcj h ILE 189 Cb 1.08 1.72 -0.22 0.00 -0.74 0.00 0.00 36.82 38.66 3pcj h ILE 189 CO 0.59 0.54 -0.49 -1.58 0.00 0.00 0.00 178.15 177.21 3pcj s GLN 190 N -4.06 0.42 1.45 2.37 0.74 -1.26 -4.75 119.66 114.57 3pcj s GLN 190 Ca -0.07 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.12 3pcj s GLN 190 Cb 0.12 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.41 3pcj s GLN 190 CO 0.83 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.88 3pcj n GLY 191 N 1.85 0.81 3.64 2.59 0.00 -1.26 -4.21 105.19 108.61 3pcj n GLY 191 Ca -0.20 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3pcj n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 192 N 0.00 3.88 -0.53 1.61 2.12 -1.26 -1.89 118.70 122.63 3pcj s GLU 192 Ca 0.00 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.49 3pcj s GLU 192 Cb 0.00 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.27 3pcj s GLU 192 CO 0.00 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 3pcj n GLY 193 N 4.69 0.74 3.63 -1.50 0.00 -1.26 -4.96 105.19 106.52 3pcj n GLY 193 Ca 0.21 -0.83 -0.49 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.79 1.66 -2.22 1.61 2.13 -0.79 -4.66 120.64 115.58 3pcj n GLU 194 Ca -0.05 0.60 -0.37 0.00 0.66 0.00 0.00 57.16 58.00 3pcj n GLU 194 Cb 0.18 -2.31 -0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 0.70 3.04 0.08 6.31 2.01 0.20 -4.95 115.64 123.02 3pcj s THR 195 Ca 0.81 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 63.25 3pcj s THR 195 Cb -0.81 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 3pcj s THR 195 CO 0.42 -0.04 1.33 -0.69 -0.69 0.00 0.00 174.62 174.95 3pcj s VAL 196 N -1.57 3.60 -0.01 3.82 1.01 -1.26 -4.97 120.40 121.02 3pcj s VAL 196 Ca 0.66 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.86 3pcj s VAL 196 Cb -0.28 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3pcj s VAL 196 CO 0.34 0.08 -0.25 -0.36 0.00 0.00 0.00 175.10 174.90 3pcj s PHE 197 N 1.26 2.26 0.33 5.22 0.08 -1.26 -4.61 117.98 121.24 3pcj s PHE 197 Ca 0.62 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 57.33 3pcj s PHE 197 Cb -0.34 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3pcj s PHE 197 CO 0.29 -0.02 0.23 -0.06 -0.10 0.00 0.00 175.22 175.57 3pcj s PHE 198 N -0.62 2.87 -0.06 0.36 0.08 0.95 -4.99 117.98 116.57 3pcj s PHE 198 Ca 0.10 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3pcj s PHE 198 Cb -0.10 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3pcj s PHE 198 CO -0.01 0.27 -0.05 0.34 -0.10 0.00 0.00 175.22 175.67 3pcj s ASP 199 N -3.93 1.41 0.00 1.36 2.15 -1.26 -4.25 116.67 112.15 3pcj s ASP 199 Ca 0.39 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.19 3pcj s ASP 199 Cb -0.05 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 3pcj s ASP 199 CO 0.25 -0.08 0.00 2.22 -0.17 0.00 0.00 175.17 177.40