#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 3.85 -0.11 4.25 -1.09 -1.26 -5.03 121.20 121.81 3pcj s ILE 2 Ca 0.00 1.49 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 3pcj s ILE 2 Cb 0.00 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3pcj s ILE 2 CO 0.00 0.21 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.14 3pcj s GLU 3 N 0.12 2.42 0.44 2.79 0.41 -1.26 -5.14 118.70 118.48 3pcj s GLU 3 Ca 0.53 -0.64 -0.05 0.00 -0.41 0.00 0.00 54.97 54.41 3pcj s GLU 3 Cb -0.30 -2.01 0.10 0.00 -1.78 0.00 0.00 34.13 30.13 3pcj s GLU 3 CO 0.34 -0.04 0.60 1.28 -0.49 0.00 0.00 175.26 176.95 3pcj n LEU 4 N 4.14 0.00 -4.78 1.80 4.32 -1.26 -5.04 117.00 116.18 3pcj n LEU 4 Ca -0.19 -0.90 -0.37 0.00 -0.02 0.00 0.00 56.01 54.53 3pcj n LEU 4 Cb 0.51 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 3pcj n LEU 4 CO 0.25 -0.88 0.75 -0.76 -1.22 0.00 0.00 177.39 175.53 3pcj s LEU 5 N 0.00 4.20 0.32 2.23 1.43 -1.26 -4.99 118.68 120.61 3pcj s LEU 5 Ca 0.36 2.09 -0.28 0.00 -1.03 0.00 0.00 54.13 55.27 3pcj s LEU 5 Cb -0.01 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 3pcj s LEU 5 CO 0.25 -0.46 1.10 -2.16 0.23 0.00 0.00 176.35 175.31 3pcj s PRO 6 N -2.34 4.47 0.45 1.29 0.04 -1.26 -5.01 135.00 132.64 3pcj s PRO 6 Ca 0.56 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 63.13 3pcj s PRO 6 Cb -0.24 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 3pcj s PRO 6 CO 0.30 0.08 1.08 -2.00 0.04 0.00 0.00 177.00 176.50 3pcj s GLU 7 N -1.76 3.89 0.19 4.56 2.12 -1.26 -4.93 118.70 121.50 3pcj s GLU 7 Ca 0.49 1.53 -0.32 0.00 0.36 0.00 0.00 54.97 57.03 3pcj s GLU 7 Cb -0.30 -2.33 -0.11 0.00 0.26 0.00 0.00 34.13 31.65 3pcj s GLU 7 CO 0.38 -0.39 1.72 0.99 -0.54 0.00 0.00 175.26 177.43 3pcj s THR 8 N -1.74 2.20 0.41 -1.70 2.01 -1.26 -4.93 115.64 110.63 3pcj s THR 8 Ca 0.63 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 3pcj s THR 8 Cb -0.22 -3.06 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3pcj s THR 8 CO 0.27 0.01 1.45 -2.84 -0.69 0.00 0.00 174.62 172.82 3pcj s PRO 9 N 1.45 3.94 0.51 4.92 0.02 -1.26 -5.01 135.00 139.58 3pcj s PRO 9 Ca 0.75 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 64.08 3pcj s PRO 9 Cb -0.48 -2.84 -0.07 0.00 0.02 0.00 0.00 34.50 31.12 3pcj s PRO 9 CO 0.33 -0.64 1.02 0.45 -0.33 0.00 0.00 177.00 177.83 3pcj s SER 10 N -0.31 6.31 0.05 2.53 0.15 -1.26 -5.08 113.70 116.09 3pcj s SER 10 Ca 0.56 1.81 0.02 0.00 0.70 0.00 0.00 55.95 59.04 3pcj s SER 10 Cb -0.45 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.29 3pcj s SER 10 CO 0.60 -0.80 -0.07 -1.10 1.20 0.00 0.00 173.24 173.07 3pcj s GLN 11 N -3.58 0.57 0.77 5.44 -1.52 -1.20 -4.87 119.66 115.27 3pcj s GLN 11 Ca 0.64 -0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 53.03 3pcj s GLN 11 Cb -0.14 -0.21 0.04 0.00 -0.22 0.00 0.00 33.01 32.48 3pcj s GLN 11 CO 0.25 0.02 1.07 -2.37 -0.25 0.00 0.00 175.29 174.01 3pcj n THR 12 N 1.13 2.44 0.19 -0.19 5.66 -1.22 -4.78 114.28 117.50 3pcj n THR 12 Ca -0.20 -0.29 0.06 0.00 -3.05 0.00 0.00 64.05 60.57 3pcj n THR 12 Cb 0.56 -1.14 0.34 0.00 -1.55 0.00 0.00 70.33 68.54 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 -0.58 0.97 0.00 1.79 0.00 -1.73 -3.50 119.26 116.22 3pcj h ALA 13 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3pcj h ALA 13 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3pcj h ALA 13 CO 0.46 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.56 3pcj n GLY 14 N 0.30 -1.03 0.16 0.00 0.00 -1.26 -3.99 105.19 99.37 3pcj n GLY 14 Ca 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.65 1.61 0.13 -1.93 -3.23 132.00 127.93 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 0.47 0.00 0.66 -0.23 0.00 0.00 178.00 178.90 3pcj n TYR 16 N -3.40 1.63 -0.22 1.56 4.01 -1.26 -4.50 117.16 114.98 3pcj n TYR 16 Ca 0.01 -0.58 0.30 0.00 -0.16 0.00 0.00 57.90 57.47 3pcj n TYR 16 Cb 0.62 -0.39 0.72 0.00 -0.31 0.00 0.00 39.34 39.98 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 3.33 0.52 -0.95 -0.72 3.04 -1.68 -1.94 116.25 117.85 3pcj h VAL 17 Ca 0.00 -0.01 0.11 0.00 -1.01 0.00 0.00 66.70 65.79 3pcj h VAL 17 Cb 1.63 0.50 -0.07 0.00 -2.01 0.00 0.00 31.29 31.33 3pcj h VAL 17 CO 0.36 0.00 0.61 0.45 -1.01 0.00 0.00 177.57 177.99 3pcj h HIS 18 N 0.02 1.05 0.00 3.17 3.86 -1.86 -1.67 115.15 119.72 3pcj h HIS 18 Ca 0.46 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.70 3pcj h HIS 18 Cb 1.82 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.95 3pcj h HIS 18 CO -0.00 0.45 -0.01 -0.84 0.86 0.00 0.00 177.93 178.39 3pcj h ILE 19 N 0.94 0.95 0.07 2.45 3.07 -1.58 0.27 117.51 123.67 3pcj h ILE 19 Ca 0.45 -0.04 -0.37 0.00 1.55 0.00 0.00 64.86 66.46 3pcj h ILE 19 Cb 0.45 1.02 -0.04 0.00 -0.27 0.00 0.00 36.82 37.98 3pcj h ILE 19 CO -0.22 0.01 -2.18 0.61 -1.05 0.00 0.00 178.15 175.33 3pcj n GLY 20 N -1.48 -0.53 0.14 0.16 0.00 -0.69 -4.53 105.19 98.26 3pcj n GLY 20 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 1.97 -2.71 0.99 4.77 -0.83 -4.82 117.00 113.04 3pcj n LEU 21 Ca -0.36 -1.76 -0.07 0.00 -0.03 0.00 0.00 56.01 53.80 3pcj n LEU 21 Cb 1.03 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 42.17 3pcj n LEU 21 CO 0.37 0.49 0.45 0.00 -1.33 0.00 0.00 177.39 177.36 3pcj n ALA 22 N -0.16 -1.98 -0.19 -1.18 0.00 0.89 -4.98 120.51 112.91 3pcj n ALA 22 Ca 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 53.44 52.44 3pcj n ALA 22 Cb 0.24 -2.03 0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 3.04 -0.84 -0.15 0.00 4.07 -1.67 -1.37 115.31 118.40 3pcj h LEU 23 Ca -0.19 0.20 0.02 0.00 0.08 0.00 0.00 57.88 58.00 3pcj h LEU 23 Cb 1.13 0.46 -0.05 0.00 1.08 0.00 0.00 40.66 43.29 3pcj h LEU 23 CO 0.09 -0.26 -0.39 -0.08 -1.08 0.00 0.00 178.44 176.72 3pcj h GLU 24 N -0.09 -0.37 -0.75 1.13 4.81 -1.87 -1.27 114.58 116.17 3pcj h GLU 24 Ca 0.26 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.69 3pcj h GLU 24 Cb 0.50 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.85 3pcj h GLU 24 CO -0.64 -0.25 0.12 0.00 -0.73 0.00 0.00 179.01 177.51 3pcj h ALA 25 N -0.57 0.91 -0.21 2.92 0.00 -1.69 1.31 119.26 121.93 3pcj h ALA 25 Ca 0.03 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3pcj h ALA 25 Cb 0.47 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3pcj h ALA 25 CO -0.34 -0.39 0.30 0.00 0.00 0.00 0.00 179.25 178.82 3pcj h ALA 26 N 1.66 1.77 -0.37 0.00 0.00 -0.33 -3.44 119.26 118.55 3pcj h ALA 26 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3pcj h ALA 26 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3pcj h ALA 26 CO -0.58 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 178.68 3pcj n GLY 27 N -1.38 0.88 3.40 0.00 0.00 0.45 -4.99 105.19 103.55 3pcj n GLY 27 Ca 0.03 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.75 3.35 0.41 1.61 0.01 -0.57 -5.04 114.94 111.97 3pcj s ASN 28 Ca 0.00 -0.80 -0.25 0.00 -0.71 0.00 0.00 52.86 51.10 3pcj s ASN 28 Cb 0.00 -0.23 -0.10 0.00 0.41 0.00 0.00 41.25 41.32 3pcj s ASN 28 CO 0.00 0.15 1.12 -0.81 -1.51 0.00 0.00 177.10 176.04 3pcj n PRO 29 N 0.61 1.58 -3.29 -0.60 -0.04 -1.26 -3.64 135.00 128.35 3pcj n PRO 29 Ca -0.15 0.56 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 3pcj n PRO 29 Cb 0.54 -2.17 0.05 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.23 1.86 0.56 0.52 -4.23 -1.26 -4.83 115.64 107.02 3pcj s THR 30 Ca 0.62 -1.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.06 3pcj s THR 30 Cb -0.55 -2.00 0.06 0.00 1.34 0.00 0.00 72.50 71.36 3pcj s THR 30 CO 0.57 0.00 0.61 -0.13 -0.54 0.00 0.00 174.62 175.14 3pcj s ARG 31 N -4.60 2.28 0.11 3.99 0.52 -1.26 -5.03 118.95 114.96 3pcj s ARG 31 Ca 0.54 -1.81 -0.33 0.00 -0.52 0.00 0.00 55.73 53.61 3pcj s ARG 31 Cb -0.04 -2.40 -0.13 0.00 0.52 0.00 0.00 34.95 32.91 3pcj s ARG 31 CO 0.34 -0.75 1.53 -0.44 0.02 0.00 0.00 175.30 176.01 3pcj h ASP 32 N 0.44 -1.67 -3.30 0.23 3.32 -2.07 -3.39 116.42 109.99 3pcj h ASP 32 Ca -0.33 0.20 -0.63 0.00 0.02 0.00 0.00 57.03 56.29 3pcj h ASP 32 Cb 1.29 0.65 -0.19 0.00 0.22 0.00 0.00 39.33 41.30 3pcj h ASP 32 CO 0.48 -0.47 -0.63 -1.10 -1.72 0.00 0.00 179.24 175.80 3pcj s GLN 33 N -5.61 3.74 0.00 3.56 -0.21 -1.26 -5.09 119.66 114.80 3pcj s GLN 33 Ca -0.15 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 54.79 3pcj s GLN 33 Cb 0.07 -3.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.07 3pcj s GLN 33 CO 0.59 0.27 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.76 3pcj s GLU 34 N 0.30 0.47 -0.32 2.91 0.41 -1.26 -5.12 118.70 116.08 3pcj s GLU 34 Ca -0.01 -0.27 -0.18 0.00 -0.41 0.00 0.00 54.97 54.09 3pcj s GLU 34 Cb -0.13 -0.42 -0.01 0.00 -1.78 0.00 0.00 34.13 31.78 3pcj s GLU 34 CO 0.02 0.11 0.53 0.42 -0.49 0.00 0.00 175.26 175.85 3pcj s ILE 35 N -0.29 5.02 0.00 -1.63 1.01 -1.26 -5.03 121.20 119.01 3pcj s ILE 35 Ca 0.01 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3pcj s ILE 35 Cb -0.03 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3pcj s ILE 35 CO -0.00 -0.13 0.00 1.87 0.00 0.00 0.00 174.94 176.68 3pcj n TRP 36 N 5.72 0.00 1.62 3.97 -0.00 -1.26 -4.55 117.44 122.94 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 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.82 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 -1.43 0.50 -4.22 5.87 6.94 0.25 -1.76 115.26 121.40 3pcj n ASN 37 Ca 0.00 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.13 3pcj n ASN 37 Cb 0.00 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.74 2.85 0.13 -3.83 3.52 -1.26 -0.64 118.95 117.97 3pcj s ARG 38 Ca 0.03 -2.16 0.03 0.00 -0.13 0.00 0.00 55.73 53.50 3pcj s ARG 38 Cb 0.02 -4.04 -0.15 0.00 -1.56 0.00 0.00 34.95 29.22 3pcj s ARG 38 CO 0.02 -1.23 1.29 -0.07 -0.81 0.00 0.00 175.30 174.50 3pcj h LEU 39 N 7.92 0.16 -8.68 -0.88 4.07 0.40 -3.47 115.31 114.83 3pcj h LEU 39 Ca -0.08 -0.16 -0.68 0.00 0.08 0.00 0.00 57.88 57.05 3pcj h LEU 39 Cb 1.03 -0.05 -0.27 0.00 1.08 0.00 0.00 40.66 42.45 3pcj h LEU 39 CO 0.80 1.07 -0.88 0.00 -1.08 0.00 0.00 178.44 178.36 3pcj s ALA 40 N -2.86 2.15 0.09 1.53 0.00 -1.21 0.11 121.76 121.56 3pcj s ALA 40 Ca -0.01 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 3pcj s ALA 40 Cb 0.09 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 3pcj s ALA 40 CO 0.83 0.51 0.52 0.15 0.00 0.00 0.00 175.76 177.78 3pcj s LYS 41 N -1.12 4.05 0.40 0.00 1.02 1.13 -4.84 119.74 120.37 3pcj s LYS 41 Ca 0.11 0.56 0.31 0.00 0.02 0.00 0.00 55.97 56.96 3pcj s LYS 41 Cb -0.10 -3.11 1.36 0.00 -0.52 0.00 0.00 37.83 35.46 3pcj s LYS 41 CO 0.02 0.59 1.40 -2.30 -0.92 0.00 0.00 175.35 174.13 3pcj n PRO 42 N 1.37 -0.03 -0.68 -1.68 -0.02 -1.26 0.49 135.00 133.19 3pcj n PRO 42 Ca -0.09 1.11 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3pcj n PRO 42 Cb 0.51 -2.22 0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 -4.42 3.50 -4.84 2.55 5.75 -1.26 -4.87 116.55 112.95 3pcj n ASP 43 Ca 0.36 -2.89 -0.36 0.00 -0.01 0.00 0.00 54.79 51.89 3pcj n ASP 43 Cb 1.44 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 40.77 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 -1.81 3.75 0.76 2.12 0.00 0.18 -5.02 121.76 121.74 3pcj s ALA 44 Ca 0.31 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 3pcj s ALA 44 Cb 0.26 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.58 3pcj s ALA 44 CO 0.06 0.62 1.21 -1.25 0.00 0.00 0.00 175.76 176.40 3pcj s PRO 45 N -1.03 1.90 0.00 0.00 0.04 -1.26 -4.89 135.00 129.76 3pcj s PRO 45 Ca 0.15 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3pcj s PRO 45 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3pcj s PRO 45 CO 0.04 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.47 3pcj n GLY 46 N 0.48 1.13 3.58 0.56 0.00 -1.26 -4.62 105.19 105.07 3pcj n GLY 46 Ca 0.14 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.72 3.58 0.23 1.61 2.12 -1.26 -4.94 118.70 118.32 3pcj s GLU 47 Ca 0.00 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 3pcj s GLU 47 Cb 0.00 -3.96 -0.09 0.00 0.26 0.00 0.00 34.13 30.34 3pcj s GLU 47 CO 0.00 -1.47 1.27 -1.01 -0.54 0.00 0.00 175.26 173.51 3pcj s HIS 48 N 4.46 3.28 0.12 5.30 3.76 -1.26 -1.49 115.29 129.46 3pcj s HIS 48 Ca 0.43 1.34 -0.01 0.00 -0.15 0.00 0.00 55.06 56.66 3pcj s HIS 48 Cb -0.08 -3.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.01 3pcj s HIS 48 CO 0.28 -1.64 0.05 0.96 -0.85 0.00 0.00 174.74 173.53 3pcj s ILE 49 N -0.29 0.12 -0.14 0.60 -4.36 0.27 -4.69 121.20 112.72 3pcj s ILE 49 Ca 0.53 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 3pcj s ILE 49 Cb -0.36 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 3pcj s ILE 49 CO 0.41 -0.54 -0.16 -0.22 0.24 0.00 0.00 174.94 174.67 3pcj s LEU 50 N -3.03 2.50 -0.02 0.37 2.96 0.00 -2.67 118.68 118.79 3pcj s LEU 50 Ca 0.21 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3pcj s LEU 50 Cb 0.07 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3pcj s LEU 50 CO 0.00 0.13 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.30 3pcj s LEU 51 N 0.55 2.99 0.13 -0.68 1.43 -0.75 -0.81 118.68 121.54 3pcj s LEU 51 Ca -0.10 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 3pcj s LEU 51 Cb -0.16 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3pcj s LEU 51 CO 0.04 0.32 0.41 -1.48 0.23 0.00 0.00 176.35 175.86 3pcj s LEU 52 N -1.09 0.39 0.00 1.79 -0.00 -0.73 -0.65 118.68 118.39 3pcj s LEU 52 Ca 0.14 -0.34 0.00 0.00 -0.00 0.00 0.00 54.13 53.93 3pcj s LEU 52 Cb -0.11 1.85 0.00 0.00 -0.00 0.00 0.00 46.19 47.93 3pcj s LEU 52 CO 0.04 -0.87 0.00 0.61 -0.00 0.00 0.00 176.35 176.13 3pcj n GLY 53 N -0.23 0.41 3.58 -3.48 0.00 -1.02 0.15 105.19 104.59 3pcj n GLY 53 Ca -0.15 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 1.88 -0.04 1.61 -0.21 -1.25 -1.06 119.66 118.60 3pcj s GLN 54 Ca 0.00 -2.05 0.03 0.00 0.02 0.00 0.00 55.36 53.36 3pcj s GLN 54 Cb 0.00 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.53 3pcj s GLN 54 CO 0.00 -0.06 -0.13 0.08 -2.12 0.00 0.00 175.29 173.06 3pcj s VAL 55 N -2.82 1.14 0.09 1.09 1.01 -1.26 -1.40 120.40 118.26 3pcj s VAL 55 Ca 0.35 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3pcj s VAL 55 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3pcj s VAL 55 CO 0.17 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 175.10 3pcj s TYR 56 N 0.20 2.47 0.76 5.22 1.51 -0.47 -0.62 117.35 126.41 3pcj s TYR 56 Ca -0.05 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3pcj s TYR 56 Cb -0.11 -1.36 0.14 0.00 -0.11 0.00 0.00 41.96 40.52 3pcj s TYR 56 CO 0.02 0.32 1.04 0.16 -1.11 0.00 0.00 175.55 175.98 3pcj s ASP 57 N -1.87 4.15 0.38 2.29 1.47 0.34 -2.06 116.67 121.37 3pcj s ASP 57 Ca 0.16 -0.33 0.26 0.00 1.18 0.00 0.00 52.55 53.81 3pcj s ASP 57 Cb -0.10 0.03 1.38 0.00 -0.34 0.00 0.00 42.92 43.88 3pcj s ASP 57 CO 0.07 -2.00 1.79 1.23 0.68 0.00 0.00 175.17 176.94 3pcj h GLY 58 N -0.68 0.00 -0.29 2.12 0.00 -1.89 -1.34 103.07 100.99 3pcj h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pcj h GLY 58 CO 0.39 0.00 -0.35 0.70 0.00 0.00 0.00 176.54 177.28 3pcj n ASN 59 N -2.40 1.46 0.00 0.19 3.02 -1.26 -4.75 115.26 111.51 3pcj n ASN 59 Ca -0.01 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3pcj n ASN 59 Cb 0.06 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.37 0.76 3.85 7.41 0.00 -0.50 -5.06 105.19 113.01 3pcj n GLY 60 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 3.59 0.35 1.61 3.76 -1.26 -4.78 115.29 116.41 3pcj s HIS 61 Ca 0.00 1.02 -0.28 0.00 -0.15 0.00 0.00 55.06 55.65 3pcj s HIS 61 Cb 0.00 -2.34 -0.10 0.00 1.11 0.00 0.00 32.58 31.25 3pcj s HIS 61 CO 0.00 0.43 1.30 -0.51 -0.85 0.00 0.00 174.74 175.10 3pcj s LEU 62 N -2.02 4.37 -0.48 0.89 1.43 -1.26 -0.50 118.68 121.11 3pcj s LEU 62 Ca 0.38 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.98 3pcj s LEU 62 Cb -0.15 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.42 3pcj s LEU 62 CO 0.19 -0.61 0.44 -0.69 0.23 0.00 0.00 176.35 175.91 3pcj s VAL 63 N -1.18 5.17 -2.25 -1.59 1.01 0.20 -4.86 120.40 116.90 3pcj s VAL 63 Ca 0.51 -0.96 0.20 0.00 0.00 0.00 0.00 61.98 61.72 3pcj s VAL 63 Cb -0.39 -4.16 0.44 0.00 0.00 0.00 0.00 36.38 32.27 3pcj s VAL 63 CO 0.51 -0.62 1.45 0.54 0.00 0.00 0.00 175.10 176.98 3pcj n ARG 64 N 5.38 2.08 -0.19 2.72 1.74 -1.26 -4.16 116.66 122.96 3pcj n ARG 64 Ca -0.11 -1.64 0.08 0.00 -0.77 0.00 0.00 57.85 55.41 3pcj n ARG 64 Cb 0.44 -1.42 0.12 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 0.85 1.90 -4.84 0.55 5.68 -1.26 -4.15 116.55 115.28 3pcj n ASP 65 Ca 0.17 -2.94 -0.33 0.00 -0.50 0.00 0.00 54.79 51.19 3pcj n ASP 65 Cb 0.43 -0.40 -0.06 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 -2.58 6.85 -0.05 -1.12 1.04 -1.26 -4.56 113.70 112.02 3pcj s SER 66 Ca 0.27 1.42 0.03 0.00 0.48 0.00 0.00 55.95 58.15 3pcj s SER 66 Cb 0.24 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3pcj s SER 66 CO 0.02 -0.23 -0.15 0.12 0.98 0.00 0.00 173.24 173.97 3pcj s PHE 67 N -2.01 1.61 0.13 5.02 5.36 0.78 -2.46 117.98 126.41 3pcj s PHE 67 Ca 0.56 -0.52 0.09 0.00 -0.96 0.00 0.00 56.93 56.09 3pcj s PHE 67 Cb -0.10 -1.12 -0.04 0.00 -0.34 0.00 0.00 43.02 41.42 3pcj s PHE 67 CO 0.16 -0.22 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.98 3pcj s LEU 68 N 0.30 2.34 -0.01 6.12 1.02 -0.35 0.28 118.68 128.38 3pcj s LEU 68 Ca -0.09 -0.75 0.05 0.00 0.02 0.00 0.00 54.13 53.36 3pcj s LEU 68 Cb -0.13 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.13 3pcj s LEU 68 CO 0.03 0.06 -0.15 -1.61 0.02 0.00 0.00 176.35 174.70 3pcj s GLU 69 N -2.19 1.25 0.13 1.70 2.02 -0.76 -1.58 118.70 119.28 3pcj s GLU 69 Ca 0.11 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 54.64 3pcj s GLU 69 Cb -0.09 -1.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 3pcj s GLU 69 CO 0.05 0.31 -0.18 0.14 0.02 0.00 0.00 175.26 175.60 3pcj s VAL 70 N -0.30 1.65 -0.17 2.63 -7.23 -0.45 -2.03 120.40 114.50 3pcj s VAL 70 Ca 0.05 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 3pcj s VAL 70 Cb -0.06 -1.62 0.08 0.00 0.56 0.00 0.00 36.38 35.34 3pcj s VAL 70 CO -0.00 -0.22 0.27 0.86 -0.31 0.00 0.00 175.10 175.69 3pcj s TRP 71 N -1.63 -0.43 0.17 2.82 -0.11 -0.29 -2.27 118.94 117.19 3pcj s TRP 71 Ca 0.09 0.72 -0.03 0.00 1.22 0.00 0.00 56.10 58.10 3pcj s TRP 71 Cb -0.08 -0.13 -0.03 0.00 -1.50 0.00 0.00 33.47 31.73 3pcj s TRP 71 CO 0.05 -0.48 0.14 1.14 -4.62 0.00 0.00 176.95 173.18 3pcj s GLN 72 N 2.41 1.09 0.45 5.86 -2.07 -0.20 -1.49 119.66 125.71 3pcj s GLN 72 Ca 0.04 -1.44 -0.10 0.00 -1.82 0.00 0.00 55.36 52.04 3pcj s GLN 72 Cb -0.14 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 3pcj s GLN 72 CO -0.11 -0.35 0.82 0.00 -1.32 0.00 0.00 175.29 174.33 3pcj s ALA 73 N -4.07 3.31 1.00 2.60 0.00 -1.26 -4.54 121.76 118.80 3pcj s ALA 73 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3pcj s ALA 73 Cb 0.06 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3pcj s ALA 73 CO 0.05 -0.16 0.00 -0.40 0.00 0.00 0.00 175.76 175.25 3pcj n ASP 74 N -1.65 0.00 0.08 0.00 5.68 0.46 -4.20 116.55 116.92 3pcj n ASP 74 Ca 0.03 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.26 3pcj n ASP 74 Cb 0.54 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.48 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 -2.00 0.51 -0.02 2.12 0.00 -1.82 0.18 119.26 118.24 3pcj h ALA 75 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3pcj h ALA 75 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3pcj h ALA 75 CO 0.00 1.12 0.00 0.09 0.00 0.00 0.00 179.25 180.46 3pcj n ASN 76 N -3.45 0.16 -0.34 0.00 3.02 -1.26 -3.55 115.26 109.83 3pcj n ASN 76 Ca -0.00 -1.45 -0.04 0.00 -0.03 0.00 0.00 54.58 53.06 3pcj n ASN 76 Cb 0.86 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.82 0.47 3.42 7.41 0.00 -1.18 -4.88 105.19 111.25 3pcj n GLY 77 Ca 0.14 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.14 2.00 -0.31 1.61 2.02 -1.26 -4.59 118.70 115.04 3pcj s GLU 78 Ca 0.00 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.77 3pcj s GLU 78 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 3pcj s GLU 78 CO 0.00 0.54 0.66 0.71 0.02 0.00 0.00 175.26 177.18 3pcj s TYR 79 N -0.87 3.21 -0.76 1.61 2.02 -1.26 -0.40 117.35 120.89 3pcj s TYR 79 Ca 0.13 0.62 -0.19 0.00 -0.37 0.00 0.00 57.07 57.26 3pcj s TYR 79 Cb -0.10 -3.04 0.11 0.00 -0.40 0.00 0.00 41.96 38.53 3pcj s TYR 79 CO 0.04 -0.50 0.95 -0.65 -1.57 0.00 0.00 175.55 173.82 3pcj s GLN 80 N 2.68 3.33 0.29 -0.62 -1.52 -1.26 -4.84 119.66 117.71 3pcj s GLN 80 Ca 0.26 -1.45 0.21 0.00 -1.95 0.00 0.00 55.36 52.44 3pcj s GLN 80 Cb -0.15 -4.53 0.12 0.00 -0.22 0.00 0.00 33.01 28.23 3pcj s GLN 80 CO 0.12 -1.69 1.28 0.38 -0.25 0.00 0.00 175.29 175.13 3pcj h ASP 81 N 9.05 0.00 -1.94 5.90 2.03 -1.97 -3.18 116.42 126.30 3pcj h ASP 81 Ca -0.08 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.69 3pcj h ASP 81 Cb 1.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 3pcj h ASP 81 CO 1.10 0.14 1.18 0.00 -1.03 0.00 0.00 179.24 180.63 3pcj s ALA 82 N -3.20 2.57 -0.21 4.15 0.00 -1.26 -4.94 121.76 118.86 3pcj s ALA 82 Ca 0.03 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3pcj s ALA 82 Cb 0.07 -4.34 -0.00 0.00 0.00 0.00 0.00 23.12 18.85 3pcj s ALA 82 CO 0.74 -3.57 1.18 -0.47 0.00 0.00 0.00 175.76 173.64 3pcj s TYR 83 N 6.49 3.02 -0.12 0.00 5.04 -1.26 -4.99 117.35 125.52 3pcj s TYR 83 Ca 0.45 1.16 -0.10 0.00 -2.44 0.00 0.00 57.07 56.14 3pcj s TYR 83 Cb -0.07 -3.48 0.03 0.00 0.35 0.00 0.00 41.96 38.79 3pcj s TYR 83 CO 0.10 -1.22 0.32 1.21 -1.34 0.00 0.00 175.55 174.61 3pcj s ASN 84 N 1.78 -0.34 0.42 4.32 3.84 -1.26 -5.04 114.94 118.66 3pcj s ASN 84 Ca 0.51 0.64 0.15 0.00 0.21 0.00 0.00 52.86 54.37 3pcj s ASN 84 Cb -0.18 0.63 0.93 0.00 -0.55 0.00 0.00 41.25 42.07 3pcj s ASN 84 CO 0.13 -0.12 1.93 -0.07 -2.79 0.00 0.00 177.10 176.17 3pcj h LEU 85 N 5.95 0.00 -1.06 3.21 3.38 -1.97 -2.55 115.31 122.27 3pcj h LEU 85 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3pcj h LEU 85 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3pcj h LEU 85 CO 0.31 0.25 -0.42 -0.33 0.09 0.00 0.00 178.44 178.35 3pcj h GLU 86 N 0.00 0.10 -6.74 1.13 5.08 -2.00 -3.45 114.58 108.70 3pcj h GLU 86 Ca -0.00 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.75 3pcj h GLU 86 Cb 0.46 -0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.90 3pcj h GLU 86 CO 0.03 0.51 -0.30 0.09 -1.00 0.00 0.00 179.01 178.34 3pcj n ASN 87 N -4.03 -0.91 0.10 1.42 3.02 -0.96 -4.87 115.26 109.03 3pcj n ASN 87 Ca -0.02 0.58 -0.02 0.00 -0.03 0.00 0.00 54.58 55.10 3pcj n ASN 87 Cb 0.46 -1.26 -0.04 0.00 -0.61 0.00 0.00 39.78 38.33 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 -0.48 0.54 -3.12 5.41 0.00 -1.88 -3.44 119.26 116.30 3pcj h ALA 88 Ca -0.46 -0.68 -0.19 0.00 0.00 0.00 0.00 54.91 53.58 3pcj h ALA 88 Cb 1.34 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.76 3pcj h ALA 88 CO 0.43 0.91 -0.49 0.12 0.00 0.00 0.00 179.25 180.21 3pcj s PHE 89 N -2.85 -0.27 -0.05 0.00 5.36 -1.26 0.36 117.98 119.27 3pcj s PHE 89 Ca 0.02 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 56.72 3pcj s PHE 89 Cb 0.09 0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.79 3pcj s PHE 89 CO 0.78 -0.18 -0.24 -0.80 -1.46 0.00 0.00 175.22 173.32 3pcj s ASN 90 N 0.84 3.20 0.28 6.13 0.01 0.12 -4.97 114.94 120.54 3pcj s ASN 90 Ca -0.06 -0.47 0.25 0.00 -0.71 0.00 0.00 52.86 51.88 3pcj s ASN 90 Cb -0.07 -0.80 0.90 0.00 0.41 0.00 0.00 41.25 41.68 3pcj s ASN 90 CO -0.05 0.26 1.76 0.28 -1.51 0.00 0.00 177.10 177.84 3pcj h SER 91 N 5.94 0.00 -3.60 -1.22 0.02 -1.79 -3.44 113.55 109.47 3pcj h SER 91 Ca -0.34 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.93 3pcj h SER 91 Cb 1.17 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.54 3pcj h SER 91 CO 0.48 0.00 -0.70 0.12 -1.14 0.00 0.00 176.83 175.59 3pcj s PHE 92 N -3.25 2.89 0.25 3.45 5.36 -1.26 -1.03 117.98 124.39 3pcj s PHE 92 Ca 0.07 -0.04 -0.20 0.00 -0.96 0.00 0.00 56.93 55.81 3pcj s PHE 92 Cb 0.10 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 3pcj s PHE 92 CO 0.51 0.38 0.65 0.20 -1.46 0.00 0.00 175.22 175.50 3pcj s GLY 93 N -1.43 -0.05 0.02 13.12 0.00 -0.96 -4.85 107.32 113.16 3pcj s GLY 93 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3pcj s GLY 93 CO 0.08 -0.16 -0.05 0.50 0.00 0.00 0.00 173.10 173.46 3pcj s ARG 94 N -3.91 0.40 0.20 2.90 0.52 -0.73 -1.34 118.95 116.99 3pcj s ARG 94 Ca 0.11 -0.43 -0.08 0.00 -0.52 0.00 0.00 55.73 54.82 3pcj s ARG 94 Cb -0.04 -0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.16 3pcj s ARG 94 CO 0.04 0.06 0.30 -0.08 0.02 0.00 0.00 175.30 175.64 3pcj s THR 95 N -0.74 0.03 0.17 0.02 -1.32 -0.62 -0.59 115.64 112.59 3pcj s THR 95 Ca -0.05 -1.58 -0.13 0.00 -1.21 0.00 0.00 61.69 58.72 3pcj s THR 95 Cb -0.06 -2.16 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 3pcj s THR 95 CO -0.00 -0.12 0.38 0.00 -2.21 0.00 0.00 174.62 172.67 3pcj s ALA 96 N -4.04 -0.48 -0.06 11.08 0.00 -1.26 -1.21 121.76 125.80 3pcj s ALA 96 Ca 0.25 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 3pcj s ALA 96 Cb 0.03 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 3pcj s ALA 96 CO 0.07 -0.70 0.27 0.95 0.00 0.00 0.00 175.76 176.35 3pcj s THR 97 N -3.90 5.28 0.59 0.00 -4.23 -1.03 -4.24 115.64 108.11 3pcj s THR 97 Ca 0.12 0.49 -0.20 0.00 -1.18 0.00 0.00 61.69 60.92 3pcj s THR 97 Cb 0.02 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 3pcj s THR 97 CO -0.03 0.58 1.31 0.42 -0.54 0.00 0.00 174.62 176.35 3pcj s THR 98 N -1.08 2.16 -1.90 3.99 -4.23 -1.13 -4.61 115.64 108.85 3pcj s THR 98 Ca 0.20 0.11 0.30 0.00 -1.18 0.00 0.00 61.69 61.12 3pcj s THR 98 Cb -0.14 -3.05 0.81 0.00 1.34 0.00 0.00 72.50 71.46 3pcj s THR 98 CO 0.09 -0.01 2.14 0.49 -0.54 0.00 0.00 174.62 176.79 3pcj n PHE 99 N -1.47 0.00 0.00 3.99 3.72 -1.26 -2.49 117.46 119.95 3pcj n PHE 99 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3pcj n PHE 99 Cb 0.47 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.05 0.00 0.20 4.37 5.75 -1.26 -4.80 116.55 119.76 3pcj n ASP 100 Ca 0.22 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 55.18 3pcj n ASP 100 Cb 0.13 0.00 0.79 0.00 -1.03 0.00 0.00 41.12 41.01 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 -1.68 1.76 -5.49 2.12 0.00 -2.00 -3.46 119.26 110.51 3pcj h ALA 101 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3pcj h ALA 101 Cb 0.00 0.02 0.19 0.00 0.00 0.00 0.00 17.79 17.99 3pcj h ALA 101 CO 0.00 -0.48 -0.82 0.41 0.00 0.00 0.00 179.25 178.36 3pcj n GLY 102 N -1.37 -0.84 3.32 0.00 0.00 -1.04 -4.94 105.19 100.32 3pcj n GLY 102 Ca 0.03 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.75 1.36 0.26 1.61 2.12 -1.26 -4.51 118.70 113.53 3pcj s GLU 103 Ca 0.28 -1.17 0.09 0.00 0.36 0.00 0.00 54.97 54.53 3pcj s GLU 103 Cb -0.04 -1.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.65 3pcj s GLU 103 CO 0.73 0.40 -0.02 1.67 -0.54 0.00 0.00 175.26 177.51 3pcj s TRP 104 N -1.01 2.69 0.00 5.30 1.48 -0.22 -2.82 118.94 124.36 3pcj s TRP 104 Ca 0.10 -0.22 -0.07 0.00 -1.06 0.00 0.00 56.10 54.85 3pcj s TRP 104 Cb -0.10 -1.20 -0.00 0.00 -1.16 0.00 0.00 33.47 31.01 3pcj s TRP 104 CO 0.04 0.61 0.12 0.95 -4.06 0.00 0.00 176.95 174.61 3pcj s THR 105 N -2.26 0.09 0.03 0.66 -4.23 -1.26 -2.43 115.64 106.24 3pcj s THR 105 Ca 0.31 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3pcj s THR 105 Cb -0.07 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 3pcj s THR 105 CO 0.19 -0.39 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.60 3pcj s LEU 106 N -1.39 2.25 -0.22 4.79 2.96 0.18 -4.81 118.68 122.44 3pcj s LEU 106 Ca -0.15 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3pcj s LEU 106 Cb -0.08 -0.07 0.05 0.00 0.50 0.00 0.00 46.19 46.60 3pcj s LEU 106 CO 0.01 -0.24 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.72 3pcj s HIS 107 N -1.40 2.54 0.00 5.38 3.76 0.18 -1.81 115.29 123.94 3pcj s HIS 107 Ca -0.12 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.02 3pcj s HIS 107 Cb -0.10 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.93 3pcj s HIS 107 CO -0.00 -0.78 0.00 -2.37 -0.85 0.00 0.00 174.74 170.74 3pcj n THR 108 N 4.64 0.00 -4.42 1.30 5.66 -1.09 0.10 114.28 120.47 3pcj n THR 108 Ca -0.14 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.60 3pcj n THR 108 Cb 0.45 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.55 2.00 0.07 1.08 -7.23 -1.26 -0.57 120.40 111.94 3pcj s VAL 109 Ca 0.00 -1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 3pcj s VAL 109 Cb 0.00 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 3pcj s VAL 109 CO 0.00 0.07 1.77 -0.75 -0.31 0.00 0.00 175.10 175.89 3pcj s LYS 110 N -1.85 4.16 0.51 4.82 2.20 -0.55 -4.88 119.74 124.15 3pcj s LYS 110 Ca 0.10 2.46 -0.21 0.00 -0.36 0.00 0.00 55.97 57.96 3pcj s LYS 110 Cb -0.10 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 3pcj s LYS 110 CO 0.05 -0.82 1.20 -1.25 -0.36 0.00 0.00 175.35 174.16 3pcj s PRO 111 N 3.15 3.45 0.75 4.03 0.04 -1.26 -4.32 135.00 140.84 3pcj s PRO 111 Ca 0.79 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.61 3pcj s PRO 111 Cb -0.42 -2.23 0.11 0.00 0.04 0.00 0.00 34.50 32.00 3pcj s PRO 111 CO 0.35 -0.83 1.06 0.20 0.04 0.00 0.00 177.00 177.82 3pcj s GLY 112 N -1.40 1.74 0.24 0.56 0.00 0.63 -4.73 107.32 104.36 3pcj s GLY 112 Ca 0.69 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 3pcj s GLY 112 CO 0.35 -0.74 1.12 0.14 0.00 0.00 0.00 173.10 173.98 3pcj s VAL 113 N -3.32 3.57 0.12 1.40 1.01 -1.26 -4.45 120.40 117.48 3pcj s VAL 113 Ca 0.65 1.47 0.07 0.00 0.00 0.00 0.00 61.98 64.16 3pcj s VAL 113 Cb -0.08 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3pcj s VAL 113 CO 0.46 0.30 -0.16 0.68 0.00 0.00 0.00 175.10 176.39 3pcj s VAL 114 N -0.71 1.44 0.37 2.92 -7.23 -1.26 -4.58 120.40 111.35 3pcj s VAL 114 Ca 0.47 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3pcj s VAL 114 Cb -0.32 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3pcj s VAL 114 CO 0.39 -0.34 0.58 0.20 -0.31 0.00 0.00 175.10 175.62 3pcj s ASN 115 N -2.36 6.25 0.87 4.85 0.01 -1.26 -1.44 114.94 121.85 3pcj s ASN 115 Ca 0.09 0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 52.66 3pcj s ASN 115 Cb -0.06 -2.01 0.10 0.00 0.41 0.00 0.00 41.25 39.70 3pcj s ASN 115 CO 0.04 -0.36 0.64 -0.46 -1.51 0.00 0.00 177.10 175.44 3pcj n ASN 116 N -1.86 0.25 0.05 -1.22 6.94 0.25 -4.86 115.26 114.80 3pcj n ASN 116 Ca -0.04 -1.35 0.02 0.00 -0.02 0.00 0.00 54.58 53.19 3pcj n ASN 116 Cb 0.56 -0.47 0.38 0.00 -2.36 0.00 0.00 39.78 37.90 3pcj n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pcj h ALA 117 N -1.48 1.55 -0.06 -2.53 0.00 -2.00 -1.28 119.26 113.47 3pcj h ALA 117 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3pcj h ALA 117 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3pcj h ALA 117 CO 0.17 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3pcj n ALA 118 N -2.48 2.58 -0.28 0.00 0.00 -1.26 -4.89 120.51 114.18 3pcj n ALA 118 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3pcj n ALA 118 Cb 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.92 1.32 3.73 0.00 0.00 -0.48 -5.04 105.19 105.65 3pcj n GLY 119 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.87 4.17 0.34 1.61 1.01 -1.26 -4.61 120.40 118.79 3pcj s VAL 120 Ca 0.00 1.86 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 3pcj s VAL 120 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3pcj s VAL 120 CO 0.00 0.31 1.10 -2.84 0.00 0.00 0.00 175.10 173.67 3pcj s PRO 121 N -0.25 4.38 0.01 2.72 0.02 -1.26 0.85 135.00 141.48 3pcj s PRO 121 Ca 0.48 1.73 0.01 0.00 0.02 0.00 0.00 61.00 63.24 3pcj s PRO 121 Cb -0.26 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3pcj s PRO 121 CO 0.32 -0.00 0.07 -1.64 -0.33 0.00 0.00 177.00 175.42 3pcj s MET 122 N -1.93 2.99 0.79 5.54 -1.94 -0.52 -4.47 119.30 119.76 3pcj s MET 122 Ca 0.51 -0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 53.83 3pcj s MET 122 Cb -0.29 -2.81 0.07 0.00 2.01 0.00 0.00 34.83 33.81 3pcj s MET 122 CO 0.37 0.63 1.13 0.00 -0.01 0.00 0.00 175.02 177.13 3pcj s ALA 123 N -1.22 2.06 0.29 3.03 0.00 -1.26 -4.09 121.76 120.57 3pcj s ALA 123 Ca 0.24 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3pcj s ALA 123 Cb -0.12 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.51 3pcj s ALA 123 CO 0.15 -1.97 1.39 -2.30 0.00 0.00 0.00 175.76 173.03 3pcj n PRO 124 N -3.41 2.21 -3.63 0.00 -0.02 -1.26 -4.87 135.00 124.01 3pcj n PRO 124 Ca 0.11 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3pcj n PRO 124 Cb 0.52 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.51 -0.33 -0.11 6.00 -3.43 -1.26 -4.39 115.29 111.27 3pcj s HIS 125 Ca 0.62 0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.92 3pcj s HIS 125 Cb -0.58 0.55 0.01 0.00 -1.43 0.00 0.00 32.58 31.13 3pcj s HIS 125 CO 0.55 -0.97 -0.20 0.42 -2.00 0.00 0.00 174.74 172.54 3pcj s ILE 126 N -3.83 1.82 -0.02 -5.38 1.01 -0.33 -4.57 121.20 109.90 3pcj s ILE 126 Ca 0.06 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 3pcj s ILE 126 Cb -0.02 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 3pcj s ILE 126 CO -0.05 0.51 0.69 0.20 0.00 0.00 0.00 174.94 176.29 3pcj s ASN 127 N 0.68 7.04 0.01 3.58 0.01 -0.55 0.34 114.94 126.05 3pcj s ASN 127 Ca -0.12 1.25 0.05 0.00 -0.71 0.00 0.00 52.86 53.34 3pcj s ASN 127 Cb -0.16 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 3pcj s ASN 127 CO 0.03 -0.03 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.79 3pcj s ILE 128 N 0.33 1.32 -0.12 0.60 1.01 -0.14 -1.14 121.20 123.06 3pcj s ILE 128 Ca 0.36 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3pcj s ILE 128 Cb -0.19 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3pcj s ILE 128 CO 0.19 0.23 -0.19 -0.44 0.00 0.00 0.00 174.94 174.73 3pcj s SER 129 N -0.77 2.80 -0.17 3.58 0.01 -0.86 -1.10 113.70 117.19 3pcj s SER 129 Ca 0.05 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 3pcj s SER 129 Cb -0.07 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 3pcj s SER 129 CO 0.00 0.06 0.00 -0.22 0.41 0.00 0.00 173.24 173.49 3pcj s LEU 130 N 0.85 3.47 0.07 2.44 2.96 0.29 -1.82 118.68 126.93 3pcj s LEU 130 Ca -0.08 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 3pcj s LEU 130 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3pcj s LEU 130 CO -0.01 0.17 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.62 3pcj s PHE 131 N 0.39 1.83 0.00 5.38 0.40 0.14 -2.26 117.98 123.86 3pcj s PHE 131 Ca -0.01 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3pcj s PHE 131 Cb -0.13 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.34 3pcj s PHE 131 CO 0.02 0.14 0.00 0.00 0.70 0.00 0.00 175.22 176.08 3pcj n ALA 132 N 1.53 0.00 -1.75 5.36 0.00 -1.26 -0.15 120.51 124.24 3pcj n ALA 132 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 3pcj n ALA 132 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 3pcj n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3pcj n ARG 133 N -0.16 2.00 0.00 0.00 1.85 -1.24 -0.59 116.66 118.53 3pcj n ARG 133 Ca 0.00 0.72 0.00 0.00 -1.00 0.00 0.00 57.85 57.57 3pcj n ARG 133 Cb 0.00 -2.57 0.00 0.00 -1.05 0.00 0.00 32.46 28.84 3pcj n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pcj n GLY 134 N 0.68 2.41 3.20 2.89 0.00 -1.26 -4.97 105.19 108.15 3pcj n GLY 134 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 3.85 0.20 -0.61 1.01 0.24 -4.98 121.20 118.67 3pcj s ILE 135 Ca 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 60.65 58.87 3pcj s ILE 135 Cb 0.00 -3.47 0.14 0.00 0.01 0.00 0.00 42.46 39.14 3pcj s ILE 135 CO 0.00 -0.60 1.76 0.78 0.00 0.00 0.00 174.94 176.89 3pcj h ASN 136 N 8.28 1.03 -3.43 3.58 2.35 -1.90 -3.35 115.58 122.14 3pcj h ASN 136 Ca -0.19 -0.17 -0.40 0.00 -0.55 0.00 0.00 56.30 54.98 3pcj h ASN 136 Cb 1.07 -0.27 -0.35 0.00 0.05 0.00 0.00 38.32 38.82 3pcj h ASN 136 CO 0.75 0.93 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.18 3pcj s ILE 137 N -5.54 0.43 0.63 2.81 2.07 -1.26 -3.21 121.20 117.12 3pcj s ILE 137 Ca -0.12 -0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 58.91 3pcj s ILE 137 Cb 0.15 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 3pcj s ILE 137 CO 0.83 0.21 0.75 0.00 -1.91 0.00 0.00 174.94 174.82 3pcj n HIS 138 N 4.26 0.04 -3.83 3.50 1.44 -1.26 -5.01 115.22 114.36 3pcj n HIS 138 Ca -0.22 0.42 -0.35 0.00 -2.01 0.00 0.00 57.72 55.56 3pcj n HIS 138 Cb 0.51 -2.03 -0.08 0.00 0.12 0.00 0.00 29.99 28.50 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 -0.97 4.08 -0.12 2.39 1.43 -0.96 -4.90 118.68 119.64 3pcj s LEU 139 Ca 0.72 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 3pcj s LEU 139 Cb -0.40 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3pcj s LEU 139 CO 0.51 0.19 0.06 -1.00 0.23 0.00 0.00 176.35 176.34 3pcj s HIS 140 N 0.32 3.32 0.26 0.29 3.76 -1.26 0.11 115.29 122.08 3pcj s HIS 140 Ca 0.07 0.26 -0.16 0.00 -0.15 0.00 0.00 55.06 55.08 3pcj s HIS 140 Cb -0.11 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3pcj s HIS 140 CO -0.01 0.47 0.56 -0.08 -0.85 0.00 0.00 174.74 174.83 3pcj s THR 141 N -0.61 0.00 0.05 1.30 -1.32 -0.26 -0.76 115.64 114.05 3pcj s THR 141 Ca 0.11 -1.27 0.05 0.00 -1.21 0.00 0.00 61.69 59.37 3pcj s THR 141 Cb -0.12 -2.14 -0.03 0.00 -1.51 0.00 0.00 72.50 68.71 3pcj s THR 141 CO 0.02 0.00 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.16 3pcj s ARG 142 N -3.98 0.89 -0.17 7.08 0.52 -1.26 -0.96 118.95 121.06 3pcj s ARG 142 Ca 0.19 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 3pcj s ARG 142 Cb -0.02 -0.90 -0.03 0.00 0.52 0.00 0.00 34.95 34.51 3pcj s ARG 142 CO 0.08 0.21 0.01 -1.17 0.02 0.00 0.00 175.30 174.46 3pcj s LEU 143 N -1.43 3.49 0.21 2.53 0.20 0.15 -4.79 118.68 119.05 3pcj s LEU 143 Ca 0.00 -0.05 0.10 0.00 0.69 0.00 0.00 54.13 54.88 3pcj s LEU 143 Cb -0.09 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3pcj s LEU 143 CO 0.02 0.16 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.77 3pcj s TYR 144 N 0.43 2.46 -0.08 5.38 2.02 -0.67 -1.19 117.35 125.71 3pcj s TYR 144 Ca -0.01 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3pcj s TYR 144 Cb -0.13 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 3pcj s TYR 144 CO 0.02 0.55 0.02 -0.06 -1.57 0.00 0.00 175.55 174.51 3pcj s PHE 145 N -1.88 3.20 0.33 2.71 0.40 -1.26 0.13 117.98 121.61 3pcj s PHE 145 Ca 0.25 0.22 0.19 0.00 -0.60 0.00 0.00 56.93 56.99 3pcj s PHE 145 Cb -0.08 -1.79 0.96 0.00 0.51 0.00 0.00 43.02 42.62 3pcj s PHE 145 CO 0.14 0.50 1.89 0.38 0.70 0.00 0.00 175.22 178.82 3pcj h ASP 146 N 5.05 0.00 -0.18 1.36 2.03 -1.44 -3.03 116.42 120.22 3pcj h ASP 146 Ca -0.51 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.71 3pcj h ASP 146 Cb 1.19 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.65 3pcj h ASP 146 CO 0.55 0.28 0.10 -0.90 -1.03 0.00 0.00 179.24 178.24 3pcj n ASP 147 N -3.80 2.82 -1.24 4.15 5.68 -1.26 -3.61 116.55 119.29 3pcj n ASP 147 Ca -0.01 -2.29 0.04 0.00 -0.50 0.00 0.00 54.79 52.02 3pcj n ASP 147 Cb 0.37 -0.56 0.04 0.00 -1.14 0.00 0.00 41.12 39.83 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 0.15 0.18 -0.38 0.11 -0.58 -1.14 -4.90 120.64 114.08 3pcj n GLU 148 Ca 0.10 -1.99 0.29 0.00 -0.42 0.00 0.00 57.16 55.14 3pcj n GLU 148 Cb 0.66 -0.26 0.56 0.00 -0.57 0.00 0.00 31.44 31.83 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 0.83 2.38 0.53 0.62 0.00 -1.77 0.12 119.26 121.98 3pcj h ALA 149 Ca -0.17 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3pcj h ALA 149 Cb 1.72 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 3pcj h ALA 149 CO 0.07 -0.93 -0.32 1.96 0.00 0.00 0.00 179.25 180.03 3pcj h GLN 150 N 0.24 -0.78 -0.18 0.00 4.20 -1.93 -0.49 115.11 116.18 3pcj h GLN 150 Ca 0.72 0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.51 3pcj h GLN 150 Cb 2.00 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.93 3pcj h GLN 150 CO -0.42 -0.52 0.02 0.00 -0.67 0.00 0.00 178.83 177.24 3pcj h ALA 151 N -0.40 0.17 -0.74 3.87 0.00 -1.42 -2.55 119.26 118.19 3pcj h ALA 151 Ca -0.06 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3pcj h ALA 151 Cb 0.66 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3pcj h ALA 151 CO 0.07 -0.42 0.49 -0.91 0.00 0.00 0.00 179.25 178.48 3pcj h ASN 152 N 0.09 0.50 0.58 0.00 2.35 -0.69 -0.08 115.58 118.33 3pcj h ASN 152 Ca 0.08 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3pcj h ASN 152 Cb 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3pcj h ASN 152 CO -0.12 0.28 -0.31 0.00 -1.65 0.00 0.00 177.43 175.63 3pcj h ALA 153 N 1.64 1.18 -0.00 -0.83 0.00 -0.65 -3.08 119.26 117.52 3pcj h ALA 153 Ca 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3pcj h ALA 153 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3pcj h ALA 153 CO -0.12 0.39 -0.80 1.63 0.00 0.00 0.00 179.25 180.35 3pcj n LYS 154 N -3.74 0.05 -1.69 0.00 4.76 -0.13 -4.94 118.16 112.48 3pcj n LYS 154 Ca -0.01 -0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 54.95 3pcj n LYS 154 Cb 0.41 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3pcj n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcj h PRO 156 N 8.21 0.15 0.15 0.00 0.13 -1.92 -0.72 132.00 138.00 3pcj h PRO 156 Ca -0.46 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3pcj h PRO 156 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3pcj h PRO 156 CO 0.94 0.40 -0.07 0.28 -0.23 0.00 0.00 178.00 179.32 3pcj h VAL 157 N 0.14 0.76 -0.11 1.56 2.07 -1.95 -3.14 116.25 115.58 3pcj h VAL 157 Ca 0.02 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3pcj h VAL 157 Cb 0.54 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3pcj h VAL 157 CO 0.04 0.21 0.07 0.25 0.02 0.00 0.00 177.57 178.16 3pcj h LEU 158 N -0.91 0.09 0.00 2.57 5.85 -1.90 0.27 115.31 121.28 3pcj h LEU 158 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pcj h LEU 158 Cb 0.50 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3pcj h LEU 158 CO 0.03 0.07 0.00 0.59 -0.34 0.00 0.00 178.44 178.79 3pcj n ASN 159 N -4.52 0.00 0.15 1.25 3.02 -0.28 -2.33 115.26 112.55 3pcj n ASN 159 Ca -0.01 -0.26 0.09 0.00 -0.03 0.00 0.00 54.58 54.37 3pcj n ASN 159 Cb 0.11 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -8.84 3.41 3.38 -0.40 -3.43 115.31 109.42 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 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3pcj h LEU 160 CO 0.00 0.13 1.01 -0.63 0.09 0.00 0.00 178.44 179.04 3pcj s ILE 161 N -3.20 4.05 0.18 1.22 1.01 -0.98 -4.92 121.20 118.56 3pcj s ILE 161 Ca 0.03 1.12 -0.20 0.00 0.00 0.00 0.00 60.65 61.60 3pcj s ILE 161 Cb 0.07 -4.26 0.11 0.00 0.01 0.00 0.00 42.46 38.39 3pcj s ILE 161 CO 0.74 -0.69 1.61 -0.33 0.00 0.00 0.00 174.94 176.27 3pcj h GLU 162 N 9.89 -0.17 -5.24 2.79 5.08 -1.88 -3.39 114.58 121.67 3pcj h GLU 162 Ca -0.26 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.46 3pcj h GLU 162 Cb 1.09 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 3pcj h GLU 162 CO 1.07 -0.11 -0.03 -0.65 -1.00 0.00 0.00 179.01 178.29 3pcj s GLN 163 N -6.06 3.53 0.33 2.33 -1.52 -1.26 -4.96 119.66 112.05 3pcj s GLN 163 Ca -0.15 -0.23 0.13 0.00 -1.95 0.00 0.00 55.36 53.16 3pcj s GLN 163 Cb 0.15 -3.84 1.03 0.00 -0.22 0.00 0.00 33.01 30.13 3pcj s GLN 163 CO 0.69 -0.71 1.68 -1.00 -0.25 0.00 0.00 175.29 175.70 3pcj h PRO 164 N 8.54 0.36 -0.97 2.91 0.13 -1.97 0.23 132.00 141.23 3pcj h PRO 164 Ca -0.27 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.99 3pcj h PRO 164 Cb 1.12 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.08 3pcj h PRO 164 CO 0.79 0.24 0.61 1.96 -0.23 0.00 0.00 178.00 181.37 3pcj h GLN 165 N 0.37 0.78 0.00 0.86 7.50 -1.95 -1.24 115.11 121.44 3pcj h GLN 165 Ca 0.71 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.78 3pcj h GLN 165 Cb 1.55 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.90 3pcj h GLN 165 CO -0.58 0.52 -0.15 0.00 -1.50 0.00 0.00 178.83 177.12 3pcj h ARG 166 N 0.81 0.00 0.00 1.46 3.08 -0.94 -3.07 114.38 115.72 3pcj h ARG 166 Ca 0.51 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.50 3pcj h ARG 166 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3pcj h ARG 166 CO -0.28 0.15 -0.29 0.00 -1.07 0.00 0.00 179.97 178.48 3pcj h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.19 -2.71 114.38 113.60 3pcj h ARG 167 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3pcj h ARG 167 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3pcj h ARG 167 CO 0.02 0.29 -0.19 0.93 -1.07 0.00 0.00 179.97 179.95 3pcj h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.54 -2.71 114.58 115.45 3pcj h GLU 168 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3pcj h GLU 168 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3pcj h GLU 168 CO 0.04 0.19 0.00 0.25 -1.00 0.00 0.00 179.01 178.49 3pcj n THR 169 N -3.52 0.93 0.94 1.13 -2.24 -1.02 -2.89 114.28 107.61 3pcj n THR 169 Ca -0.01 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 3pcj n THR 169 Cb 0.35 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 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 -1.94 0.83 -4.58 3.22 4.77 -1.02 -4.77 117.00 113.51 3pcj n LEU 170 Ca 0.02 -0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 3pcj n LEU 170 Cb 0.19 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3pcj n LEU 170 CO 0.17 0.20 0.20 -0.63 -1.33 0.00 0.00 177.39 175.99 3pcj s ILE 171 N -3.03 5.06 0.13 -0.08 1.01 -1.14 -1.66 121.20 121.48 3pcj s ILE 171 Ca 0.08 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 3pcj s ILE 171 Cb 0.16 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 3pcj s ILE 171 CO 0.83 -0.09 1.07 0.00 0.00 0.00 0.00 174.94 176.74 3pcj s ALA 172 N 2.31 3.32 -0.33 9.38 0.00 0.36 -4.82 121.76 131.98 3pcj s ALA 172 Ca 0.18 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 3pcj s ALA 172 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3pcj s ALA 172 CO 0.12 -0.19 0.90 0.15 0.00 0.00 0.00 175.76 176.73 3pcj s LYS 173 N 0.04 3.95 0.30 0.00 1.02 -1.07 -1.11 119.74 122.87 3pcj s LYS 173 Ca 0.50 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 3pcj s LYS 173 Cb -0.27 -3.75 -0.10 0.00 -0.52 0.00 0.00 37.83 33.19 3pcj s LYS 173 CO 0.32 -0.81 1.28 0.50 -0.92 0.00 0.00 175.35 175.72 3pcj s ARG 174 N 3.27 4.40 0.00 1.68 3.52 -1.26 -0.55 118.95 130.02 3pcj s ARG 174 Ca 0.37 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 3pcj s ARG 174 Cb -0.13 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3pcj s ARG 174 CO 0.15 -0.14 0.00 0.00 -0.81 0.00 0.00 175.30 174.50 3pcj s GLU 176 N -0.18 0.18 -0.21 0.00 2.56 -1.26 -1.34 118.70 118.45 3pcj s GLU 176 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 54.97 55.21 3pcj s GLU 176 Cb 0.00 0.06 0.06 0.00 2.00 0.00 0.00 34.13 36.24 3pcj s GLU 176 CO 0.00 -0.04 -0.04 0.08 -0.56 0.00 0.00 175.26 174.70 3pcj s VAL 177 N 0.22 1.26 -1.21 3.70 1.01 0.34 -4.72 120.40 121.02 3pcj s VAL 177 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3pcj s VAL 177 Cb -0.02 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3pcj s VAL 177 CO -0.01 -0.06 0.98 0.47 0.00 0.00 0.00 175.10 176.48 3pcj n ASP 178 N 4.78 -2.01 -3.87 3.32 8.00 -1.26 -1.74 116.55 123.77 3pcj n ASP 178 Ca -0.12 -0.63 -0.30 0.00 0.71 0.00 0.00 54.79 54.45 3pcj n ASP 178 Cb 0.45 -5.07 0.02 0.00 -0.02 0.00 0.00 41.12 36.51 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 -1.16 -0.50 3.10 0.44 0.00 -1.26 -4.97 105.19 100.85 3pcj n GLY 179 Ca -0.29 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -6.58 0.94 0.14 1.61 2.47 -0.71 -5.11 119.74 112.50 3pcj s LYS 180 Ca 0.65 -0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 54.18 3pcj s LYS 180 Cb -0.33 -0.92 -0.09 0.00 -1.46 0.00 0.00 37.83 35.03 3pcj s LYS 180 CO 0.80 0.24 1.44 0.99 0.16 0.00 0.00 175.35 178.99 3pcj s THR 181 N -0.54 3.08 0.14 3.43 2.01 -1.26 0.13 115.64 122.62 3pcj s THR 181 Ca 0.03 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.83 3pcj s THR 181 Cb -0.06 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3pcj s THR 181 CO 0.00 0.06 -0.04 0.00 -0.69 0.00 0.00 174.62 173.96 3pcj s ALA 182 N 1.06 1.21 -0.08 7.40 0.00 -0.45 -0.82 121.76 130.09 3pcj s ALA 182 Ca 0.66 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 3pcj s ALA 182 Cb -0.39 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3pcj s ALA 182 CO 0.31 -0.26 0.19 0.71 0.00 0.00 0.00 175.76 176.71 3pcj s TYR 183 N -3.61 -0.22 -0.21 0.00 1.51 0.01 -0.33 117.35 114.50 3pcj s TYR 183 Ca 0.18 0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 56.73 3pcj s TYR 183 Cb 0.05 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.88 3pcj s TYR 183 CO 0.00 -0.15 0.08 0.50 -1.11 0.00 0.00 175.55 174.86 3pcj s ARG 184 N 0.73 3.91 -0.30 -0.62 3.52 0.29 -1.77 118.95 124.71 3pcj s ARG 184 Ca -0.05 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3pcj s ARG 184 Cb -0.07 -3.28 0.09 0.00 -1.56 0.00 0.00 34.95 30.13 3pcj s ARG 184 CO -0.04 0.14 0.05 0.12 -0.81 0.00 0.00 175.30 174.76 3pcj s PHE 185 N 0.76 2.40 -0.14 5.12 5.36 0.38 -2.58 117.98 129.29 3pcj s PHE 185 Ca 0.04 -2.06 -0.16 0.00 -0.96 0.00 0.00 56.93 53.79 3pcj s PHE 185 Cb -0.13 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 3pcj s PHE 185 CO 0.02 -0.87 0.39 -0.51 -1.46 0.00 0.00 175.22 172.80 3pcj s ASP 186 N 1.38 6.57 -0.19 6.13 1.11 -1.26 -3.74 116.67 126.66 3pcj s ASP 186 Ca 0.06 0.68 -0.05 0.00 0.18 0.00 0.00 52.55 53.43 3pcj s ASP 186 Cb -0.18 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 3pcj s ASP 186 CO -0.16 0.05 -0.01 -0.63 1.18 0.00 0.00 175.17 175.60 3pcj s ILE 187 N 0.53 3.89 -0.30 0.77 1.01 -0.49 -4.98 121.20 121.63 3pcj s ILE 187 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3pcj s ILE 187 Cb -0.14 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.63 3pcj s ILE 187 CO 0.07 0.44 -0.00 -0.13 0.00 0.00 0.00 174.94 175.32 3pcj s ARG 188 N 0.92 2.41 0.23 2.79 0.52 -1.26 -1.37 118.95 123.19 3pcj s ARG 188 Ca 0.01 -1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 3pcj s ARG 188 Cb -0.14 -3.17 0.23 0.00 0.52 0.00 0.00 34.95 32.39 3pcj s ARG 188 CO 0.02 -0.62 1.66 0.82 0.02 0.00 0.00 175.30 177.19 3pcj h ILE 189 N 6.48 1.27 -3.26 1.52 2.04 -1.72 0.25 117.51 124.09 3pcj h ILE 189 Ca -0.21 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.24 3pcj h ILE 189 Cb 1.06 1.18 -0.20 0.00 -0.74 0.00 0.00 36.82 38.12 3pcj h ILE 189 CO 0.53 0.43 -0.37 -1.58 0.00 0.00 0.00 178.15 177.16 3pcj s GLN 190 N -4.64 0.59 2.08 2.37 0.74 -1.26 -4.77 119.66 114.77 3pcj s GLN 190 Ca -0.09 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.02 3pcj s GLN 190 Cb 0.13 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.50 3pcj s GLN 190 CO 0.83 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 3pcj n GLY 191 N 1.32 0.59 3.68 2.59 0.00 -1.26 -4.12 105.19 107.99 3pcj n GLY 191 Ca -0.22 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 4.20 -0.76 1.61 2.12 -1.26 -1.79 118.70 122.82 3pcj s GLU 192 Ca 0.00 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.57 3pcj s GLU 192 Cb 0.00 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3pcj s GLU 192 CO 0.00 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 3pcj n GLY 193 N 4.01 0.91 3.57 -1.50 0.00 -1.26 -4.92 105.19 106.00 3pcj n GLY 193 Ca 0.16 -0.48 -0.55 0.00 0.00 0.00 0.00 46.02 45.15 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 0.69 -2.31 1.61 2.13 -0.74 -4.65 120.64 114.98 3pcj n GLU 194 Ca -0.07 0.25 -0.35 0.00 0.66 0.00 0.00 57.16 57.65 3pcj n GLU 194 Cb 0.28 -1.84 -0.01 0.00 0.27 0.00 0.00 31.44 30.15 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 0.60 3.26 0.12 6.31 2.01 0.88 -4.96 115.64 123.85 3pcj s THR 195 Ca 0.88 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 63.41 3pcj s THR 195 Cb -1.10 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 3pcj s THR 195 CO 0.53 -0.13 1.11 -0.69 -0.69 0.00 0.00 174.62 174.76 3pcj s VAL 196 N -1.74 4.06 -0.02 3.82 1.01 -1.26 -4.95 120.40 121.32 3pcj s VAL 196 Ca 0.69 1.63 0.07 0.00 0.00 0.00 0.00 61.98 64.37 3pcj s VAL 196 Cb -0.24 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3pcj s VAL 196 CO 0.28 0.21 -0.23 -0.36 0.00 0.00 0.00 175.10 175.00 3pcj s PHE 197 N 0.34 2.08 0.34 5.22 0.08 -1.26 -4.63 117.98 120.14 3pcj s PHE 197 Ca 0.53 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.25 3pcj s PHE 197 Cb -0.28 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3pcj s PHE 197 CO 0.32 -0.04 0.28 -0.06 -0.10 0.00 0.00 175.22 175.62 3pcj s PHE 198 N -0.53 2.88 -0.04 0.36 0.08 0.06 -5.00 117.98 115.78 3pcj s PHE 198 Ca 0.09 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3pcj s PHE 198 Cb -0.09 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3pcj s PHE 198 CO -0.01 0.19 -0.06 0.34 -0.10 0.00 0.00 175.22 175.58 3pcj s ASP 199 N -3.98 1.04 0.00 1.36 2.15 -1.26 -4.34 116.67 111.63 3pcj s ASP 199 Ca 0.41 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.23 3pcj s ASP 199 Cb -0.05 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.11 3pcj s ASP 199 CO 0.26 -0.02 0.00 2.22 -0.17 0.00 0.00 175.17 177.46