#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j04 n LYS 5 N 0.00 3.29 -3.96 1.57 4.01 -1.26 -5.10 118.16 116.72 1j04 n LYS 5 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 1j04 n LYS 5 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 1j04 n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1j04 s LEU 6 N 0.00 2.98 0.13 -0.35 1.43 -1.26 -5.02 118.68 116.59 1j04 s LEU 6 Ca 0.00 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1j04 s LEU 6 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1j04 s LEU 6 CO 0.00 -0.08 1.59 -0.07 0.23 0.00 0.00 176.35 178.02 1j04 h LEU 7 N 8.04 -1.24 -9.44 1.79 3.38 -2.09 -3.40 115.31 112.35 1j04 h LEU 7 Ca -0.37 0.17 -0.60 0.00 0.09 0.00 0.00 57.88 57.16 1j04 h LEU 7 Cb 1.13 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 1j04 h LEU 7 CO 0.59 -0.42 -0.31 -0.69 0.09 0.00 0.00 178.44 177.71 1j04 s VAL 8 N -5.91 5.27 0.30 1.22 1.01 -1.26 -5.10 120.40 115.93 1j04 s VAL 8 Ca -0.15 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1j04 s VAL 8 Cb 0.10 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1j04 s VAL 8 CO 0.65 0.46 0.33 0.42 0.00 0.00 0.00 175.10 176.95 1j04 s THR 9 N -0.09 4.17 0.05 3.92 -4.23 -1.26 -5.03 115.64 113.17 1j04 s THR 9 Ca 0.18 -1.22 -0.38 0.00 -1.18 0.00 0.00 61.69 59.10 1j04 s THR 9 Cb -0.14 -3.40 -0.17 0.00 1.34 0.00 0.00 72.50 70.12 1j04 s THR 9 CO 0.06 -0.24 1.30 -2.65 -0.54 0.00 0.00 174.62 172.56 1j04 n PRO 10 N -1.40 0.91 -2.00 3.99 -0.02 -1.26 -4.82 135.00 130.39 1j04 n PRO 10 Ca -0.04 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1j04 n PRO 10 Cb 0.58 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1j04 n PRO 10 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1j04 s PRO 11 N 0.50 4.22 0.17 0.52 0.02 -1.26 -4.92 135.00 134.25 1j04 s PRO 11 Ca 0.86 2.24 -0.24 0.00 0.02 0.00 0.00 61.00 63.88 1j04 s PRO 11 Cb -1.02 -3.60 0.06 0.00 0.02 0.00 0.00 34.50 29.96 1j04 s PRO 11 CO 0.50 -0.70 1.59 0.87 -0.33 0.00 0.00 177.00 178.93 1j04 h LYS 12 N 8.21 -0.24 -0.91 5.54 6.56 -2.01 -2.06 116.57 131.66 1j04 h LYS 12 Ca -0.41 0.02 0.16 0.00 -1.06 0.00 0.00 60.65 59.35 1j04 h LYS 12 Cb 1.19 0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.83 1j04 h LYS 12 CO 0.92 -0.16 0.59 0.00 -2.06 0.00 0.00 179.45 178.74 1j04 h ALA 13 N 0.72 1.86 0.00 3.86 0.00 -1.97 -0.23 119.26 123.50 1j04 h ALA 13 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1j04 h ALA 13 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j04 h ALA 13 CO -0.59 -0.12 -0.20 -0.07 0.00 0.00 0.00 179.25 178.27 1j04 h LEU 14 N 0.67 0.00 0.00 0.00 3.38 -1.77 -1.64 115.31 115.96 1j04 h LEU 14 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1j04 h LEU 14 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1j04 h LEU 14 CO -0.22 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.69 1j04 n LEU 15 N -3.76 0.00 -4.93 1.67 4.77 -0.10 -4.67 117.00 109.98 1j04 n LEU 15 Ca -0.02 0.44 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 1j04 n LEU 15 Cb 0.31 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1j04 n LEU 15 CO 0.33 -0.23 0.44 -0.54 -1.33 0.00 0.00 177.39 176.06 1j04 s LYS 16 N -2.88 2.95 0.33 3.23 1.02 -0.62 -5.07 119.74 118.70 1j04 s LYS 16 Ca 0.09 -0.21 -0.17 0.00 0.02 0.00 0.00 55.97 55.70 1j04 s LYS 16 Cb 0.09 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 1j04 s LYS 16 CO 0.25 -0.55 0.77 -2.14 -0.92 0.00 0.00 175.35 172.76 1j04 s PRO 17 N -4.83 4.08 0.11 -1.68 0.02 -1.26 -5.01 135.00 126.42 1j04 s PRO 17 Ca 0.52 0.77 -0.31 0.00 0.02 0.00 0.00 61.00 62.00 1j04 s PRO 17 Cb -0.10 -2.44 -0.08 0.00 0.02 0.00 0.00 34.50 31.89 1j04 s PRO 17 CO 0.42 0.15 1.49 -1.17 -0.33 0.00 0.00 177.00 177.56 1j04 s LEU 18 N -2.89 4.36 -0.07 -5.54 0.20 -1.26 -5.00 118.68 108.48 1j04 s LEU 18 Ca 0.54 2.42 -0.02 0.00 0.69 0.00 0.00 54.13 57.76 1j04 s LEU 18 Cb -0.11 -3.58 0.03 0.00 -0.43 0.00 0.00 46.19 42.10 1j04 s LEU 18 CO 0.17 -0.75 0.02 -0.55 -0.29 0.00 0.00 176.35 174.95 1j04 s SER 19 N 1.40 1.59 -0.09 3.68 0.15 -1.26 -5.14 113.70 114.03 1j04 s SER 19 Ca 0.68 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1j04 s SER 19 Cb -0.39 -0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 63.52 1j04 s SER 19 CO 0.30 -0.21 -0.20 0.27 1.20 0.00 0.00 173.24 174.60 1j04 s ILE 20 N 2.01 2.42 1.10 6.45 -4.36 -1.26 -5.12 121.20 122.44 1j04 s ILE 20 Ca 0.05 -0.91 -0.12 0.00 -0.26 0.00 0.00 60.65 59.40 1j04 s ILE 20 Cb -0.12 -1.94 0.25 0.00 1.25 0.00 0.00 42.46 41.90 1j04 s ILE 20 CO -0.05 0.56 1.06 -2.16 0.24 0.00 0.00 174.94 174.58 1j04 s PRO 21 N 0.06 -0.45 -0.27 0.37 0.04 -1.26 -4.97 135.00 128.52 1j04 s PRO 21 Ca -0.09 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1j04 s PRO 21 Cb -0.15 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1j04 s PRO 21 CO 0.05 -3.46 0.37 1.21 0.04 0.00 0.00 177.00 175.22 1j04 s ASN 22 N -2.57 6.25 -0.04 6.66 3.84 -1.26 -5.06 114.94 122.76 1j04 s ASN 22 Ca 0.68 0.28 0.02 0.00 0.21 0.00 0.00 52.86 54.05 1j04 s ASN 22 Cb -0.24 -2.21 0.01 0.00 -0.55 0.00 0.00 41.25 38.26 1j04 s ASN 22 CO 0.63 -0.19 -0.11 -1.10 -2.79 0.00 0.00 177.10 173.55 1j04 s GLN 23 N 2.07 1.30 -0.48 0.43 -0.21 -1.26 -4.88 119.66 116.63 1j04 s GLN 23 Ca 0.15 -0.36 -0.17 0.00 0.02 0.00 0.00 55.36 55.01 1j04 s GLN 23 Cb -0.16 -1.15 0.06 0.00 1.00 0.00 0.00 33.01 32.77 1j04 s GLN 23 CO 0.10 0.08 0.46 -1.17 -2.12 0.00 0.00 175.29 172.64 1j04 s LEU 24 N 0.42 5.36 -0.44 2.90 2.96 -0.17 -4.98 118.68 124.72 1j04 s LEU 24 Ca -0.08 -1.14 -0.25 0.00 -0.22 0.00 0.00 54.13 52.44 1j04 s LEU 24 Cb -0.12 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.32 1j04 s LEU 24 CO 0.02 -0.70 0.87 -0.76 -1.32 0.00 0.00 176.35 174.46 1j04 s LEU 25 N 1.97 4.08 -0.35 -0.68 1.43 -1.26 -1.51 118.68 122.36 1j04 s LEU 25 Ca 0.08 0.13 0.13 0.00 -1.03 0.00 0.00 54.13 53.44 1j04 s LEU 25 Cb -0.22 -3.12 0.45 0.00 0.03 0.00 0.00 46.19 43.33 1j04 s LEU 25 CO 0.09 -0.96 1.07 0.18 0.23 0.00 0.00 176.35 176.95 1j04 n LEU 26 N 6.92 3.07 0.00 1.79 4.77 -0.86 -4.43 117.00 128.26 1j04 n LEU 26 Ca 0.05 -4.26 -0.10 0.00 -0.03 0.00 0.00 56.01 51.67 1j04 n LEU 26 Cb 0.48 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1j04 n LEU 26 CO 0.61 1.78 -0.06 0.61 -1.33 0.00 0.00 177.39 179.00 1j04 n GLY 27 N -0.38 3.84 0.00 -0.72 0.00 -1.18 -0.94 105.19 105.81 1j04 n GLY 27 Ca 0.24 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1j04 n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j04 n PRO 28 N -0.48 0.05 0.00 1.61 -0.04 -1.26 -3.59 135.00 131.29 1j04 n PRO 28 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1j04 n PRO 28 Cb 0.20 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1j04 n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j04 n GLY 29 N -0.50 3.06 3.64 0.55 0.00 -1.26 -4.97 105.19 105.71 1j04 n GLY 29 Ca 0.00 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1j04 n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1j04 s PRO 30 N -3.35 0.06 0.46 1.61 0.02 -1.26 -5.12 135.00 127.42 1j04 s PRO 30 Ca 0.00 0.50 0.07 0.00 0.02 0.00 0.00 61.00 61.59 1j04 s PRO 30 Cb 0.00 -1.70 -0.01 0.00 0.02 0.00 0.00 34.50 32.82 1j04 s PRO 30 CO 0.00 -2.98 0.35 -1.54 -0.33 0.00 0.00 177.00 172.50 1j04 s SER 31 N -3.34 4.79 0.46 2.53 1.04 -0.92 -4.75 113.70 113.51 1j04 s SER 31 Ca 0.66 -0.96 -0.22 0.00 0.48 0.00 0.00 55.95 55.91 1j04 s SER 31 Cb -0.19 -0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.60 1j04 s SER 31 CO 0.59 -0.78 1.05 0.20 0.98 0.00 0.00 173.24 175.28 1j04 s ASN 32 N -4.14 6.45 -0.03 7.02 0.01 -1.26 -4.92 114.94 118.08 1j04 s ASN 32 Ca 0.43 1.98 -0.15 0.00 -0.71 0.00 0.00 52.86 54.41 1j04 s ASN 32 Cb -0.01 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1j04 s ASN 32 CO 0.25 -0.70 0.41 -0.76 -1.51 0.00 0.00 177.10 174.79 1j04 s LEU 33 N -3.20 4.43 0.68 0.60 1.43 -1.26 -4.81 118.68 116.55 1j04 s LEU 33 Ca 0.64 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 1j04 s LEU 33 Cb -0.19 -2.59 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1j04 s LEU 33 CO 0.23 0.26 1.06 -2.84 0.23 0.00 0.00 176.35 175.28 1j04 s PRO 34 N -0.70 3.05 0.31 1.29 0.02 -1.26 -4.80 135.00 132.91 1j04 s PRO 34 Ca 0.24 0.87 0.06 0.00 0.02 0.00 0.00 61.00 62.19 1j04 s PRO 34 Cb -0.16 -2.01 0.72 0.00 0.02 0.00 0.00 34.50 33.07 1j04 s PRO 34 CO 0.12 -1.00 1.81 -1.00 -0.33 0.00 0.00 177.00 176.60 1j04 h PRO 35 N -0.64 0.77 -0.95 5.54 0.13 -1.99 -1.27 132.00 133.59 1j04 h PRO 35 Ca -0.44 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1j04 h PRO 35 Cb 1.21 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 1j04 h PRO 35 CO 0.58 0.51 0.62 0.00 -0.23 0.00 0.00 178.00 179.49 1j04 h ARG 36 N 0.80 1.17 -0.22 0.86 3.08 -1.99 0.14 114.38 118.22 1j04 h ARG 36 Ca 0.54 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.34 1j04 h ARG 36 Cb 0.79 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1j04 h ARG 36 CO -0.32 0.78 -0.58 0.82 -1.07 0.00 0.00 179.97 179.60 1j04 h ILE 37 N 1.21 1.30 -0.45 2.04 1.08 -1.63 -2.11 117.51 118.95 1j04 h ILE 37 Ca 0.38 -1.80 -0.11 0.00 -0.39 0.00 0.00 64.86 62.93 1j04 h ILE 37 Cb -0.01 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1j04 h ILE 37 CO -0.12 0.57 -0.16 0.24 -0.69 0.00 0.00 178.15 177.99 1j04 h MET 38 N 0.53 0.87 -0.26 2.37 2.86 -0.78 -2.46 114.93 118.06 1j04 h MET 38 Ca 0.00 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1j04 h MET 38 Cb 1.16 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1j04 h MET 38 CO 0.12 0.96 0.07 0.00 1.06 0.00 0.00 176.91 179.13 1j04 h ALA 39 N 1.05 0.35 -0.63 6.32 0.00 -0.64 -2.91 119.26 122.79 1j04 h ALA 39 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1j04 h ALA 39 Cb 0.69 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1j04 h ALA 39 CO 0.05 -0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.64 1j04 h ALA 40 N 0.90 0.83 0.00 0.00 0.00 -1.24 -1.56 119.26 118.19 1j04 h ALA 40 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j04 h ALA 40 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j04 h ALA 40 CO -0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1j04 n GLY 41 N -1.28 -0.57 0.97 0.00 0.00 -0.94 -1.72 105.19 101.66 1j04 n GLY 41 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1j04 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j04 n GLY 42 N -1.02 2.61 3.92 -0.02 0.00 -0.59 -5.01 105.19 105.07 1j04 n GLY 42 Ca 0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1j04 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j04 s LEU 43 N -1.01 2.92 0.61 0.99 1.43 -0.70 -5.08 118.68 117.85 1j04 s LEU 43 Ca 0.35 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1j04 s LEU 43 Cb 0.18 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1j04 s LEU 43 CO 0.24 -1.43 1.01 -1.10 0.23 0.00 0.00 176.35 175.31 1j04 s GLN 44 N -5.22 3.54 0.72 1.70 -1.52 -1.26 -5.01 119.66 112.60 1j04 s GLN 44 Ca 0.58 0.67 -0.12 0.00 -1.95 0.00 0.00 55.36 54.54 1j04 s GLN 44 Cb -0.11 -2.11 0.03 0.00 -0.22 0.00 0.00 33.01 30.61 1j04 s GLN 44 CO 0.46 -0.57 1.09 -1.64 -0.25 0.00 0.00 175.29 174.38 1j04 s MET 45 N -5.15 2.58 0.20 2.91 -1.94 -1.26 -5.00 119.30 111.64 1j04 s MET 45 Ca 0.54 1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 55.69 1j04 s MET 45 Cb -0.11 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 1j04 s MET 45 CO 0.53 -1.40 0.20 0.96 -0.01 0.00 0.00 175.02 175.30 1j04 s ILE 46 N -2.74 0.01 0.16 2.53 -4.36 -1.26 -5.12 121.20 110.43 1j04 s ILE 46 Ca 0.62 -1.85 -0.32 0.00 -0.26 0.00 0.00 60.65 58.84 1j04 s ILE 46 Cb -0.17 -2.37 -0.12 0.00 1.25 0.00 0.00 42.46 41.05 1j04 s ILE 46 CO 0.51 -0.06 1.74 0.61 0.24 0.00 0.00 174.94 177.97 1j04 n GLY 47 N -0.27 1.48 0.00 6.27 0.00 -1.26 -4.81 105.19 106.60 1j04 n GLY 47 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 46.02 46.73 1j04 n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j04 n SER 48 N 4.51 0.00 -1.18 1.61 3.41 -1.26 -1.73 113.62 118.98 1j04 n SER 48 Ca 0.17 0.10 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 1j04 n SER 48 Cb 0.34 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1j04 n SER 48 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1j04 n MET 49 N -1.23 0.08 -2.96 4.33 2.81 -1.26 -4.83 117.12 114.07 1j04 n MET 49 Ca 0.04 -1.79 -0.29 0.00 -1.81 0.00 0.00 57.70 53.84 1j04 n MET 49 Cb 0.05 -0.22 -0.03 0.00 -0.71 0.00 0.00 33.22 32.31 1j04 n MET 49 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1j04 s SER 50 N -1.80 6.47 0.43 7.83 1.04 -0.70 -4.94 113.70 122.03 1j04 s SER 50 Ca 0.25 1.00 0.23 0.00 0.48 0.00 0.00 55.95 57.91 1j04 s SER 50 Cb 0.28 -2.27 1.23 0.00 0.10 0.00 0.00 66.02 65.36 1j04 s SER 50 CO -0.12 -0.37 1.78 0.11 0.98 0.00 0.00 173.24 175.62 1j04 h LYS 51 N 1.24 0.27 -0.38 4.02 1.57 -1.99 -0.19 116.57 121.11 1j04 h LYS 51 Ca -0.47 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 1j04 h LYS 51 Cb 1.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1j04 h LYS 51 CO 0.64 0.18 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.05 1j04 h ASP 52 N 0.28 0.85 -0.74 0.86 3.32 -1.93 -1.76 116.42 117.30 1j04 h ASP 52 Ca 0.59 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1j04 h ASP 52 Cb 1.72 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 41.00 1j04 h ASP 52 CO -0.23 1.08 0.45 0.24 -1.72 0.00 0.00 179.24 179.06 1j04 h MET 53 N 0.62 0.99 -0.37 3.56 2.86 -1.27 -0.29 114.93 121.04 1j04 h MET 53 Ca 0.08 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1j04 h MET 53 Cb 0.77 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1j04 h MET 53 CO 0.06 0.69 0.20 1.88 1.06 0.00 0.00 176.91 180.80 1j04 h TYR 54 N 1.00 0.36 -0.11 -0.22 0.99 -1.31 0.44 116.97 118.12 1j04 h TYR 54 Ca 0.27 0.01 0.02 0.00 2.00 0.00 0.00 58.73 61.03 1j04 h TYR 54 Cb -0.05 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.55 1j04 h TYR 54 CO -0.01 0.20 0.01 1.96 -0.00 0.00 0.00 178.16 180.32 1j04 h GLN 55 N 0.40 0.05 -0.97 4.88 1.08 -0.88 0.47 115.11 120.14 1j04 h GLN 55 Ca 0.15 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1j04 h GLN 55 Cb 0.04 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.38 1j04 h GLN 55 CO -0.09 0.03 0.62 0.82 -0.95 0.00 0.00 178.83 179.27 1j04 h ILE 56 N 0.05 0.99 -0.40 2.54 2.04 -0.44 0.40 117.51 122.70 1j04 h ILE 56 Ca 0.05 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1j04 h ILE 56 Cb 0.05 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1j04 h ILE 56 CO -0.08 0.19 0.03 0.24 0.00 0.00 0.00 178.15 178.53 1j04 h MET 57 N 1.03 0.68 -0.06 2.37 2.86 0.82 -1.93 114.93 120.69 1j04 h MET 57 Ca 0.45 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1j04 h MET 57 Cb 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1j04 h MET 57 CO -0.21 0.75 -0.31 -0.44 1.06 0.00 0.00 176.91 177.76 1j04 h ASP 58 N 0.52 0.12 -0.23 1.22 3.32 0.12 -1.79 116.42 119.69 1j04 h ASP 58 Ca 0.12 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1j04 h ASP 58 Cb 0.42 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1j04 h ASP 58 CO 0.01 0.43 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.17 1j04 h GLU 59 N 0.11 0.80 -0.56 3.56 5.08 -0.70 -2.51 114.58 120.35 1j04 h GLU 59 Ca 0.01 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1j04 h GLU 59 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1j04 h GLU 59 CO 0.04 1.09 0.10 0.82 -1.00 0.00 0.00 179.01 180.06 1j04 h ILE 60 N 0.63 1.25 -0.47 3.13 2.04 -0.99 -1.33 117.51 121.78 1j04 h ILE 60 Ca 0.04 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.02 1j04 h ILE 60 Cb 1.04 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1j04 h ILE 60 CO 0.10 0.35 0.12 0.11 0.00 0.00 0.00 178.15 178.83 1j04 h LYS 61 N 0.81 0.26 -0.92 2.37 1.57 -1.20 0.68 116.57 120.13 1j04 h LYS 61 Ca 0.17 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1j04 h LYS 61 Cb 0.40 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1j04 h LYS 61 CO 0.01 0.17 0.59 0.93 -0.57 0.00 0.00 179.45 180.58 1j04 h GLU 62 N 0.26 1.22 -0.57 3.15 5.08 -0.99 -1.08 114.58 121.65 1j04 h GLU 62 Ca 0.23 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1j04 h GLU 62 Cb 0.28 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1j04 h GLU 62 CO -0.28 0.82 -0.00 0.78 -1.00 0.00 0.00 179.01 179.32 1j04 h GLY 63 N 1.25 1.06 1.83 -3.84 0.00 -0.01 -1.18 103.07 102.18 1j04 h GLY 63 Ca 0.33 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1j04 h GLY 63 CO -0.07 0.70 -0.37 -2.22 0.00 0.00 0.00 176.54 174.57 1j04 h ILE 64 N 0.90 1.29 -0.02 2.60 2.04 -0.18 -0.09 117.51 124.05 1j04 h ILE 64 Ca 0.16 -1.41 -0.13 0.00 1.00 0.00 0.00 64.86 64.49 1j04 h ILE 64 Cb 0.53 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1j04 h ILE 64 CO 0.03 0.42 -0.58 1.56 0.00 0.00 0.00 178.15 179.57 1j04 h GLN 65 N 0.17 0.07 0.33 2.37 4.20 -0.84 0.09 115.11 121.50 1j04 h GLN 65 Ca 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1j04 h GLN 65 Cb 0.74 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1j04 h GLN 65 CO 0.06 0.63 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.77 1j04 h TYR 66 N 0.05 -0.41 -0.53 2.96 3.20 -0.49 0.57 116.97 122.33 1j04 h TYR 66 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1j04 h TYR 66 Cb 1.04 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 1j04 h TYR 66 CO 0.01 -0.25 0.35 -0.39 -1.64 0.00 0.00 178.16 176.23 1j04 h VAL 67 N -0.85 0.96 0.08 1.81 -1.51 -1.07 -1.86 116.25 113.81 1j04 h VAL 67 Ca -0.04 -0.15 -0.27 0.00 -1.23 0.00 0.00 66.70 65.01 1j04 h VAL 67 Cb 0.34 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 1j04 h VAL 67 CO 0.07 0.08 -1.30 -0.26 -1.23 0.00 0.00 177.57 174.93 1j04 h PHE 68 N 0.45 0.30 -3.73 5.19 0.05 -1.04 -3.46 116.94 114.69 1j04 h PHE 68 Ca 0.23 -0.22 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 1j04 h PHE 68 Cb 0.34 -0.01 0.04 0.00 2.00 0.00 0.00 35.95 38.32 1j04 h PHE 68 CO -0.00 1.21 -0.17 1.04 -0.18 0.00 0.00 178.31 180.21 1j04 n GLN 69 N -3.41 -0.58 -3.94 1.51 1.13 0.19 -2.12 117.38 110.16 1j04 n GLN 69 Ca -0.09 0.45 -0.10 0.00 -1.94 0.00 0.00 57.00 55.32 1j04 n GLN 69 Cb 1.01 -2.81 -0.07 0.00 0.11 0.00 0.00 30.24 28.48 1j04 n GLN 69 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1j04 s THR 70 N -3.08 0.06 0.00 5.09 -1.32 -0.64 -3.55 115.64 112.20 1j04 s THR 70 Ca 0.09 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 1j04 s THR 70 Cb -0.01 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 1j04 s THR 70 CO 0.23 -0.27 0.79 0.54 -2.21 0.00 0.00 174.62 173.70 1j04 n ARG 71 N -0.23 1.67 -1.71 7.08 3.00 -1.26 -4.65 116.66 120.55 1j04 n ARG 71 Ca -0.07 -1.10 -0.57 0.00 -0.01 0.00 0.00 57.85 56.10 1j04 n ARG 71 Cb 0.63 -0.91 -0.07 0.00 0.00 0.00 0.00 32.46 32.11 1j04 n ARG 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1j04 n ASN 72 N -0.31 2.47 0.25 0.55 5.03 -1.26 -4.81 115.26 117.18 1j04 n ASN 72 Ca 0.00 1.07 0.10 0.00 0.87 0.00 0.00 54.58 56.62 1j04 n ASN 72 Cb 0.24 -1.16 0.67 0.00 -1.02 0.00 0.00 39.78 38.51 1j04 n ASN 72 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1j04 h PRO 73 N 7.35 0.00 -4.32 3.52 0.11 -1.97 -3.29 132.00 133.40 1j04 h PRO 73 Ca -0.47 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 64.89 1j04 h PRO 73 Cb 1.31 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.23 1j04 h PRO 73 CO 0.96 0.12 1.23 -0.11 -0.21 0.00 0.00 178.00 179.99 1j04 n LEU 74 N -3.98 5.48 -3.83 2.35 7.94 -1.26 -4.77 117.00 118.93 1j04 n LEU 74 Ca -0.02 -4.62 -0.18 0.00 -1.11 0.00 0.00 56.01 50.07 1j04 n LEU 74 Cb 0.21 -1.57 -0.16 0.00 0.53 0.00 0.00 43.42 42.43 1j04 n LEU 74 CO 0.32 0.95 -0.38 -0.89 -1.11 0.00 0.00 177.39 176.29 1j04 s THR 75 N 0.72 0.26 0.30 1.96 2.01 -1.24 -0.47 115.64 119.18 1j04 s THR 75 Ca 0.40 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 1j04 s THR 75 Cb -0.03 -0.35 0.05 0.00 0.01 0.00 0.00 72.50 72.19 1j04 s THR 75 CO -0.01 0.17 0.83 -1.48 -0.69 0.00 0.00 174.62 173.44 1j04 s LEU 76 N 1.11 -0.08 -0.13 4.42 0.05 -0.41 -4.89 118.68 118.74 1j04 s LEU 76 Ca -0.09 -0.86 -0.11 0.00 0.05 0.00 0.00 54.13 53.12 1j04 s LEU 76 Cb -0.14 2.63 -0.05 0.00 -2.05 0.00 0.00 46.19 46.59 1j04 s LEU 76 CO -0.02 -1.41 0.24 -0.69 -0.55 0.00 0.00 176.35 173.92 1j04 s VAL 77 N -2.82 5.34 -0.17 1.48 1.01 -1.26 -1.60 120.40 122.37 1j04 s VAL 77 Ca 0.15 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 1j04 s VAL 77 Cb -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1j04 s VAL 77 CO 0.08 0.49 0.31 -0.63 0.00 0.00 0.00 175.10 175.36 1j04 s ILE 78 N -0.18 5.28 -0.84 2.22 -1.09 0.82 -4.95 121.20 122.47 1j04 s ILE 78 Ca 0.15 0.58 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 1j04 s ILE 78 Cb -0.13 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1j04 s ILE 78 CO 0.04 0.35 2.18 -1.20 -1.23 0.00 0.00 174.94 175.09 1j04 n SER 79 N 3.81 4.90 -3.45 3.58 7.64 -1.26 -2.16 113.62 126.68 1j04 n SER 79 Ca -0.11 -2.30 -0.04 0.00 1.01 0.00 0.00 58.87 57.43 1j04 n SER 79 Cb 0.52 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.64 1j04 n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1j04 s GLY 80 N 3.22 0.03 1.19 0.23 0.00 -0.98 -4.96 107.32 106.05 1j04 s GLY 80 Ca 0.41 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 1j04 s GLY 80 CO -0.03 1.12 1.17 -1.35 0.00 0.00 0.00 173.10 174.01 1j04 s SER 81 N -3.18 1.07 0.27 1.64 1.04 -1.21 -2.09 113.70 111.23 1j04 s SER 81 Ca 0.17 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1j04 s SER 81 Cb -0.03 -0.49 0.57 0.00 0.10 0.00 0.00 66.02 66.18 1j04 s SER 81 CO 0.05 -4.01 1.76 1.23 0.98 0.00 0.00 173.24 173.25 1j04 h GLY 82 N -2.51 1.44 0.47 7.32 0.00 -1.89 -0.46 103.07 107.45 1j04 h GLY 82 Ca -0.43 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 46.72 1j04 h GLY 82 CO 0.29 -0.06 0.14 0.45 0.00 0.00 0.00 176.54 177.36 1j04 h HIS 83 N 0.62 0.24 -0.35 5.60 -0.00 -1.98 -1.19 115.15 118.09 1j04 h HIS 83 Ca 0.48 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.92 1j04 h HIS 83 Cb 0.72 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 1j04 h HIS 83 CO -0.09 0.05 0.23 0.00 -0.00 0.00 0.00 177.93 178.13 1j04 h ALA 85 N 1.81 0.81 -0.34 0.00 0.00 -0.94 -1.46 119.26 119.15 1j04 h ALA 85 Ca 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1j04 h ALA 85 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j04 h ALA 85 CO -0.03 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.22 1j04 h LEU 86 N 0.44 0.50 -0.57 0.00 5.85 -0.86 -2.10 115.31 118.57 1j04 h LEU 86 Ca 0.03 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 1j04 h LEU 86 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1j04 h LEU 86 CO 0.09 0.58 0.05 -0.33 -0.34 0.00 0.00 178.44 178.49 1j04 h GLU 87 N 0.39 0.97 -0.63 1.25 5.08 -1.24 -0.28 114.58 120.11 1j04 h GLU 87 Ca 0.11 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1j04 h GLU 87 Cb 0.27 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1j04 h GLU 87 CO -0.00 0.94 0.42 0.00 -1.00 0.00 0.00 179.01 179.37 1j04 h ALA 88 N 0.98 1.66 0.05 3.43 0.00 -1.13 0.29 119.26 124.54 1j04 h ALA 88 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j04 h ALA 88 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j04 h ALA 88 CO 0.02 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 1j04 h ALA 89 N 1.63 -0.07 -0.49 0.00 0.00 -0.93 -3.12 119.26 116.29 1j04 h ALA 89 Ca 0.25 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1j04 h ALA 89 Cb 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1j04 h ALA 89 CO -0.07 -0.20 0.06 -0.07 0.00 0.00 0.00 179.25 178.98 1j04 h LEU 90 N -0.75 0.79 -1.37 0.00 3.38 -0.73 -1.98 115.31 114.65 1j04 h LEU 90 Ca -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1j04 h LEU 90 Cb 0.63 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1j04 h LEU 90 CO 0.01 0.86 -0.08 0.58 0.09 0.00 0.00 178.44 179.91 1j04 h VAL 91 N 0.69 0.21 0.00 1.22 2.07 -0.57 -0.69 116.25 119.18 1j04 h VAL 91 Ca 0.15 -0.71 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 1j04 h VAL 91 Cb 0.42 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1j04 h VAL 91 CO 0.01 0.08 -1.95 0.59 0.02 0.00 0.00 177.57 176.33 1j04 n ASN 92 N -3.22 0.30 -0.04 0.57 3.02 -1.18 -4.55 115.26 110.17 1j04 n ASN 92 Ca 0.00 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 1j04 n ASN 92 Cb 0.34 0.96 -0.13 0.00 -0.61 0.00 0.00 39.78 40.35 1j04 n ASN 92 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j04 n VAL 93 N -2.67 1.68 -3.26 2.41 0.31 -0.75 -4.38 118.33 111.67 1j04 n VAL 93 Ca -0.17 -0.53 -0.39 0.00 -0.01 0.00 0.00 64.34 63.24 1j04 n VAL 93 Cb 0.89 -1.74 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1j04 n VAL 93 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1j04 s LEU 94 N -7.11 4.15 0.16 7.52 1.43 -0.27 -4.86 118.68 119.71 1j04 s LEU 94 Ca -0.26 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1j04 s LEU 94 Cb 0.07 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 1j04 s LEU 94 CO 0.70 -0.16 0.43 -1.61 0.23 0.00 0.00 176.35 175.93 1j04 s GLU 95 N 1.57 3.68 -0.30 1.70 2.02 -1.26 -4.74 118.70 121.36 1j04 s GLU 95 Ca 0.24 0.04 -0.38 0.00 0.02 0.00 0.00 54.97 54.89 1j04 s GLU 95 Cb -0.15 -2.81 -0.13 0.00 0.10 0.00 0.00 34.13 31.14 1j04 s GLU 95 CO 0.10 0.43 1.98 -2.30 0.02 0.00 0.00 175.26 175.49 1j04 n PRO 96 N 0.10 1.17 0.00 0.39 -0.02 -1.26 -1.51 135.00 133.88 1j04 n PRO 96 Ca -0.02 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1j04 n PRO 96 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1j04 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j04 n GLY 97 N 5.46 1.11 0.00 -1.23 0.00 0.21 -4.95 105.19 105.79 1j04 n GLY 97 Ca 0.34 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.41 1j04 n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j04 n ASP 98 N 0.00 0.00 -2.63 1.61 8.00 -0.57 -4.51 116.55 118.45 1j04 n ASP 98 Ca 0.00 -1.41 -0.03 0.00 0.71 0.00 0.00 54.79 54.06 1j04 n ASP 98 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1j04 n ASP 98 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1j04 n SER 99 N -0.68 -3.65 -4.25 -2.24 2.88 -1.21 -3.45 113.62 101.01 1j04 n SER 99 Ca 0.07 1.32 -0.34 0.00 -1.33 0.00 0.00 58.87 58.60 1j04 n SER 99 Cb 0.03 -4.04 -0.15 0.00 -0.75 0.00 0.00 64.21 59.31 1j04 n SER 99 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1j04 s PHE 100 N -0.43 2.84 -0.21 0.66 5.36 0.26 -1.76 117.98 124.70 1j04 s PHE 100 Ca -0.15 -1.11 -0.16 0.00 -0.96 0.00 0.00 56.93 54.54 1j04 s PHE 100 Cb 0.01 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 1j04 s PHE 100 CO 0.40 -0.55 0.42 -1.17 -1.46 0.00 0.00 175.22 172.86 1j04 s LEU 101 N 1.11 4.13 -0.05 6.12 2.96 -0.05 -0.37 118.68 132.52 1j04 s LEU 101 Ca 0.00 0.51 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1j04 s LEU 101 Cb -0.14 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 1j04 s LEU 101 CO -0.04 -0.12 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.97 1j04 s VAL 102 N 1.52 1.80 -0.95 1.68 1.01 -0.56 -0.80 120.40 124.10 1j04 s VAL 102 Ca 0.19 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1j04 s VAL 102 Cb -0.15 -1.53 0.16 0.00 0.00 0.00 0.00 36.38 34.86 1j04 s VAL 102 CO 0.08 0.51 1.08 -0.83 0.00 0.00 0.00 175.10 175.94 1j04 s GLY 103 N -0.06 2.22 -1.32 4.51 0.00 -0.87 0.32 107.32 112.12 1j04 s GLY 103 Ca -0.04 -3.02 -0.12 0.00 0.00 0.00 0.00 44.72 41.53 1j04 s GLY 103 CO 0.03 1.81 1.89 0.00 0.00 0.00 0.00 173.10 176.83 1j04 n ALA 104 N 5.66 4.99 -0.54 3.20 0.00 -1.03 -4.39 120.51 128.40 1j04 n ALA 104 Ca 0.23 -4.14 0.08 0.00 0.00 0.00 0.00 53.44 49.61 1j04 n ALA 104 Cb 0.47 -3.21 0.26 0.00 0.00 0.00 0.00 19.45 16.97 1j04 n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1j04 n ASN 105 N 5.21 3.84 -0.59 0.00 6.94 -1.26 -3.18 115.26 126.22 1j04 n ASN 105 Ca 0.44 -2.41 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 1j04 n ASN 105 Cb 0.39 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1j04 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j04 n GLY 106 N 0.52 1.80 0.14 4.83 0.00 -1.26 -4.44 105.19 106.77 1j04 n GLY 106 Ca 0.19 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1j04 n GLY 106 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j04 h ILE 107 N 0.59 1.39 -0.02 -0.61 2.10 -1.94 -3.25 117.51 115.78 1j04 h ILE 107 Ca 0.00 -2.10 -0.00 0.00 1.08 0.00 0.00 64.86 63.84 1j04 h ILE 107 Cb 0.00 2.14 -0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1j04 h ILE 107 CO 0.00 0.59 0.01 -0.50 -1.08 0.00 0.00 178.15 177.17 1j04 h TRP 108 N 0.00 0.03 -0.55 2.19 -0.00 -1.96 0.67 115.95 116.33 1j04 h TRP 108 Ca -0.01 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1j04 h TRP 108 Cb 1.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 30.22 1j04 h TRP 108 CO 0.00 0.24 0.37 0.78 -0.00 0.00 0.00 178.44 179.82 1j04 h GLY 109 N -0.18 0.74 1.40 1.49 0.00 -1.77 0.29 103.07 105.04 1j04 h GLY 109 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1j04 h GLY 109 CO -0.00 0.24 -0.15 1.46 0.00 0.00 0.00 176.54 178.08 1j04 h GLN 110 N 0.67 0.70 -0.50 4.80 4.20 -1.50 0.12 115.11 123.60 1j04 h GLN 110 Ca 0.22 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1j04 h GLN 110 Cb 0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1j04 h GLN 110 CO -0.05 0.82 -0.17 0.00 -0.67 0.00 0.00 178.83 178.76 1j04 h ARG 111 N 0.63 0.99 -0.76 1.46 2.47 0.16 -0.43 114.38 118.90 1j04 h ARG 111 Ca 0.10 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.39 1j04 h ARG 111 Cb 0.62 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1j04 h ARG 111 CO 0.04 1.08 0.36 0.00 0.56 0.00 0.00 179.97 182.01 1j04 h ALA 112 N 0.88 0.98 0.56 0.04 0.00 0.14 -1.28 119.26 120.58 1j04 h ALA 112 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j04 h ALA 112 Cb 0.74 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1j04 h ALA 112 CO 0.06 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.88 1j04 h VAL 113 N 1.07 0.40 -0.74 0.00 2.07 -0.44 -0.32 116.25 118.29 1j04 h VAL 113 Ca 0.26 -0.23 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1j04 h VAL 113 Cb 0.13 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.25 1j04 h VAL 113 CO -0.03 0.03 -0.11 -0.78 0.02 0.00 0.00 177.57 176.71 1j04 h ASP 114 N -0.91 -0.55 0.40 0.57 -0.00 -0.93 0.30 116.42 115.30 1j04 h ASP 114 Ca -0.08 0.21 -0.02 0.00 -0.00 0.00 0.00 57.03 57.15 1j04 h ASP 114 Cb 0.63 0.41 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 1j04 h ASP 114 CO 0.13 -0.22 -0.19 0.40 -0.00 0.00 0.00 179.24 179.35 1j04 h ILE 115 N 0.04 0.60 -0.98 2.25 2.04 -1.11 -1.37 117.51 118.98 1j04 h ILE 115 Ca 0.38 -0.30 0.14 0.00 1.00 0.00 0.00 64.86 66.08 1j04 h ILE 115 Cb 0.62 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1j04 h ILE 115 CO -0.72 0.06 0.62 1.23 0.00 0.00 0.00 178.15 179.33 1j04 h GLY 116 N -0.71 1.57 0.95 5.37 0.00 -0.02 0.17 103.07 110.40 1j04 h GLY 116 Ca -0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1j04 h GLY 116 CO 0.09 0.11 0.17 0.83 0.00 0.00 0.00 176.54 177.74 1j04 h GLU 117 N 0.89 0.66 -0.49 4.80 5.08 -0.30 -1.59 114.58 123.63 1j04 h GLU 117 Ca 0.50 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1j04 h GLU 117 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1j04 h GLU 117 CO -0.27 0.62 0.28 0.00 -1.00 0.00 0.00 179.01 178.63 1j04 h ARG 118 N 0.56 0.67 -0.75 2.33 3.08 0.14 -1.29 114.38 119.12 1j04 h ARG 118 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1j04 h ARG 118 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1j04 h ARG 118 CO -0.01 0.49 0.01 0.44 -1.07 0.00 0.00 179.97 179.83 1j04 n ILE 119 N -4.42 1.75 -3.47 2.04 -5.35 -0.31 -4.94 119.36 104.66 1j04 n ILE 119 Ca 0.04 -0.88 -0.20 0.00 -0.27 0.00 0.00 62.75 61.44 1j04 n ILE 119 Cb 0.09 -0.38 0.06 0.00 -1.74 0.00 0.00 39.64 37.68 1j04 n ILE 119 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j04 n GLY 120 N 0.36 -0.75 3.52 3.28 0.00 -0.49 -4.24 105.19 106.87 1j04 n GLY 120 Ca 0.18 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 1j04 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j04 s ALA 121 N -3.46 2.79 -0.77 4.61 0.00 -0.63 0.64 121.76 124.94 1j04 s ALA 121 Ca 0.25 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 1j04 s ALA 121 Cb -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1j04 s ALA 121 CO 0.78 0.61 1.62 -0.98 0.00 0.00 0.00 175.76 177.79 1j04 s ARG 122 N -2.08 2.95 -0.14 0.00 1.70 -1.26 -4.56 118.95 115.56 1j04 s ARG 122 Ca 0.19 -0.11 -0.18 0.00 -0.47 0.00 0.00 55.73 55.16 1j04 s ARG 122 Cb -0.11 -4.60 -0.04 0.00 -0.57 0.00 0.00 34.95 29.64 1j04 s ARG 122 CO 0.11 -2.57 0.50 0.08 -1.08 0.00 0.00 175.30 172.34 1j04 s VAL 123 N 7.50 5.16 -0.33 4.99 1.01 -1.26 0.92 120.40 138.38 1j04 s VAL 123 Ca 0.54 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1j04 s VAL 123 Cb -0.08 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.56 1j04 s VAL 123 CO 0.10 0.28 0.04 -1.00 0.00 0.00 0.00 175.10 174.52 1j04 s HIS 124 N 0.93 3.62 0.02 5.22 3.76 0.50 -4.92 115.29 124.41 1j04 s HIS 124 Ca 0.26 -2.71 -0.29 0.00 -0.15 0.00 0.00 55.06 52.17 1j04 s HIS 124 Cb -0.15 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 1j04 s HIS 124 CO 0.10 -0.93 0.91 -2.14 -0.85 0.00 0.00 174.74 171.84 1j04 s PRO 125 N 1.00 4.57 -1.00 8.40 0.02 -1.26 -1.50 135.00 145.22 1j04 s PRO 125 Ca 0.06 1.31 -0.09 0.00 0.02 0.00 0.00 61.00 62.30 1j04 s PRO 125 Cb -0.20 -3.43 0.25 0.00 0.02 0.00 0.00 34.50 31.14 1j04 s PRO 125 CO -0.06 0.06 0.96 -1.64 -0.33 0.00 0.00 177.00 175.98 1j04 s MET 126 N 0.66 3.87 1.03 5.54 -1.94 0.15 -4.94 119.30 123.66 1j04 s MET 126 Ca 0.47 -3.04 -0.12 0.00 -1.71 0.00 0.00 55.69 51.30 1j04 s MET 126 Cb -0.21 -4.40 0.21 0.00 2.01 0.00 0.00 34.83 32.43 1j04 s MET 126 CO 0.26 -1.25 1.08 0.99 -0.01 0.00 0.00 175.02 176.09 1j04 s THR 127 N -0.92 2.21 -0.30 2.05 2.01 -1.26 -2.45 115.64 116.97 1j04 s THR 127 Ca 0.27 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 1j04 s THR 127 Cb -0.10 -2.26 0.20 0.00 0.01 0.00 0.00 72.50 70.36 1j04 s THR 127 CO -0.09 -0.09 1.38 -0.54 -0.69 0.00 0.00 174.62 174.60 1j04 s LYS 128 N -4.66 0.04 0.69 4.92 1.02 -1.19 -4.89 119.74 115.66 1j04 s LYS 128 Ca 0.66 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.54 1j04 s LYS 128 Cb -0.22 0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1j04 s LYS 128 CO 0.61 -0.01 1.04 -0.25 -0.92 0.00 0.00 175.35 175.82 1j04 n ASP 129 N 2.18 0.87 -4.75 2.83 8.00 -1.26 -4.51 116.55 119.92 1j04 n ASP 129 Ca -0.13 0.72 -0.42 0.00 0.71 0.00 0.00 54.79 55.67 1j04 n ASP 129 Cb 0.57 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.22 1j04 n ASP 129 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1j04 n PRO 130 N -1.77 2.65 0.00 -0.24 -0.04 -1.26 -2.40 135.00 131.94 1j04 n PRO 130 Ca 0.14 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1j04 n PRO 130 Cb 0.49 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1j04 n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j04 n GLY 131 N 1.54 2.43 3.92 0.55 0.00 -1.26 -5.09 105.19 107.28 1j04 n GLY 131 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1j04 n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j04 s GLY 132 N -2.26 1.46 0.14 -0.02 0.00 -1.01 -4.87 107.32 100.77 1j04 s GLY 132 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1j04 s GLY 132 CO 0.00 -0.58 0.03 -2.39 0.00 0.00 0.00 173.10 170.16 1j04 n HIS 133 N -2.11 0.18 -5.06 1.90 1.44 -1.26 -4.90 115.22 105.41 1j04 n HIS 133 Ca -0.01 -0.83 -0.32 0.00 -2.01 0.00 0.00 57.72 54.55 1j04 n HIS 133 Cb 0.56 -0.04 -0.16 0.00 0.12 0.00 0.00 29.99 30.47 1j04 n HIS 133 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1j04 s TYR 134 N -1.86 2.62 0.71 -1.40 1.51 -1.26 -5.10 117.35 112.57 1j04 s TYR 134 Ca 0.04 -0.72 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 1j04 s TYR 134 Cb 0.00 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1j04 s TYR 134 CO 0.03 -0.22 1.09 0.95 -1.11 0.00 0.00 175.55 176.29 1j04 s THR 135 N 0.06 3.52 0.33 -0.71 -4.23 -1.26 -4.86 115.64 108.49 1j04 s THR 135 Ca -0.08 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1j04 s THR 135 Cb -0.15 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.32 1j04 s THR 135 CO 0.05 -0.65 1.79 -0.07 -0.54 0.00 0.00 174.62 175.21 1j04 h LEU 136 N -0.68 0.27 0.27 4.79 4.07 -1.97 -3.15 115.31 118.91 1j04 h LEU 136 Ca -0.45 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.41 1j04 h LEU 136 Cb 1.25 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1j04 h LEU 136 CO 0.63 0.55 -0.13 1.56 -1.08 0.00 0.00 178.44 179.97 1j04 h GLN 137 N 0.24 -0.35 -1.81 1.13 4.20 -2.01 -3.00 115.11 113.51 1j04 h GLN 137 Ca 0.04 0.02 0.52 0.00 0.06 0.00 0.00 58.65 59.30 1j04 h GLN 137 Cb 0.61 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 1j04 h GLN 137 CO 0.04 -0.24 1.30 0.93 -0.67 0.00 0.00 178.83 180.20 1j04 h GLU 138 N -0.42 0.00 0.04 1.46 5.08 -1.94 0.28 114.58 119.09 1j04 h GLU 138 Ca -0.04 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1j04 h GLU 138 Cb 0.28 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1j04 h GLU 138 CO 0.06 0.00 -1.06 0.28 -1.00 0.00 0.00 179.01 177.29 1j04 h VAL 139 N 0.00 1.38 -0.94 3.13 2.07 -1.49 -3.15 116.25 117.25 1j04 h VAL 139 Ca 0.86 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1j04 h VAL 139 Cb 3.45 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 35.73 1j04 h VAL 139 CO -0.01 0.75 0.58 -0.33 0.02 0.00 0.00 177.57 178.58 1j04 h GLU 140 N 0.24 1.26 0.06 1.57 5.08 -0.30 0.36 114.58 122.85 1j04 h GLU 140 Ca -0.12 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1j04 h GLU 140 Cb 1.72 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1j04 h GLU 140 CO 0.19 0.87 -0.17 0.93 -1.00 0.00 0.00 179.01 179.83 1j04 h GLU 141 N 1.28 -0.31 -0.13 2.33 5.08 -1.58 0.64 114.58 121.90 1j04 h GLU 141 Ca 0.34 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1j04 h GLU 141 Cb -0.08 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1j04 h GLU 141 CO -0.07 -0.20 -0.08 0.78 -1.00 0.00 0.00 179.01 178.43 1j04 h GLY 142 N -0.32 0.03 0.75 -3.84 0.00 -1.32 0.39 103.07 98.75 1j04 h GLY 142 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.53 1j04 h GLY 142 CO -0.12 -0.10 0.62 1.41 0.00 0.00 0.00 176.54 178.35 1j04 h LEU 143 N -0.09 1.00 -0.05 3.11 3.38 0.30 -1.28 115.31 121.68 1j04 h LEU 143 Ca 0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1j04 h LEU 143 Cb 0.20 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1j04 h LEU 143 CO -0.18 0.64 -0.41 0.00 0.09 0.00 0.00 178.44 178.58 1j04 h ALA 144 N 1.44 0.12 0.00 1.53 0.00 0.82 0.19 119.26 123.35 1j04 h ALA 144 Ca 0.42 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j04 h ALA 144 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j04 h ALA 144 CO -0.17 0.25 -0.08 1.96 0.00 0.00 0.00 179.25 181.21 1j04 h GLN 145 N -0.13 0.00 0.00 0.00 4.20 0.01 -3.33 115.11 115.85 1j04 h GLN 145 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1j04 h GLN 145 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1j04 h GLN 145 CO 0.08 0.08 0.00 0.72 -0.67 0.00 0.00 178.83 179.04 1j04 n HIS 146 N -3.37 0.00 -3.97 2.96 8.25 -0.50 -5.04 115.22 113.54 1j04 n HIS 146 Ca -0.01 -0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.10 1j04 n HIS 146 Cb 0.24 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1j04 n HIS 146 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j04 n LYS 147 N -0.03 -0.60 -1.94 -0.41 5.02 0.66 -4.84 118.16 116.02 1j04 n LYS 147 Ca 0.00 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 1j04 n LYS 147 Cb 0.21 -2.08 0.04 0.00 -0.02 0.00 0.00 35.03 33.19 1j04 n LYS 147 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1j04 s PRO 148 N -6.74 2.92 0.06 1.97 0.02 -1.26 -4.95 135.00 127.02 1j04 s PRO 148 Ca 0.24 1.91 0.17 0.00 0.02 0.00 0.00 61.00 63.34 1j04 s PRO 148 Cb -0.13 -1.95 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1j04 s PRO 148 CO 0.76 -1.27 0.81 1.55 -0.33 0.00 0.00 177.00 178.52 1j04 n VAL 149 N -1.58 1.12 -3.94 3.83 3.14 -0.72 -4.52 118.33 115.66 1j04 n VAL 149 Ca 0.14 -0.68 -0.13 0.00 -2.96 0.00 0.00 64.34 60.71 1j04 n VAL 149 Cb 0.49 -0.69 -0.14 0.00 -1.06 0.00 0.00 33.84 32.44 1j04 n VAL 149 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1j04 s LEU 150 N -5.71 2.01 -0.05 6.55 2.96 -1.25 -1.40 118.68 121.79 1j04 s LEU 150 Ca -0.03 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1j04 s LEU 150 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.71 1j04 s LEU 150 CO 0.81 -0.00 -0.25 -0.22 -1.32 0.00 0.00 176.35 175.38 1j04 s LEU 151 N -0.10 2.06 -0.08 -0.68 2.96 -0.11 -0.88 118.68 121.86 1j04 s LEU 151 Ca -0.00 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1j04 s LEU 151 Cb -0.01 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1j04 s LEU 151 CO -0.00 0.25 -0.12 0.12 -1.32 0.00 0.00 176.35 175.28 1j04 s PHE 152 N -0.24 2.78 -0.05 5.38 5.36 0.02 -0.80 117.98 130.44 1j04 s PHE 152 Ca -0.01 -0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 55.66 1j04 s PHE 152 Cb -0.13 -1.72 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1j04 s PHE 152 CO 0.03 0.08 0.11 -0.51 -1.46 0.00 0.00 175.22 173.47 1j04 s LEU 153 N -0.38 1.09 -0.31 6.12 1.43 -0.18 -2.06 118.68 124.40 1j04 s LEU 153 Ca 0.04 0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1j04 s LEU 153 Cb -0.12 0.27 -0.00 0.00 0.03 0.00 0.00 46.19 46.37 1j04 s LEU 153 CO 0.02 -0.11 0.75 -0.89 0.23 0.00 0.00 176.35 176.35 1j04 s THR 154 N 0.77 4.82 0.00 5.49 2.01 -1.26 -1.25 115.64 126.23 1j04 s THR 154 Ca -0.06 1.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.77 1j04 s THR 154 Cb -0.08 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.18 1j04 s THR 154 CO -0.03 -0.24 0.98 -0.74 -0.69 0.00 0.00 174.62 173.89 1j04 h HIS 155 N 8.18 -0.77 -3.55 4.92 2.76 -1.55 -3.39 115.15 121.74 1j04 h HIS 155 Ca -0.25 -0.02 -0.69 0.00 -2.20 0.00 0.00 60.37 57.22 1j04 h HIS 155 Cb 1.10 0.26 -0.36 0.00 1.55 0.00 0.00 27.41 29.96 1j04 h HIS 155 CO 0.77 -0.48 -0.60 0.20 -1.30 0.00 0.00 177.93 176.53 1j04 s GLY 156 N -2.52 1.97 -0.87 5.26 0.00 -1.25 -0.53 107.32 109.38 1j04 s GLY 156 Ca -0.12 -2.50 -0.25 0.00 0.00 0.00 0.00 44.72 41.85 1j04 s GLY 156 CO 0.37 0.99 1.81 -0.54 0.00 0.00 0.00 173.10 175.73 1j04 s GLU 157 N 1.09 2.78 0.14 2.90 0.41 -0.46 -4.47 118.70 121.09 1j04 s GLU 157 Ca 0.08 -0.28 0.16 0.00 -0.41 0.00 0.00 54.97 54.52 1j04 s GLU 157 Cb -0.22 -4.96 0.73 0.00 -1.78 0.00 0.00 34.13 27.90 1j04 s GLU 157 CO -0.05 -3.00 1.50 -1.13 -0.49 0.00 0.00 175.26 172.10 1j04 n SER 158 N 12.63 0.31 0.06 -0.19 3.41 -1.26 0.51 113.62 129.08 1j04 n SER 158 Ca 0.34 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.44 1j04 n SER 158 Cb 0.49 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 1j04 n SER 158 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1j04 h SER 159 N 0.00 0.13 0.00 4.04 0.87 -1.90 -3.39 113.55 113.30 1j04 h SER 159 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1j04 h SER 159 Cb 0.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1j04 h SER 159 CO 0.00 1.13 -0.60 0.35 -0.53 0.00 0.00 176.83 177.18 1j04 n THR 160 N -3.36 0.00 -0.33 2.23 -2.24 -0.81 -4.38 114.28 105.39 1j04 n THR 160 Ca -0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1j04 n THR 160 Cb 0.99 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1j04 n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j04 n GLY 161 N 1.82 0.68 3.80 3.38 0.00 0.18 -4.55 105.19 110.50 1j04 n GLY 161 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1j04 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j04 s VAL 162 N -2.67 4.23 -0.17 1.61 1.01 -1.21 0.25 120.40 123.44 1j04 s VAL 162 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1j04 s VAL 162 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1j04 s VAL 162 CO 0.00 -0.05 -0.18 -0.22 0.00 0.00 0.00 175.10 174.65 1j04 s LEU 163 N -2.54 2.26 0.11 3.92 2.96 0.28 -1.36 118.68 124.31 1j04 s LEU 163 Ca 0.55 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.63 1j04 s LEU 163 Cb -0.15 -1.51 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 1j04 s LEU 163 CO 0.20 0.02 0.74 -1.10 -1.32 0.00 0.00 176.35 174.90 1j04 s GLN 164 N 1.16 4.49 0.14 1.98 -1.52 0.31 -4.75 119.66 121.46 1j04 s GLN 164 Ca 0.01 1.06 -0.29 0.00 -1.95 0.00 0.00 55.36 54.20 1j04 s GLN 164 Cb -0.14 -3.30 -0.07 0.00 -0.22 0.00 0.00 33.01 29.28 1j04 s GLN 164 CO -0.08 0.47 0.90 -2.14 -0.25 0.00 0.00 175.29 174.19 1j04 s PRO 165 N -0.72 4.69 0.00 2.91 0.02 -1.26 -4.92 135.00 135.73 1j04 s PRO 165 Ca 0.36 1.36 0.11 0.00 0.02 0.00 0.00 61.00 62.85 1j04 s PRO 165 Cb -0.22 -3.34 0.04 0.00 0.02 0.00 0.00 34.50 31.00 1j04 s PRO 165 CO 0.24 0.35 0.74 1.28 -0.33 0.00 0.00 177.00 179.27 1j04 n LEU 166 N 2.31 1.53 -4.75 -5.54 4.77 -1.26 -5.00 117.00 109.07 1j04 n LEU 166 Ca -0.01 -0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 54.70 1j04 n LEU 166 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1j04 n LEU 166 CO 0.50 0.30 1.04 -1.81 -1.33 0.00 0.00 177.39 176.09 1j04 s ASP 167 N -1.21 6.75 0.00 -1.43 1.01 -1.26 -3.09 116.67 117.44 1j04 s ASP 167 Ca 0.11 2.60 0.00 0.00 0.71 0.00 0.00 52.55 55.96 1j04 s ASP 167 Cb 0.09 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1j04 s ASP 167 CO 0.21 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1j04 n GLY 168 N 1.94 2.02 0.23 0.21 0.00 -1.26 -4.92 105.19 103.41 1j04 n GLY 168 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1j04 n GLY 168 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1j04 h PHE 169 N 0.00 0.00 0.02 1.61 -1.00 -1.86 -2.20 116.94 113.51 1j04 h PHE 169 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1j04 h PHE 169 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1j04 h PHE 169 CO 0.00 0.15 -0.02 0.00 -1.61 0.00 0.00 178.31 176.83 1j04 h ARG 170 N 0.00 -0.04 0.00 1.51 3.08 -1.81 0.47 114.38 117.59 1j04 h ARG 170 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j04 h ARG 170 Cb 0.82 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1j04 h ARG 170 CO 0.02 -0.03 0.00 0.39 -1.07 0.00 0.00 179.97 179.28 1j04 n GLU 171 N -2.29 0.00 0.15 0.04 4.71 -1.18 -0.29 120.64 121.79 1j04 n GLU 171 Ca -0.00 0.30 -0.17 0.00 -0.01 0.00 0.00 57.16 57.27 1j04 n GLU 171 Cb 0.02 -0.46 -0.10 0.00 -1.01 0.00 0.00 31.44 29.89 1j04 n GLU 171 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1j04 h LEU 172 N 0.00 -1.51 -1.68 -4.62 5.85 -1.40 -0.60 115.31 111.36 1j04 h LEU 172 Ca 0.00 0.15 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1j04 h LEU 172 Cb 0.00 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1j04 h LEU 172 CO 0.00 -0.57 0.46 0.00 -0.34 0.00 0.00 178.44 177.98 1j04 h HIS 174 N 0.33 0.69 0.00 0.00 -0.00 -0.32 0.45 115.15 116.30 1j04 h HIS 174 Ca 0.33 -0.41 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1j04 h HIS 174 Cb 0.82 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1j04 h HIS 174 CO -0.00 1.26 0.05 0.54 -0.00 0.00 0.00 177.93 179.78 1j04 n ARG 175 N -4.10 0.00 -0.13 5.26 1.74 -0.26 -0.71 116.66 118.45 1j04 n ARG 175 Ca -0.12 0.25 0.01 0.00 -0.77 0.00 0.00 57.85 57.22 1j04 n ARG 175 Cb 0.77 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.68 1j04 n ARG 175 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1j04 n TYR 176 N -1.21 0.00 -2.94 -1.55 4.02 -0.90 -5.00 117.16 109.58 1j04 n TYR 176 Ca 0.00 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.49 1j04 n TYR 176 Cb 0.05 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1j04 n TYR 176 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1j04 n LYS 177 N -0.26 -3.14 -4.26 -0.72 4.01 0.11 -4.92 118.16 108.98 1j04 n LYS 177 Ca 0.02 0.59 -0.34 0.00 -0.51 0.00 0.00 58.31 58.07 1j04 n LYS 177 Cb 0.52 -5.28 -0.11 0.00 -0.51 0.00 0.00 35.03 29.65 1j04 n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j04 s LEU 179 N 0.13 4.53 -0.32 0.00 1.43 -0.50 -4.44 118.68 119.52 1j04 s LEU 179 Ca 0.01 2.24 -0.10 0.00 -1.03 0.00 0.00 54.13 55.26 1j04 s LEU 179 Cb -0.13 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 1j04 s LEU 179 CO 0.02 -0.15 0.16 -0.22 0.23 0.00 0.00 176.35 176.39 1j04 s LEU 180 N -1.50 4.18 -0.25 1.79 2.96 -1.26 -0.93 118.68 123.67 1j04 s LEU 180 Ca 0.45 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1j04 s LEU 180 Cb -0.31 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1j04 s LEU 180 CO 0.40 -0.22 0.03 -0.22 -1.32 0.00 0.00 176.35 175.02 1j04 s LEU 181 N 1.60 3.31 -0.03 -0.68 2.96 0.02 -0.57 118.68 125.28 1j04 s LEU 181 Ca 0.04 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1j04 s LEU 181 Cb -0.17 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1j04 s LEU 181 CO 0.06 -0.05 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.11 1j04 s VAL 182 N 1.55 1.93 -0.29 1.68 1.01 -0.05 -1.01 120.40 125.21 1j04 s VAL 182 Ca 0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 1j04 s VAL 182 Cb -0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1j04 s VAL 182 CO 0.01 0.54 0.51 -0.62 0.00 0.00 0.00 175.10 175.54 1j04 s ASP 183 N -0.39 6.38 -0.19 3.32 -1.08 -0.38 -2.93 116.67 121.40 1j04 s ASP 183 Ca 0.04 0.31 0.13 0.00 -0.52 0.00 0.00 52.55 52.51 1j04 s ASP 183 Cb -0.11 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.51 1j04 s ASP 183 CO 0.01 -0.35 1.20 -1.54 0.52 0.00 0.00 175.17 175.01 1j04 n SER 184 N 5.61 2.05 -0.15 -0.34 3.41 0.61 -1.31 113.62 123.50 1j04 n SER 184 Ca -0.05 -3.51 -0.08 0.00 -0.26 0.00 0.00 58.87 54.98 1j04 n SER 184 Cb 0.50 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1j04 n SER 184 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1j04 h VAL 185 N 2.31 1.16 0.00 -3.33 2.07 -1.88 -1.23 116.25 115.36 1j04 h VAL 185 Ca 0.01 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1j04 h VAL 185 Cb 1.23 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1j04 h VAL 185 CO 0.13 0.17 -1.03 0.00 0.02 0.00 0.00 177.57 176.86 1j04 n ALA 186 N -2.27 2.51 -0.03 1.67 0.00 -1.26 -4.20 120.51 116.93 1j04 n ALA 186 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1j04 n ALA 186 Cb 0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1j04 n ALA 186 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j04 n SER 187 N -2.67 1.37 -4.67 0.00 3.41 -1.19 -4.75 113.62 105.11 1j04 n SER 187 Ca -0.00 0.24 -0.60 0.00 -0.26 0.00 0.00 58.87 58.24 1j04 n SER 187 Cb 0.56 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1j04 n SER 187 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1j04 n LEU 188 N -3.20 1.48 0.00 1.04 7.94 -0.47 -0.74 117.00 123.06 1j04 n LEU 188 Ca -0.27 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 1j04 n LEU 188 Cb 1.06 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1j04 n LEU 188 CO 0.42 -0.92 0.00 0.61 -1.11 0.00 0.00 177.39 176.39 1j04 n GLY 189 N 3.39 2.93 0.00 -3.96 0.00 -1.26 -4.44 105.19 101.85 1j04 n GLY 189 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1j04 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j04 n GLY 190 N -2.00 -0.39 3.33 -0.02 0.00 0.09 -4.13 105.19 102.07 1j04 n GLY 190 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1j04 n GLY 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j04 s THR 191 N -2.46 0.05 0.36 2.61 -4.23 -1.16 -4.44 115.64 106.37 1j04 s THR 191 Ca 0.03 -0.43 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 1j04 s THR 191 Cb 0.10 -0.96 -0.12 0.00 1.34 0.00 0.00 72.50 72.87 1j04 s THR 191 CO 0.58 -0.24 1.15 -2.65 -0.54 0.00 0.00 174.62 172.92 1j04 n PRO 192 N 0.48 1.72 -3.63 3.99 -0.02 -1.26 -4.81 135.00 131.47 1j04 n PRO 192 Ca -0.18 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1j04 n PRO 192 Cb 0.60 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1j04 n PRO 192 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j04 s LEU 193 N -0.62 -0.69 -0.29 2.45 2.96 -1.26 -5.07 118.68 116.16 1j04 s LEU 193 Ca 0.59 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 1j04 s LEU 193 Cb -0.59 2.29 0.14 0.00 0.50 0.00 0.00 46.19 48.54 1j04 s LEU 193 CO 0.60 -0.22 0.32 -0.31 -1.32 0.00 0.00 176.35 175.42 1j04 s TYR 194 N 0.48 -0.61 0.00 5.38 1.51 -1.26 -4.81 117.35 118.04 1j04 s TYR 194 Ca -0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1j04 s TYR 194 Cb -0.05 -0.37 0.00 0.00 -0.11 0.00 0.00 41.96 41.43 1j04 s TYR 194 CO -0.03 -0.93 0.80 -1.33 -1.11 0.00 0.00 175.55 172.96 1j04 n MET 195 N 5.32 0.00 0.03 -0.62 2.81 -0.90 -0.95 117.12 122.82 1j04 n MET 195 Ca -0.02 0.75 -0.10 0.00 -1.81 0.00 0.00 57.70 56.53 1j04 n MET 195 Cb 0.47 -1.30 -0.06 0.00 -0.71 0.00 0.00 33.22 31.62 1j04 n MET 195 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1j04 h ASP 196 N 0.00 -1.04 -0.98 7.83 5.19 -1.85 -0.01 116.42 125.56 1j04 h ASP 196 Ca 0.00 0.12 0.31 0.00 -0.62 0.00 0.00 57.03 56.84 1j04 h ASP 196 Cb 0.00 0.40 -0.15 0.00 0.18 0.00 0.00 39.33 39.75 1j04 h ASP 196 CO 0.00 -0.33 0.50 0.03 -3.12 0.00 0.00 179.24 176.32 1j04 h ARG 197 N -0.42 0.26 -0.30 3.56 3.08 -1.83 0.17 114.38 118.90 1j04 h ARG 197 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j04 h ARG 197 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1j04 h ARG 197 CO -0.23 0.17 0.00 1.04 -1.07 0.00 0.00 179.97 179.89 1j04 n GLN 198 N -5.11 2.14 -3.43 0.04 6.02 -0.13 -4.99 117.38 111.93 1j04 n GLN 198 Ca 0.30 -1.72 -0.19 0.00 -0.01 0.00 0.00 57.00 55.38 1j04 n GLN 198 Cb 0.95 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 30.83 1j04 n GLN 198 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j04 n GLY 199 N 1.32 -0.77 3.71 1.08 0.00 0.58 -4.20 105.19 106.92 1j04 n GLY 199 Ca 0.18 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 46.20 1j04 n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j04 s ILE 200 N -3.44 5.20 -0.02 -0.61 1.01 -0.86 -4.58 121.20 117.92 1j04 s ILE 200 Ca 0.26 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.96 1j04 s ILE 200 Cb -0.05 -3.35 -0.29 0.00 0.01 0.00 0.00 42.46 38.78 1j04 s ILE 200 CO 0.76 0.47 0.79 0.44 0.00 0.00 0.00 174.94 177.40 1j04 h ASP 201 N 6.48 0.47 -3.26 3.58 3.32 -1.19 -3.43 116.42 122.40 1j04 h ASP 201 Ca -0.41 -0.68 -0.43 0.00 0.02 0.00 0.00 57.03 55.53 1j04 h ASP 201 Cb 1.16 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 40.18 1j04 h ASP 201 CO 0.72 1.57 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.41 1j04 s ILE 202 N -2.60 0.33 -0.03 0.35 1.09 -0.68 0.01 121.20 119.67 1j04 s ILE 202 Ca -0.11 0.12 0.07 0.00 -1.10 0.00 0.00 60.65 59.63 1j04 s ILE 202 Cb 0.06 -0.52 -0.02 0.00 -1.06 0.00 0.00 42.46 40.93 1j04 s ILE 202 CO 0.85 0.23 -0.23 -0.22 -0.10 0.00 0.00 174.94 175.47 1j04 s LEU 203 N 1.99 2.04 -0.01 2.97 2.96 -0.72 -0.87 118.68 127.04 1j04 s LEU 203 Ca 0.05 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1j04 s LEU 203 Cb -0.12 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.36 1j04 s LEU 203 CO -0.05 0.27 0.26 -0.72 -1.32 0.00 0.00 176.35 174.79 1j04 s TYR 204 N -0.45 -0.11 0.20 5.38 -0.85 -1.15 -0.75 117.35 119.61 1j04 s TYR 204 Ca 0.06 0.14 -0.08 0.00 -0.52 0.00 0.00 57.07 56.68 1j04 s TYR 204 Cb -0.10 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1j04 s TYR 204 CO 0.00 -0.36 0.30 0.45 -1.52 0.00 0.00 175.55 174.41 1j04 s SER 205 N -1.35 0.04 0.52 -0.18 0.15 0.00 -0.28 113.70 112.59 1j04 s SER 205 Ca -0.14 -1.02 0.07 0.00 0.70 0.00 0.00 55.95 55.56 1j04 s SER 205 Cb -0.06 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1j04 s SER 205 CO 0.03 -0.95 0.72 -0.83 1.20 0.00 0.00 173.24 173.41 1j04 s GLY 206 N -3.03 1.83 -0.07 9.45 0.00 -1.26 0.30 107.32 114.55 1j04 s GLY 206 Ca 0.24 -1.83 0.21 0.00 0.00 0.00 0.00 44.72 43.34 1j04 s GLY 206 CO 0.06 -1.49 0.37 -1.14 0.00 0.00 0.00 173.10 170.90 1j04 n SER 207 N -2.14 0.12 -2.06 1.64 3.41 -1.13 -4.70 113.62 108.76 1j04 n SER 207 Ca 0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 1j04 n SER 207 Cb 0.60 1.74 -0.00 0.00 -0.26 0.00 0.00 64.21 66.29 1j04 n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j04 n GLN 208 N -2.36 1.95 0.12 4.33 0.00 -1.23 -1.26 117.38 118.93 1j04 n GLN 208 Ca -0.11 -1.69 0.04 0.00 0.00 0.00 0.00 57.00 55.24 1j04 n GLN 208 Cb 0.69 -1.76 0.20 0.00 0.00 0.00 0.00 30.24 29.37 1j04 n GLN 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j04 n ALA 210 N 0.68 0.48 0.22 2.61 0.00 -1.26 -2.17 120.51 121.07 1j04 n ALA 210 Ca 0.35 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.98 1j04 n ALA 210 Cb 0.59 -0.57 0.27 0.00 0.00 0.00 0.00 19.45 19.73 1j04 n ALA 210 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j04 h LEU 211 N 0.00 0.00 1.72 0.00 5.85 -1.84 -3.10 115.31 117.95 1j04 h LEU 211 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1j04 h LEU 211 Cb 0.72 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1j04 h LEU 211 CO 0.00 0.07 -0.36 0.59 -0.34 0.00 0.00 178.44 178.39 1j04 n ASN 212 N -3.13 -4.75 -4.99 1.25 5.03 -1.23 -4.80 115.26 102.64 1j04 n ASN 212 Ca 0.03 0.12 -0.19 0.00 0.87 0.00 0.00 54.58 55.41 1j04 n ASN 212 Cb 0.50 -3.79 -0.00 0.00 -1.02 0.00 0.00 39.78 35.47 1j04 n ASN 212 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1j04 s ALA 213 N -2.71 4.20 0.55 5.41 0.00 -0.39 -4.49 121.76 124.32 1j04 s ALA 213 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.35 1j04 s ALA 213 Cb 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1j04 s ALA 213 CO 0.00 -0.09 1.08 -1.25 0.00 0.00 0.00 175.76 175.50 1j04 s PRO 214 N -4.23 3.42 0.84 0.00 0.04 -1.26 -3.55 135.00 130.26 1j04 s PRO 214 Ca 0.46 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1j04 s PRO 214 Cb -0.10 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1j04 s PRO 214 CO 0.32 -0.75 1.17 -2.14 0.04 0.00 0.00 177.00 175.64 1j04 s PRO 215 N -3.60 1.48 0.00 0.56 0.02 -1.26 -4.39 135.00 127.81 1j04 s PRO 215 Ca 0.68 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1j04 s PRO 215 Cb -0.19 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1j04 s PRO 215 CO 0.29 -2.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.07 1j04 n GLY 216 N 0.18 1.19 3.46 0.52 0.00 -1.26 -5.00 105.19 104.27 1j04 n GLY 216 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1j04 n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j04 s THR 217 N -0.89 1.92 0.05 2.61 -4.23 -1.10 -2.32 115.64 111.68 1j04 s THR 217 Ca 0.00 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.17 1j04 s THR 217 Cb 0.00 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1j04 s THR 217 CO 0.00 -0.32 0.33 -0.94 -0.54 0.00 0.00 174.62 173.15 1j04 s SER 218 N -3.48 -0.15 0.04 3.99 1.04 -0.89 -2.83 113.70 111.41 1j04 s SER 218 Ca 0.30 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1j04 s SER 218 Cb 0.02 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1j04 s SER 218 CO 0.13 -0.65 0.14 -0.76 0.98 0.00 0.00 173.24 173.08 1j04 s LEU 219 N -2.15 4.10 -0.07 2.42 1.43 0.15 -0.12 118.68 124.43 1j04 s LEU 219 Ca -0.04 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 1j04 s LEU 219 Cb -0.00 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1j04 s LEU 219 CO -0.04 0.21 0.47 -0.51 0.23 0.00 0.00 176.35 176.72 1j04 s ILE 220 N -1.36 0.03 -0.09 -0.59 2.07 -0.63 -0.82 121.20 119.81 1j04 s ILE 220 Ca 0.29 -0.21 -0.07 0.00 -1.41 0.00 0.00 60.65 59.25 1j04 s ILE 220 Cb -0.12 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.73 1j04 s ILE 220 CO 0.21 -0.12 0.23 -0.55 -1.91 0.00 0.00 174.94 172.80 1j04 s SER 221 N -0.90 -0.24 -0.05 4.50 0.15 0.07 -1.29 113.70 115.94 1j04 s SER 221 Ca -0.10 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.08 1j04 s SER 221 Cb -0.03 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1j04 s SER 221 CO 0.05 -0.10 -0.22 -0.36 1.20 0.00 0.00 173.24 173.81 1j04 s PHE 222 N 0.40 2.49 0.88 3.44 0.40 0.38 -1.75 117.98 124.21 1j04 s PHE 222 Ca -0.02 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 1j04 s PHE 222 Cb -0.04 -1.59 0.12 0.00 0.51 0.00 0.00 43.02 42.03 1j04 s PHE 222 CO -0.02 -0.05 1.19 -1.54 0.70 0.00 0.00 175.22 175.50 1j04 s SER 223 N -0.44 3.88 0.30 1.36 1.04 0.10 -4.40 113.70 115.54 1j04 s SER 223 Ca 0.05 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 1j04 s SER 223 Cb -0.12 -1.19 0.47 0.00 0.10 0.00 0.00 66.02 65.29 1j04 s SER 223 CO 0.01 -2.30 1.95 0.44 0.98 0.00 0.00 173.24 174.33 1j04 h ASP 224 N -1.33 0.93 0.70 7.02 3.45 -1.97 -0.19 116.42 125.04 1j04 h ASP 224 Ca -0.47 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 1j04 h ASP 224 Cb 1.32 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1j04 h ASP 224 CO 0.59 0.65 -0.37 0.11 -1.57 0.00 0.00 179.24 178.66 1j04 h LYS 225 N 1.09 -0.95 -0.85 3.56 1.57 -1.94 -2.57 116.57 116.48 1j04 h LYS 225 Ca 0.33 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.39 1j04 h LYS 225 Cb -0.03 0.22 -0.14 0.00 0.08 0.00 0.00 32.23 32.36 1j04 h LYS 225 CO -0.09 -0.63 0.18 0.00 -0.57 0.00 0.00 179.45 178.34 1j04 h ALA 226 N -1.45 1.16 -0.13 3.86 0.00 -1.76 -2.20 119.26 118.75 1j04 h ALA 226 Ca -0.10 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j04 h ALA 226 Cb 0.77 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1j04 h ALA 226 CO 0.13 -0.45 -0.19 0.87 0.00 0.00 0.00 179.25 179.61 1j04 h LYS 227 N 0.19 -0.14 -0.83 0.00 1.57 -0.66 -2.51 116.57 114.20 1j04 h LYS 227 Ca 0.52 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.40 1j04 h LYS 227 Cb 1.02 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.24 1j04 h LYS 227 CO -0.66 -0.09 -0.53 0.87 -0.57 0.00 0.00 179.45 178.48 1j04 h LYS 228 N -0.14 -0.10 -0.11 3.15 1.57 -1.06 0.33 116.57 120.21 1j04 h LYS 228 Ca 0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1j04 h LYS 228 Cb 0.20 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1j04 h LYS 228 CO -0.19 -0.07 -0.07 1.63 -0.57 0.00 0.00 179.45 180.18 1j04 n LYS 229 N -5.34 -0.05 -0.33 3.15 4.76 -1.06 0.66 118.16 119.95 1j04 n LYS 229 Ca 0.02 1.00 0.12 0.00 -2.87 0.00 0.00 58.31 56.58 1j04 n LYS 229 Cb 0.31 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.31 1j04 n LYS 229 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1j04 h MET 230 N 0.00 0.66 0.00 1.97 2.86 -0.67 -0.50 114.93 119.24 1j04 h MET 230 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1j04 h MET 230 Cb 0.05 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1j04 h MET 230 CO -0.10 0.43 -0.26 0.66 1.06 0.00 0.00 176.91 178.70 1j04 n TYR 231 N -4.83 0.32 0.71 -0.22 4.02 0.10 -3.68 117.16 113.57 1j04 n TYR 231 Ca 0.22 0.09 0.08 0.00 -0.01 0.00 0.00 57.90 58.29 1j04 n TYR 231 Cb 0.56 -0.56 0.06 0.00 -0.02 0.00 0.00 39.34 39.37 1j04 n TYR 231 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1j04 n SER 232 N -1.79 2.26 -4.62 7.72 3.41 0.21 -5.01 113.62 115.80 1j04 n SER 232 Ca 0.06 -1.63 -0.45 0.00 -0.26 0.00 0.00 58.87 56.59 1j04 n SER 232 Cb 0.38 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1j04 n SER 232 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j04 n ARG 233 N 0.75 1.58 0.06 4.33 1.74 -0.52 -4.90 116.66 119.70 1j04 n ARG 233 Ca 0.09 0.56 0.10 0.00 -0.77 0.00 0.00 57.85 57.82 1j04 n ARG 233 Cb 0.41 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.77 1j04 n ARG 233 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1j04 n LYS 234 N 0.97 0.62 -3.95 5.56 4.76 -1.26 -4.89 118.16 119.97 1j04 n LYS 234 Ca 0.09 0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 1j04 n LYS 234 Cb 0.32 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1j04 n LYS 234 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1j04 s THR 235 N -3.33 5.28 -0.04 -0.18 2.01 -1.26 -5.08 115.64 113.04 1j04 s THR 235 Ca -0.03 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 1j04 s THR 235 Cb 0.10 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1j04 s THR 235 CO 0.82 0.39 0.91 -0.54 -0.69 0.00 0.00 174.62 175.52 1j04 s LYS 236 N -1.70 4.50 0.48 4.92 1.02 -1.26 -5.00 119.74 122.69 1j04 s LYS 236 Ca 0.24 1.27 -0.24 0.00 0.02 0.00 0.00 55.97 57.25 1j04 s LYS 236 Cb -0.12 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 1j04 s LYS 236 CO 0.15 -0.08 1.38 -1.25 -0.92 0.00 0.00 175.35 174.63 1j04 s PRO 237 N 1.17 3.55 0.58 -1.68 0.04 -1.26 -4.86 135.00 132.53 1j04 s PRO 237 Ca 0.47 2.30 0.30 0.00 0.04 0.00 0.00 61.00 64.11 1j04 s PRO 237 Cb -0.20 -2.53 1.44 0.00 0.04 0.00 0.00 34.50 33.25 1j04 s PRO 237 CO 0.23 -0.89 1.84 0.74 0.04 0.00 0.00 177.00 178.97 1j04 h PHE 238 N 2.08 0.00 -3.10 0.56 -1.00 -1.95 -3.42 116.94 110.12 1j04 h PHE 238 Ca -0.51 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.68 1j04 h PHE 238 Cb 1.27 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.79 1j04 h PHE 238 CO 0.49 0.00 -0.35 0.45 -1.61 0.00 0.00 178.31 177.30 1j04 s SER 239 N -5.17 6.48 -0.18 2.17 0.15 -1.26 -5.00 113.70 110.89 1j04 s SER 239 Ca -0.04 0.55 -0.05 0.00 0.70 0.00 0.00 55.95 57.10 1j04 s SER 239 Cb 0.17 -2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 62.32 1j04 s SER 239 CO 0.62 0.10 -0.21 0.33 1.20 0.00 0.00 173.24 175.28 1j04 n PHE 240 N 0.28 0.00 -0.20 3.44 7.35 -1.26 -3.85 117.46 123.22 1j04 n PHE 240 Ca -0.04 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.79 1j04 n PHE 240 Cb 0.52 -0.66 0.47 0.00 0.35 0.00 0.00 39.48 40.15 1j04 n PHE 240 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1j04 h TYR 241 N -0.42 0.59 -0.49 -5.13 3.20 -1.99 -1.61 116.97 111.12 1j04 h TYR 241 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1j04 h TYR 241 Cb 1.48 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1j04 h TYR 241 CO -0.03 0.22 0.00 1.28 -1.64 0.00 0.00 178.16 177.99 1j04 n LEU 242 N -4.50 3.45 -4.71 2.82 4.77 -1.26 -4.94 117.00 112.62 1j04 n LEU 242 Ca 0.15 -2.08 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 1j04 n LEU 242 Cb 0.51 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1j04 n LEU 242 CO 0.32 0.82 1.39 -0.62 -1.33 0.00 0.00 177.39 177.97 1j04 s ASP 243 N -1.04 6.43 0.37 -1.43 -1.08 -0.61 -4.86 116.67 114.46 1j04 s ASP 243 Ca 0.35 2.79 0.19 0.00 -0.52 0.00 0.00 52.55 55.36 1j04 s ASP 243 Cb 0.19 -2.59 0.61 0.00 -1.46 0.00 0.00 42.92 39.67 1j04 s ASP 243 CO 0.22 -0.96 1.69 -0.29 0.52 0.00 0.00 175.17 176.35 1j04 h ILE 244 N 4.18 0.77 -0.36 4.11 6.09 -1.91 -2.08 117.51 128.31 1j04 h ILE 244 Ca -0.44 -1.55 -0.12 0.00 -1.37 0.00 0.00 64.86 61.38 1j04 h ILE 244 Cb 1.21 1.99 -0.01 0.00 0.47 0.00 0.00 36.82 40.48 1j04 h ILE 244 CO 0.95 0.35 -0.22 0.11 -3.07 0.00 0.00 178.15 176.26 1j04 h LYS 245 N 0.00 0.80 -0.02 2.19 1.57 -1.95 0.29 116.57 119.44 1j04 h LYS 245 Ca -0.00 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1j04 h LYS 245 Cb 0.96 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1j04 h LYS 245 CO 0.05 1.00 -0.02 -1.49 -0.57 0.00 0.00 179.45 178.41 1j04 h TRP 246 N 0.59 0.07 -0.10 -1.35 4.06 -1.93 -2.73 115.95 114.55 1j04 h TRP 246 Ca 0.08 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1j04 h TRP 246 Cb 0.78 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.90 1j04 h TRP 246 CO 0.06 0.50 -0.06 -0.07 -3.56 0.00 0.00 178.44 175.31 1j04 h LEU 247 N -0.38 -0.19 -0.39 -4.49 4.07 -1.33 -2.01 115.31 110.59 1j04 h LEU 247 Ca 0.00 0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.08 1j04 h LEU 247 Cb 0.48 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 1j04 h LEU 247 CO 0.00 -0.08 -0.03 0.00 -1.08 0.00 0.00 178.44 177.25 1j04 h ALA 248 N 1.03 0.32 0.08 1.53 0.00 -0.47 -2.01 119.26 119.74 1j04 h ALA 248 Ca 0.06 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1j04 h ALA 248 Cb 0.15 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j04 h ALA 248 CO -0.14 -0.42 -0.04 -0.97 0.00 0.00 0.00 179.25 177.69 1j04 h ASN 249 N 0.06 -0.09 -0.66 0.00 -0.73 -1.20 -1.20 115.58 111.77 1j04 h ASN 249 Ca 0.19 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1j04 h ASN 249 Cb 0.28 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 1j04 h ASN 249 CO -0.35 -0.06 0.44 0.15 -0.37 0.00 0.00 177.43 177.24 1j04 h PHE 250 N -0.10 0.80 -0.05 0.67 3.57 -1.11 -1.83 116.94 118.88 1j04 h PHE 250 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1j04 h PHE 250 Cb 0.08 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1j04 h PHE 250 CO -0.07 0.49 0.00 0.91 -2.23 0.00 0.00 178.31 177.40 1j04 n TRP 251 N -4.45 0.13 -2.46 0.41 7.02 -0.78 -4.88 117.44 112.43 1j04 n TRP 251 Ca 0.07 -0.05 -0.11 0.00 -1.02 0.00 0.00 57.50 56.40 1j04 n TRP 251 Cb 0.08 -0.07 0.01 0.00 -2.42 0.00 0.00 31.31 28.91 1j04 n TRP 251 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1j04 n GLY 252 N 0.32 0.02 0.16 6.99 0.00 -0.69 -4.93 105.19 107.06 1j04 n GLY 252 Ca 0.02 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1j04 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j04 n ASP 254 N -1.02 0.00 -0.07 0.00 8.00 -1.26 -4.89 116.55 117.31 1j04 n ASP 254 Ca 0.06 -0.70 0.04 0.00 0.71 0.00 0.00 54.79 54.89 1j04 n ASP 254 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1j04 n ASP 254 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1j04 n ASP 255 N -2.11 0.63 -4.85 -2.24 5.75 -1.26 -5.00 116.55 107.47 1j04 n ASP 255 Ca 0.00 -0.82 -0.32 0.00 -0.01 0.00 0.00 54.79 53.64 1j04 n ASP 255 Cb 0.00 0.81 -0.06 0.00 -1.03 0.00 0.00 41.12 40.84 1j04 n ASP 255 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1j04 s GLN 256 N -1.55 3.98 0.90 0.11 -1.52 -1.26 -5.05 119.66 115.27 1j04 s GLN 256 Ca 0.04 0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.97 1j04 s GLN 256 Cb 0.06 -2.47 0.14 0.00 -0.22 0.00 0.00 33.01 30.51 1j04 s GLN 256 CO 0.28 0.18 1.16 -2.14 -0.25 0.00 0.00 175.29 174.53 1j04 s PRO 257 N -2.93 1.11 -0.20 2.91 0.02 -1.26 -4.87 135.00 129.78 1j04 s PRO 257 Ca 0.53 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 1j04 s PRO 257 Cb -0.11 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 1j04 s PRO 257 CO 0.18 -2.57 1.50 1.03 -0.33 0.00 0.00 177.00 176.81 1j04 s ARG 258 N -4.54 3.94 0.18 5.54 0.52 -1.26 -4.90 118.95 118.42 1j04 s ARG 258 Ca 0.68 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 57.51 1j04 s ARG 258 Cb -0.24 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.23 1j04 s ARG 258 CO 0.56 -1.10 0.39 -1.64 0.02 0.00 0.00 175.30 173.53 1j04 s MET 259 N 4.29 3.56 -0.00 3.54 -1.94 -1.26 -5.00 119.30 122.48 1j04 s MET 259 Ca 0.66 -0.22 -0.30 0.00 -1.71 0.00 0.00 55.69 54.12 1j04 s MET 259 Cb -0.24 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1j04 s MET 259 CO 0.26 0.43 1.10 -0.47 -0.01 0.00 0.00 175.02 176.32 1j04 s TYR 260 N -1.78 3.48 0.00 -0.03 5.04 -1.26 -4.46 117.35 118.34 1j04 s TYR 260 Ca 0.40 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 1j04 s TYR 260 Cb -0.12 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1j04 s TYR 260 CO 0.27 -0.70 0.00 1.58 -1.34 0.00 0.00 175.55 175.36 1j04 n HIS 261 N 4.27 0.00 -4.24 4.97 -0.00 -1.26 -5.11 115.22 113.85 1j04 n HIS 261 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 1j04 n HIS 261 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 1j04 n HIS 261 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1j04 s HIS 262 N -0.28 1.22 -0.36 1.57 -3.43 -1.26 -5.11 115.29 107.63 1j04 s HIS 262 Ca 0.00 -1.13 -0.23 0.00 -0.80 0.00 0.00 55.06 52.90 1j04 s HIS 262 Cb 0.00 -0.69 0.01 0.00 -1.43 0.00 0.00 32.58 30.47 1j04 s HIS 262 CO 0.00 -0.33 0.79 0.99 -2.00 0.00 0.00 174.74 174.19 1j04 s THR 263 N -3.79 4.73 0.73 -5.38 2.01 -1.26 -5.04 115.64 107.64 1j04 s THR 263 Ca 0.28 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 63.08 1j04 s THR 263 Cb 0.07 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1j04 s THR 263 CO 0.06 -0.42 1.15 0.27 -0.69 0.00 0.00 174.62 174.99 1j04 s ILE 264 N 3.11 2.76 -1.22 1.82 -4.36 -1.26 -4.90 121.20 117.14 1j04 s ILE 264 Ca 0.32 0.34 -0.20 0.00 -0.26 0.00 0.00 60.65 60.85 1j04 s ILE 264 Cb -0.13 -2.82 0.04 0.00 1.25 0.00 0.00 42.46 40.80 1j04 s ILE 264 CO 0.16 -0.24 1.71 -2.16 0.24 0.00 0.00 174.94 174.66 1j04 s PRO 265 N -4.17 3.69 0.13 0.37 0.04 -1.26 -4.87 135.00 128.93 1j04 s PRO 265 Ca 0.69 -1.67 -0.31 0.00 0.04 0.00 0.00 61.00 59.75 1j04 s PRO 265 Cb -0.24 -5.45 -0.09 0.00 0.04 0.00 0.00 34.50 28.75 1j04 s PRO 265 CO 0.46 -2.49 1.52 0.28 0.04 0.00 0.00 177.00 176.82 1j04 h VAL 266 N 5.94 0.00 -0.75 -0.36 2.07 -1.97 -0.10 116.25 121.08 1j04 h VAL 266 Ca 0.36 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1j04 h VAL 266 Cb 0.91 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1j04 h VAL 266 CO 1.42 0.00 0.36 0.40 0.02 0.00 0.00 177.57 179.77 1j04 h ILE 267 N -0.26 0.80 0.00 4.57 1.08 -1.94 -0.00 117.51 121.75 1j04 h ILE 267 Ca 0.10 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1j04 h ILE 267 Cb 0.52 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1j04 h ILE 267 CO -0.68 0.11 -0.24 0.28 -0.69 0.00 0.00 178.15 176.93 1j04 h SER 268 N 0.59 0.00 -0.22 1.72 0.02 -1.64 -2.47 113.55 111.55 1j04 h SER 268 Ca 0.38 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.17 1j04 h SER 268 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1j04 h SER 268 CO -0.31 0.24 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.09 1j04 h LEU 269 N 0.00 0.85 -0.34 5.07 3.38 0.75 -1.00 115.31 124.03 1j04 h LEU 269 Ca -0.00 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1j04 h LEU 269 Cb 0.43 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1j04 h LEU 269 CO 0.03 1.18 -0.22 1.88 0.09 0.00 0.00 178.44 181.40 1j04 h TYR 270 N 0.63 -0.58 -0.55 1.13 0.05 -0.87 0.32 116.97 117.10 1j04 h TYR 270 Ca 0.03 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 1j04 h TYR 270 Cb 1.04 0.31 -0.02 0.00 1.01 0.00 0.00 36.73 39.06 1j04 h TYR 270 CO 0.06 -0.30 0.08 0.77 -1.05 0.00 0.00 178.16 177.72 1j04 h SER 271 N -0.18 0.84 -0.48 3.88 0.02 -1.39 -2.56 113.55 113.69 1j04 h SER 271 Ca 0.17 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1j04 h SER 271 Cb 0.44 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1j04 h SER 271 CO -0.45 0.85 0.04 0.25 -1.14 0.00 0.00 176.83 176.39 1j04 h LEU 272 N 0.84 0.79 -0.07 5.07 5.85 -0.41 -1.42 115.31 125.97 1j04 h LEU 272 Ca 0.17 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1j04 h LEU 272 Cb 0.38 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1j04 h LEU 272 CO 0.01 0.88 -0.15 0.03 -0.34 0.00 0.00 178.44 178.87 1j04 h ARG 273 N 0.68 -0.13 -0.73 1.25 2.47 -0.69 -0.63 114.38 116.60 1j04 h ARG 273 Ca 0.14 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.03 1j04 h ARG 273 Cb 0.45 0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.68 1j04 h ARG 273 CO 0.02 -0.08 0.11 0.93 0.56 0.00 0.00 179.97 181.50 1j04 h GLU 274 N -0.13 0.19 0.00 0.04 4.39 -1.45 0.47 114.58 118.09 1j04 h GLU 274 Ca 0.01 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1j04 h GLU 274 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1j04 h GLU 274 CO -0.13 0.13 -0.24 0.66 -1.16 0.00 0.00 179.01 178.26 1j04 h SER 275 N 0.20 0.00 1.23 1.42 4.64 -0.83 0.15 113.55 120.35 1j04 h SER 275 Ca 0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.58 1j04 h SER 275 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1j04 h SER 275 CO -0.56 0.24 -0.80 -0.07 -0.87 0.00 0.00 176.83 174.78 1j04 h LEU 276 N 0.00 0.00 -0.14 5.97 3.38 0.13 -2.97 115.31 121.68 1j04 h LEU 276 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1j04 h LEU 276 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1j04 h LEU 276 CO 0.03 0.65 -0.74 0.00 0.09 0.00 0.00 178.44 178.48 1j04 h ALA 277 N 1.35 0.57 0.10 1.53 0.00 0.52 -2.59 119.26 120.74 1j04 h ALA 277 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1j04 h ALA 277 Cb 1.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1j04 h ALA 277 CO 0.08 0.92 -0.05 1.25 0.00 0.00 0.00 179.25 181.45 1j04 h LEU 278 N 0.00 -0.12 -1.84 0.00 5.85 -0.73 -1.83 115.31 116.64 1j04 h LEU 278 Ca -0.01 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1j04 h LEU 278 Cb 1.50 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1j04 h LEU 278 CO 0.10 0.34 -0.02 -0.29 -0.34 0.00 0.00 178.44 178.23 1j04 h ILE 279 N -0.61 0.07 -0.04 4.05 2.10 -1.60 -1.24 117.51 120.25 1j04 h ILE 279 Ca -0.01 -0.43 -0.21 0.00 1.08 0.00 0.00 64.86 65.29 1j04 h ILE 279 Cb 0.49 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1j04 h ILE 279 CO 0.02 0.02 -0.86 0.00 -1.08 0.00 0.00 178.15 176.25 1j04 h ALA 280 N 1.98 0.42 -0.33 0.18 0.00 -1.32 -2.22 119.26 117.97 1j04 h ALA 280 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1j04 h ALA 280 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1j04 h ALA 280 CO 0.00 0.78 -0.06 0.93 0.00 0.00 0.00 179.25 180.90 1j04 h GLU 281 N 0.28 0.62 0.00 0.00 5.08 -0.37 -3.27 114.58 116.92 1j04 h GLU 281 Ca -0.06 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1j04 h GLU 281 Cb 1.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1j04 h GLU 281 CO 0.15 0.79 0.00 1.04 -1.00 0.00 0.00 179.01 179.99 1j04 n GLN 282 N -4.46 0.00 0.00 2.33 6.02 -0.82 -5.03 117.38 115.42 1j04 n GLN 282 Ca -0.02 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1j04 n GLN 282 Cb 0.32 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1j04 n GLN 282 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j04 n GLY 283 N -0.94 4.25 0.34 1.08 0.00 -0.84 -4.77 105.19 104.31 1j04 n GLY 283 Ca 0.00 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.99 1j04 n GLY 283 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j04 h LEU 284 N 0.00 0.75 -0.54 0.99 6.46 -1.88 -2.04 115.31 119.06 1j04 h LEU 284 Ca 0.00 0.08 -0.16 0.00 -0.12 0.00 0.00 57.88 57.68 1j04 h LEU 284 Cb 0.00 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1j04 h LEU 284 CO 0.00 0.33 -0.62 -0.33 -0.62 0.00 0.00 178.44 177.21 1j04 h GLU 285 N 0.80 0.40 -0.50 1.25 5.08 -1.94 -2.40 114.58 117.26 1j04 h GLU 285 Ca 0.51 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1j04 h GLU 285 Cb 0.68 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1j04 h GLU 285 CO -0.33 0.89 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.57 1j04 h ASN 286 N 0.29 0.93 -0.62 1.42 2.35 -1.73 -2.17 115.58 116.06 1j04 h ASN 286 Ca -0.01 -0.35 0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1j04 h ASN 286 Cb 1.15 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.23 1j04 h ASN 286 CO 0.11 1.06 0.41 -1.28 -1.65 0.00 0.00 177.43 176.07 1j04 h SER 287 N 0.79 0.56 -0.25 5.81 0.87 -1.26 -0.95 113.55 119.12 1j04 h SER 287 Ca 0.13 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1j04 h SER 287 Cb 0.63 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1j04 h SER 287 CO 0.04 0.37 -0.27 -0.50 -0.53 0.00 0.00 176.83 175.94 1j04 h TRP 288 N 0.64 0.85 0.05 2.24 6.55 -0.91 -2.98 115.95 122.39 1j04 h TRP 288 Ca 0.26 -0.21 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 1j04 h TRP 288 Cb 0.22 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1j04 h TRP 288 CO -0.00 0.93 -0.02 0.00 -1.05 0.00 0.00 178.44 178.30 1j04 h ARG 289 N 0.64 -0.06 -0.52 0.49 3.08 -0.61 -2.39 114.38 115.01 1j04 h ARG 289 Ca 0.08 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1j04 h ARG 289 Cb 0.78 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 1j04 h ARG 289 CO 0.06 0.17 -0.41 1.96 -1.07 0.00 0.00 179.97 180.69 1j04 h GLN 290 N -0.28 -0.12 -0.96 0.04 4.20 -1.22 0.34 115.11 117.12 1j04 h GLN 290 Ca -0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j04 h GLN 290 Cb 0.26 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1j04 h GLN 290 CO 0.01 -0.08 0.60 0.45 -0.67 0.00 0.00 178.83 179.14 1j04 h HIS 291 N -0.12 1.24 0.07 2.96 3.86 -1.58 0.49 115.15 122.07 1j04 h HIS 291 Ca 0.09 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1j04 h HIS 291 Cb 0.35 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1j04 h HIS 291 CO -0.87 0.81 -0.03 0.00 0.86 0.00 0.00 177.93 178.70 1j04 h ARG 292 N 1.31 -0.09 -0.46 2.45 3.08 -0.80 0.18 114.38 120.05 1j04 h ARG 292 Ca 0.35 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 1j04 h ARG 292 Cb -0.09 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1j04 h ARG 292 CO -0.07 0.14 0.15 0.93 -1.07 0.00 0.00 179.97 180.05 1j04 h GLU 293 N -0.33 0.70 -0.01 0.04 5.08 -0.16 -1.78 114.58 118.13 1j04 h GLU 293 Ca -0.01 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1j04 h GLU 293 Cb 0.28 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1j04 h GLU 293 CO 0.02 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 1j04 h ALA 294 N 1.00 0.02 -0.77 3.43 0.00 0.01 -2.34 119.26 120.61 1j04 h ALA 294 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1j04 h ALA 294 Cb 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1j04 h ALA 294 CO -0.01 -0.38 0.50 0.00 0.00 0.00 0.00 179.25 179.37 1j04 h ALA 295 N 0.81 1.91 0.28 0.00 0.00 -0.54 -0.68 119.26 121.04 1j04 h ALA 295 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j04 h ALA 295 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j04 h ALA 295 CO -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.02 1j04 h ALA 296 N 1.63 -0.37 -0.39 0.00 0.00 -1.10 -1.86 119.26 117.17 1j04 h ALA 296 Ca 0.37 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1j04 h ALA 296 Cb 0.62 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1j04 h ALA 296 CO -0.13 -0.55 -0.30 -0.92 0.00 0.00 0.00 179.25 177.34 1j04 h TYR 297 N -0.68 -0.83 -0.70 0.00 3.20 -0.82 -0.63 116.97 116.51 1j04 h TYR 297 Ca -0.04 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1j04 h TYR 297 Cb 0.47 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 1j04 h TYR 297 CO 0.02 -0.37 0.28 1.25 -1.64 0.00 0.00 178.16 177.70 1j04 h LEU 298 N -0.24 0.27 -0.22 2.82 5.85 -1.12 -1.12 115.31 121.56 1j04 h LEU 298 Ca 0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1j04 h LEU 298 Cb 0.52 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1j04 h LEU 298 CO -0.52 0.12 0.14 0.45 -0.34 0.00 0.00 178.44 178.29 1j04 h HIS 299 N 0.44 0.28 -0.38 1.25 3.86 -0.27 0.12 115.15 120.45 1j04 h HIS 299 Ca 0.37 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.54 1j04 h HIS 299 Cb 0.52 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1j04 h HIS 299 CO -0.17 0.19 0.04 0.78 0.86 0.00 0.00 177.93 179.64 1j04 h GLY 300 N 0.28 0.69 0.73 2.45 0.00 -0.97 -0.75 103.07 105.50 1j04 h GLY 300 Ca 0.08 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 46.97 1j04 h GLY 300 CO -0.02 0.44 0.16 3.21 0.00 0.00 0.00 176.54 180.33 1j04 h ARG 301 N 0.47 0.32 -0.72 4.80 3.08 -1.02 0.72 114.38 122.03 1j04 h ARG 301 Ca 0.11 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1j04 h ARG 301 Cb 0.40 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1j04 h ARG 301 CO 0.01 0.21 0.22 -0.07 -1.07 0.00 0.00 179.97 179.27 1j04 h LEU 302 N 0.33 1.05 -1.27 3.04 3.38 -0.61 -2.26 115.31 118.97 1j04 h LEU 302 Ca 0.17 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1j04 h LEU 302 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1j04 h LEU 302 CO -0.15 0.98 -0.33 1.56 0.09 0.00 0.00 178.44 180.59 1j04 h GLN 303 N 1.06 0.00 -0.10 1.13 4.20 -0.54 -2.24 115.11 118.62 1j04 h GLN 303 Ca 0.23 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.82 1j04 h GLN 303 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1j04 h GLN 303 CO -0.01 0.33 -0.48 0.00 -0.67 0.00 0.00 178.83 178.00 1j04 h ALA 304 N 1.67 0.99 0.00 3.87 0.00 -0.32 -2.15 119.26 123.32 1j04 h ALA 304 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1j04 h ALA 304 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j04 h ALA 304 CO 0.04 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1j04 n LEU 305 N -3.97 0.00 0.00 0.00 4.77 -0.87 -4.84 117.00 112.09 1j04 n LEU 305 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1j04 n LEU 305 Cb 0.53 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1j04 n LEU 305 CO 0.43 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1j04 n GLY 306 N 0.39 0.73 3.90 -0.72 0.00 -0.81 -5.08 105.19 103.61 1j04 n GLY 306 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1j04 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j04 s LEU 307 N 0.00 3.05 0.20 0.99 1.43 -1.06 -5.02 118.68 118.27 1j04 s LEU 307 Ca 0.00 0.91 0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1j04 s LEU 307 Cb 0.00 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1j04 s LEU 307 CO 0.00 -1.23 -0.14 -1.10 0.23 0.00 0.00 176.35 174.12 1j04 s GLN 308 N -5.19 1.90 -0.34 1.70 -0.21 -1.26 -4.30 119.66 111.96 1j04 s GLN 308 Ca 0.56 -1.39 -0.13 0.00 0.02 0.00 0.00 55.36 54.41 1j04 s GLN 308 Cb -0.11 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 1j04 s GLN 308 CO 0.48 0.41 0.27 -0.51 -2.12 0.00 0.00 175.29 173.83 1j04 s LEU 309 N -2.92 4.50 0.24 2.90 1.43 -1.26 -2.29 118.68 121.28 1j04 s LEU 309 Ca 0.25 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1j04 s LEU 309 Cb -0.08 -2.19 0.39 0.00 0.03 0.00 0.00 46.19 44.34 1j04 s LEU 309 CO 0.14 -0.26 1.63 0.15 0.23 0.00 0.00 176.35 178.24 1j04 h PHE 310 N 8.48 -0.13 -3.68 0.29 3.57 -1.78 -3.31 116.94 120.39 1j04 h PHE 310 Ca -0.31 0.06 -0.58 0.00 3.53 0.00 0.00 57.97 60.67 1j04 h PHE 310 Cb 1.15 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.98 1j04 h PHE 310 CO 0.67 -0.25 0.74 0.08 -2.23 0.00 0.00 178.31 177.32 1j04 s VAL 311 N -6.15 4.34 0.27 1.41 1.01 -1.26 -4.90 120.40 115.12 1j04 s VAL 311 Ca -0.14 0.95 0.09 0.00 0.00 0.00 0.00 61.98 62.88 1j04 s VAL 311 Cb 0.22 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1j04 s VAL 311 CO 0.75 -0.93 1.61 0.11 0.00 0.00 0.00 175.10 176.64 1j04 h LYS 312 N 9.16 0.06 -5.45 2.72 1.57 -1.94 -3.42 116.57 119.27 1j04 h LYS 312 Ca -0.24 -0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 57.85 1j04 h LYS 312 Cb 1.07 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.23 1j04 h LYS 312 CO 1.08 0.65 0.21 0.34 -0.57 0.00 0.00 179.45 181.15 1j04 s ASP 313 N -6.86 6.32 0.44 0.86 -1.08 -1.26 -4.94 116.67 110.15 1j04 s ASP 313 Ca -0.02 -0.41 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 1j04 s ASP 313 Cb 0.13 -2.34 1.28 0.00 -1.46 0.00 0.00 42.92 40.53 1j04 s ASP 313 CO 0.77 -0.88 1.75 -0.65 0.52 0.00 0.00 175.17 176.67 1j04 h PRO 314 N 8.98 0.23 0.00 4.34 0.11 -1.98 0.24 132.00 143.91 1j04 h PRO 314 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1j04 h PRO 314 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j04 h PRO 314 CO 0.94 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.88 1j04 h ALA 315 N 1.55 1.00 0.00 -0.75 0.00 -1.97 -3.01 119.26 116.09 1j04 h ALA 315 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1j04 h ALA 315 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1j04 h ALA 315 CO -0.24 0.00 -1.18 1.28 0.00 0.00 0.00 179.25 179.11 1j04 n LEU 316 N -2.45 0.57 -4.68 0.00 4.77 0.81 -4.90 117.00 111.12 1j04 n LEU 316 Ca 0.03 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1j04 n LEU 316 Cb 0.34 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1j04 n LEU 316 CO 0.26 0.02 1.52 0.54 -1.33 0.00 0.00 177.39 178.40 1j04 n ARG 317 N -2.07 2.83 -2.50 3.23 1.74 -1.10 0.10 116.66 118.90 1j04 n ARG 317 Ca 0.01 1.03 -0.43 0.00 -0.77 0.00 0.00 57.85 57.69 1j04 n ARG 317 Cb 0.46 -2.95 -0.02 0.00 -1.02 0.00 0.00 32.46 28.94 1j04 n ARG 317 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j04 s LEU 318 N 3.19 4.02 0.23 0.55 2.96 0.14 -4.72 118.68 125.05 1j04 s LEU 318 Ca 0.84 1.36 -0.06 0.00 -0.22 0.00 0.00 54.13 56.05 1j04 s LEU 318 Cb -0.46 -3.54 0.36 0.00 0.50 0.00 0.00 46.19 43.04 1j04 s LEU 318 CO 0.38 -0.88 1.77 -0.65 -1.32 0.00 0.00 176.35 175.65 1j04 h PRO 319 N 8.45 0.56 0.00 0.98 0.11 -1.88 -2.76 132.00 137.45 1j04 h PRO 319 Ca -0.24 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1j04 h PRO 319 Cb 1.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1j04 h PRO 319 CO 1.01 0.37 -0.39 1.79 -0.21 0.00 0.00 178.00 180.57 1j04 h THR 320 N 0.57 1.14 -3.37 -1.15 1.35 -1.85 -3.41 112.91 106.20 1j04 h THR 320 Ca 0.36 -1.39 -0.35 0.00 -0.55 0.00 0.00 66.41 64.48 1j04 h THR 320 Cb 0.42 1.78 -0.38 0.00 -1.73 0.00 0.00 68.15 68.24 1j04 h THR 320 CO -0.29 0.38 -0.74 -0.69 -0.25 0.00 0.00 175.52 173.93 1j04 s VAL 321 N -3.97 -0.09 -0.19 6.82 1.01 -1.04 -1.05 120.40 121.89 1j04 s VAL 321 Ca -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1j04 s VAL 321 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 1j04 s VAL 321 CO 0.71 0.16 -0.06 -0.89 0.00 0.00 0.00 175.10 175.01 1j04 s THR 322 N 1.87 3.38 -0.04 3.92 2.01 0.19 -4.14 115.64 122.83 1j04 s THR 322 Ca 0.01 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 1j04 s THR 322 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1j04 s THR 322 CO -0.03 0.46 0.43 0.42 -0.69 0.00 0.00 174.62 175.21 1j04 s THR 323 N 0.98 5.08 -0.09 -0.82 -4.23 -1.26 -1.92 115.64 113.38 1j04 s THR 323 Ca -0.00 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1j04 s THR 323 Cb -0.15 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1j04 s THR 323 CO 0.00 0.49 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.77 1j04 s VAL 324 N -0.47 1.14 0.42 2.29 1.01 -0.40 -2.29 120.40 122.10 1j04 s VAL 324 Ca 0.24 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 1j04 s VAL 324 Cb -0.16 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1j04 s VAL 324 CO 0.12 0.37 1.27 0.00 0.00 0.00 0.00 175.10 176.86 1j04 n ALA 325 N 4.29 1.30 -2.22 5.51 0.00 -0.97 -0.84 120.51 127.58 1j04 n ALA 325 Ca -0.19 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1j04 n ALA 325 Cb 0.51 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 1j04 n ALA 325 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1j04 s VAL 326 N -1.20 3.82 0.18 0.00 1.01 -1.08 -4.59 120.40 118.54 1j04 s VAL 326 Ca 0.61 1.10 -0.33 0.00 0.00 0.00 0.00 61.98 63.37 1j04 s VAL 326 Cb -0.51 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1j04 s VAL 326 CO 0.58 -0.05 1.28 -2.65 0.00 0.00 0.00 175.10 174.26 1j04 n PRO 327 N 6.13 1.46 -0.02 2.72 -0.02 -1.26 -4.90 135.00 139.11 1j04 n PRO 327 Ca 0.14 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1j04 n PRO 327 Cb 0.44 -2.10 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1j04 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j04 n ALA 328 N 1.90 -0.02 -0.80 3.55 0.00 -1.26 -2.33 120.51 121.55 1j04 n ALA 328 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1j04 n ALA 328 Cb 0.26 0.07 0.35 0.00 0.00 0.00 0.00 19.45 20.13 1j04 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j04 n GLY 329 N -1.01 3.12 3.87 0.00 0.00 -1.26 -4.97 105.19 104.93 1j04 n GLY 329 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 1j04 n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j04 s TYR 330 N -2.41 3.33 -0.53 1.61 1.51 -0.98 -0.08 117.35 119.79 1j04 s TYR 330 Ca 0.50 0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 56.42 1j04 s TYR 330 Cb 0.36 -1.60 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1j04 s TYR 330 CO 0.17 0.52 0.73 0.34 -1.11 0.00 0.00 175.55 176.20 1j04 s ASP 331 N -3.10 6.24 0.49 2.29 -1.08 -1.26 -4.86 116.67 115.40 1j04 s ASP 331 Ca 0.33 -0.82 0.37 0.00 -0.52 0.00 0.00 52.55 51.91 1j04 s ASP 331 Cb -0.11 -2.33 1.54 0.00 -1.46 0.00 0.00 42.92 40.56 1j04 s ASP 331 CO 0.26 -1.02 1.64 4.11 0.52 0.00 0.00 175.17 180.68 1j04 h TRP 332 N 9.12 0.28 -0.40 -5.34 5.08 -1.96 0.46 115.95 123.18 1j04 h TRP 332 Ca -0.27 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.68 1j04 h TRP 332 Cb 1.09 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 27.16 1j04 h TRP 332 CO 0.81 -0.10 0.12 0.00 -1.28 0.00 0.00 178.44 177.99 1j04 h ARG 333 N 0.06 0.58 -0.36 0.12 3.08 -2.00 -2.57 114.38 113.28 1j04 h ARG 333 Ca 0.82 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.72 1j04 h ARG 333 Cb 2.89 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 32.82 1j04 h ARG 333 CO -0.23 0.51 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.74 1j04 h ASP 334 N 0.57 0.64 -0.46 7.04 3.32 -0.49 -2.10 116.42 124.94 1j04 h ASP 334 Ca 0.14 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1j04 h ASP 334 Cb 0.18 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1j04 h ASP 334 CO -0.01 0.79 0.26 0.40 -1.72 0.00 0.00 179.24 178.97 1j04 h ILE 335 N 0.46 1.02 -0.15 0.35 2.04 -1.49 0.33 117.51 120.08 1j04 h ILE 335 Ca 0.10 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1j04 h ILE 335 Cb 0.47 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1j04 h ILE 335 CO 0.02 0.09 0.05 0.58 0.00 0.00 0.00 178.15 178.90 1j04 h VAL 336 N 0.52 1.17 -0.78 1.67 2.07 -1.40 -1.98 116.25 117.52 1j04 h VAL 336 Ca 0.19 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1j04 h VAL 336 Cb 0.04 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1j04 h VAL 336 CO -0.10 0.16 0.36 0.28 0.02 0.00 0.00 177.57 178.28 1j04 h SER 337 N 0.07 1.03 -0.62 0.57 0.02 -1.12 -2.27 113.55 111.24 1j04 h SER 337 Ca 0.05 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1j04 h SER 337 Cb 0.20 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1j04 h SER 337 CO -0.00 0.89 0.37 0.22 -1.14 0.00 0.00 176.83 177.17 1j04 h TYR 338 N 1.11 0.83 -0.23 3.45 3.20 -0.15 0.12 116.97 125.29 1j04 h TYR 338 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1j04 h TYR 338 Cb 0.15 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1j04 h TYR 338 CO 0.01 0.56 -0.08 0.28 -1.64 0.00 0.00 178.16 177.29 1j04 h VAL 339 N 0.87 1.29 -0.14 1.81 2.07 -0.82 -2.52 116.25 118.81 1j04 h VAL 339 Ca 0.23 -1.11 -0.19 0.00 0.82 0.00 0.00 66.70 66.45 1j04 h VAL 339 Cb -0.02 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1j04 h VAL 339 CO -0.04 0.34 -0.64 -0.29 0.02 0.00 0.00 177.57 176.96 1j04 h ILE 340 N 0.18 1.32 -0.58 4.57 6.09 -1.07 0.80 117.51 128.81 1j04 h ILE 340 Ca 0.05 -1.89 -0.06 0.00 -1.37 0.00 0.00 64.86 61.60 1j04 h ILE 340 Cb 0.56 2.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.88 1j04 h ILE 340 CO 0.03 0.59 0.11 0.44 -3.07 0.00 0.00 178.15 176.24 1j04 h ASP 341 N 0.35 0.87 0.07 2.19 3.32 -0.84 -1.58 116.42 120.81 1j04 h ASP 341 Ca -0.04 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 56.66 1j04 h ASP 341 Cb 1.27 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1j04 h ASP 341 CO 0.13 0.87 -2.10 1.41 -1.72 0.00 0.00 179.24 177.83 1j04 n HIS 342 N -4.24 0.10 -0.04 4.55 8.25 -0.95 -4.63 115.22 118.25 1j04 n HIS 342 Ca 0.04 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1j04 n HIS 342 Cb 0.26 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.60 1j04 n HIS 342 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1j04 n PHE 343 N -2.52 0.00 -2.96 4.41 3.01 0.27 -5.00 117.46 114.67 1j04 n PHE 343 Ca -0.17 -0.10 -0.22 0.00 1.01 0.00 0.00 57.45 57.97 1j04 n PHE 343 Cb 0.84 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.32 1j04 n PHE 343 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1j04 n ASP 344 N -0.10 -5.78 -4.25 4.37 10.43 -0.59 -4.88 116.55 115.75 1j04 n ASP 344 Ca 0.00 -0.25 -0.31 0.00 2.57 0.00 0.00 54.79 56.81 1j04 n ASP 344 Cb 0.06 -4.70 -0.16 0.00 1.84 0.00 0.00 41.12 38.16 1j04 n ASP 344 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1j04 s ILE 345 N -3.12 1.98 -0.05 0.53 1.01 -1.22 -1.00 121.20 119.32 1j04 s ILE 345 Ca 0.26 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 1j04 s ILE 345 Cb -0.12 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1j04 s ILE 345 CO 0.33 0.55 0.45 -1.61 0.00 0.00 0.00 174.94 174.66 1j04 s GLU 346 N -0.13 4.16 -0.12 2.79 2.02 -0.57 -2.90 118.70 123.94 1j04 s GLU 346 Ca -0.04 0.46 -0.11 0.00 0.02 0.00 0.00 54.97 55.30 1j04 s GLU 346 Cb -0.14 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.80 1j04 s GLU 346 CO 0.04 0.43 0.33 0.96 0.02 0.00 0.00 175.26 177.03 1j04 s ILE 347 N -0.25 -0.00 0.42 -1.63 -4.36 -1.26 -2.03 121.20 112.08 1j04 s ILE 347 Ca 0.25 0.01 0.08 0.00 -0.26 0.00 0.00 60.65 60.73 1j04 s ILE 347 Cb -0.16 -0.46 -0.00 0.00 1.25 0.00 0.00 42.46 43.08 1j04 s ILE 347 CO 0.12 0.00 0.50 -0.04 0.24 0.00 0.00 174.94 175.76 1j04 s MET 348 N 0.28 2.72 0.00 0.37 -1.94 -0.93 -4.89 119.30 114.89 1j04 s MET 348 Ca -0.01 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 1j04 s MET 348 Cb -0.03 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.20 1j04 s MET 348 CO -0.01 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.17 1j04 n GLY 349 N -1.73 1.48 4.00 -0.03 0.00 -1.26 -0.04 105.19 107.61 1j04 n GLY 349 Ca 0.06 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 1j04 n GLY 349 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j04 s GLY 350 N 0.00 1.76 -0.04 -0.02 0.00 -1.08 -3.42 107.32 104.51 1j04 s GLY 350 Ca 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.91 1j04 s GLY 350 CO 0.00 -1.26 0.09 -2.27 0.00 0.00 0.00 173.10 169.66 1j04 s LEU 351 N -5.03 0.83 0.00 0.66 0.20 -1.26 -4.52 118.68 109.56 1j04 s LEU 351 Ca 0.65 0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.64 1j04 s LEU 351 Cb -0.06 0.14 0.00 0.00 -0.43 0.00 0.00 46.19 45.85 1j04 s LEU 351 CO 0.43 -0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.95 1j04 n GLY 352 N 4.27 2.99 0.50 7.98 0.00 -1.26 -2.71 105.19 116.97 1j04 n GLY 352 Ca -0.26 -0.26 0.33 0.00 0.00 0.00 0.00 46.02 45.83 1j04 n GLY 352 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1j04 h PRO 353 N 0.00 0.13 -0.01 1.61 0.11 -1.93 0.54 132.00 132.44 1j04 h PRO 353 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1j04 h PRO 353 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1j04 h PRO 353 CO 0.00 0.08 -0.01 -1.13 -0.21 0.00 0.00 178.00 176.74 1j04 n SER 354 N -4.36 0.98 -4.54 -2.05 3.41 -1.10 -4.89 113.62 101.06 1j04 n SER 354 Ca 0.28 -1.30 -0.51 0.00 -0.26 0.00 0.00 58.87 57.08 1j04 n SER 354 Cb 1.22 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 65.12 1j04 n SER 354 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1j04 n THR 355 N -0.25 0.87 -1.81 6.66 -1.04 0.19 -1.28 114.28 117.61 1j04 n THR 355 Ca 0.20 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1j04 n THR 355 Cb 0.27 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 1j04 n THR 355 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j04 n GLY 356 N 1.93 0.44 0.00 3.41 0.00 -1.26 -4.75 105.19 104.96 1j04 n GLY 356 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1j04 n GLY 356 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j04 n LYS 357 N -2.22 0.45 -3.98 1.61 5.02 -0.40 -4.98 118.16 113.67 1j04 n LYS 357 Ca -0.13 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.01 1j04 n LYS 357 Cb 0.48 -1.04 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 1j04 n LYS 357 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j04 s VAL 358 N -2.13 0.00 0.06 -0.18 -7.23 -1.23 -2.63 120.40 107.06 1j04 s VAL 358 Ca -0.01 -1.36 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 1j04 s VAL 358 Cb 0.02 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1j04 s VAL 358 CO 0.11 0.00 -0.26 -0.76 -0.31 0.00 0.00 175.10 173.88 1j04 s LEU 359 N -3.18 2.20 -0.12 1.32 1.43 -0.02 -2.65 118.68 117.67 1j04 s LEU 359 Ca 0.25 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1j04 s LEU 359 Cb -0.02 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1j04 s LEU 359 CO 0.17 0.24 -0.21 -0.13 0.23 0.00 0.00 176.35 176.64 1j04 s ARG 360 N -1.40 3.09 -0.10 1.70 0.52 0.95 -1.28 118.95 122.43 1j04 s ARG 360 Ca 0.12 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 1j04 s ARG 360 Cb -0.10 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1j04 s ARG 360 CO 0.03 0.11 -0.21 0.42 0.02 0.00 0.00 175.30 175.67 1j04 s ILE 361 N 0.53 1.87 0.08 1.52 1.01 -0.81 -2.20 121.20 123.19 1j04 s ILE 361 Ca -0.13 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.68 1j04 s ILE 361 Cb -0.17 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1j04 s ILE 361 CO 0.05 0.52 -0.08 -0.83 0.00 0.00 0.00 174.94 174.60 1j04 s GLY 362 N 0.49 1.80 -0.40 6.18 0.00 -0.11 -0.64 107.32 114.64 1j04 s GLY 362 Ca -0.16 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1j04 s GLY 362 CO 0.06 -1.12 0.18 1.08 0.00 0.00 0.00 173.10 173.30 1j04 s LEU 363 N -2.04 2.98 -0.18 0.66 1.43 -0.21 -4.35 118.68 116.97 1j04 s LEU 363 Ca 0.21 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 1j04 s LEU 363 Cb -0.11 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1j04 s LEU 363 CO 0.13 -0.32 -0.18 -0.76 0.23 0.00 0.00 176.35 175.45 1j04 s LEU 364 N 0.70 2.25 0.00 1.79 1.43 -1.26 -4.44 118.68 119.15 1j04 s LEU 364 Ca 0.15 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1j04 s LEU 364 Cb -0.22 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1j04 s LEU 364 CO -0.07 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1j04 n GLY 365 N 4.54 3.14 0.16 -3.19 0.00 -1.17 -1.89 105.19 106.77 1j04 n GLY 365 Ca -0.20 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1j04 n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j04 h ASN 367 N 0.00 0.00 -0.18 0.00 4.21 -1.73 -3.41 115.58 114.47 1j04 h ASN 367 Ca 0.00 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.03 1j04 h ASN 367 Cb 0.35 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.58 1j04 h ASN 367 CO 0.00 0.52 1.56 0.00 -1.29 0.00 0.00 177.43 178.23 1j04 n ALA 368 N -2.33 2.24 -2.31 -0.83 0.00 0.39 -4.67 120.51 113.00 1j04 n ALA 368 Ca -0.05 -3.05 -0.16 0.00 0.00 0.00 0.00 53.44 50.18 1j04 n ALA 368 Cb 0.79 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.57 1j04 n ALA 368 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j04 s THR 369 N 8.43 1.32 0.23 0.00 -4.23 -1.26 -4.66 115.64 115.47 1j04 s THR 369 Ca 0.65 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1j04 s THR 369 Cb 0.07 -1.83 0.22 0.00 1.34 0.00 0.00 72.50 72.30 1j04 s THR 369 CO 0.16 -0.66 1.91 0.03 -0.54 0.00 0.00 174.62 175.52 1j04 h ARG 370 N 2.86 1.19 -0.24 3.99 3.08 -1.92 -1.72 114.38 121.62 1j04 h ARG 370 Ca -0.37 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 59.67 1j04 h ARG 370 Cb 1.20 -0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 1j04 h ARG 370 CO 0.61 0.79 -0.27 0.93 -1.07 0.00 0.00 179.97 180.96 1j04 h GLU 371 N 1.22 -0.27 0.00 0.04 3.07 -1.95 0.28 114.58 116.97 1j04 h GLU 371 Ca 0.33 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1j04 h GLU 371 Cb -0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1j04 h GLU 371 CO -0.08 -0.18 -0.34 -0.91 -1.40 0.00 0.00 179.01 176.10 1j04 h ASN 372 N -0.28 0.00 -0.38 1.42 2.35 -1.77 -1.43 115.58 115.49 1j04 h ASN 372 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1j04 h ASN 372 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1j04 h ASN 372 CO -0.40 0.34 0.07 0.58 -1.65 0.00 0.00 177.43 176.38 1j04 h VAL 373 N 0.00 1.21 0.12 2.81 2.07 -0.09 -0.72 116.25 121.66 1j04 h VAL 373 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1j04 h VAL 373 Cb 0.74 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1j04 h VAL 373 CO 0.04 0.29 -0.06 0.44 0.02 0.00 0.00 177.57 178.31 1j04 h ASP 374 N 0.68 -0.14 -0.61 0.57 3.45 -0.47 -1.67 116.42 118.24 1j04 h ASP 374 Ca 0.15 -0.42 0.13 0.00 0.43 0.00 0.00 57.03 57.31 1j04 h ASP 374 Cb 0.31 0.04 -0.10 0.00 -0.56 0.00 0.00 39.33 39.02 1j04 h ASP 374 CO 0.00 0.42 0.01 0.03 -1.57 0.00 0.00 179.24 178.13 1j04 h ARG 375 N -0.77 0.12 -0.03 3.56 3.08 -1.10 -0.37 114.38 118.88 1j04 h ARG 375 Ca -0.02 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1j04 h ARG 375 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1j04 h ARG 375 CO 0.03 0.08 -0.69 -0.24 -1.07 0.00 0.00 179.97 178.08 1j04 h VAL 376 N 0.13 1.44 -0.81 2.04 3.04 -1.20 -2.53 116.25 118.35 1j04 h VAL 376 Ca 0.32 -2.24 -0.01 0.00 -1.01 0.00 0.00 66.70 63.76 1j04 h VAL 376 Cb 0.51 2.19 -0.04 0.00 -2.01 0.00 0.00 31.29 31.94 1j04 h VAL 376 CO -0.51 0.65 0.47 0.74 -1.01 0.00 0.00 177.57 177.91 1j04 h THR 377 N 0.11 1.23 0.00 3.17 2.02 -0.13 -1.35 112.91 117.96 1j04 h THR 377 Ca -0.02 -0.54 -0.16 0.00 0.77 0.00 0.00 66.41 66.47 1j04 h THR 377 Cb 1.23 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1j04 h THR 377 CO 0.10 0.25 -0.76 -0.33 0.37 0.00 0.00 175.52 175.15 1j04 h GLU 378 N 1.12 0.00 -0.31 6.66 5.08 -1.13 -2.61 114.58 123.38 1j04 h GLU 378 Ca 0.29 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1j04 h GLU 378 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1j04 h GLU 378 CO -0.05 0.76 -0.32 0.00 -1.00 0.00 0.00 179.01 178.40 1j04 h ALA 379 N 1.24 0.86 -0.34 3.43 0.00 -1.09 -2.70 119.26 120.66 1j04 h ALA 379 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1j04 h ALA 379 Cb 1.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1j04 h ALA 379 CO 0.10 0.63 -0.16 -0.07 0.00 0.00 0.00 179.25 179.75 1j04 h LEU 380 N 0.57 0.61 0.42 0.00 3.38 -1.16 -2.53 115.31 116.61 1j04 h LEU 380 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1j04 h LEU 380 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1j04 h LEU 380 CO 0.07 0.79 -0.29 0.03 0.09 0.00 0.00 178.44 179.13 1j04 h ARG 381 N 0.56 -0.66 -0.32 1.13 3.08 -1.15 -1.61 114.38 115.41 1j04 h ARG 381 Ca 0.09 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1j04 h ARG 381 Cb 0.59 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1j04 h ARG 381 CO 0.04 -0.44 -0.11 0.00 -1.07 0.00 0.00 179.97 178.39 1j04 h ALA 382 N -0.17 0.17 -0.98 0.04 0.00 -1.46 -0.08 119.26 116.77 1j04 h ALA 382 Ca -0.04 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1j04 h ALA 382 Cb 0.58 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1j04 h ALA 382 CO 0.03 -0.49 0.61 0.00 0.00 0.00 0.00 179.25 179.40 1j04 h ALA 383 N 1.25 1.48 -0.16 0.00 0.00 -1.29 0.43 119.26 120.97 1j04 h ALA 383 Ca 0.16 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1j04 h ALA 383 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j04 h ALA 383 CO -0.35 0.20 -0.41 -0.07 0.00 0.00 0.00 179.25 178.61 1j04 h LEU 384 N 0.96 0.40 -0.03 0.00 4.07 -0.21 0.76 115.31 121.25 1j04 h LEU 384 Ca 0.49 -0.17 -0.26 0.00 0.08 0.00 0.00 57.88 58.02 1j04 h LEU 384 Cb 0.50 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 42.15 1j04 h LEU 384 CO -0.27 0.77 -1.02 1.56 -1.08 0.00 0.00 178.44 178.40 1j04 h GLN 385 N 0.31 0.70 0.00 1.13 4.20 0.86 -3.38 115.11 118.93 1j04 h GLN 385 Ca 0.03 -0.73 0.00 0.00 0.06 0.00 0.00 58.65 58.01 1j04 h GLN 385 Cb 0.86 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1j04 h GLN 385 CO 0.07 1.31 -1.14 0.72 -0.67 0.00 0.00 178.83 179.12 1j04 n HIS 386 N -3.85 0.00 -2.59 2.96 8.25 0.13 -4.99 115.22 115.13 1j04 n HIS 386 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 1j04 n HIS 386 Cb 0.87 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.79 1j04 n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j04 n PRO 388 N 0.45 2.13 -4.69 0.00 -0.02 -1.26 -4.94 135.00 126.68 1j04 n PRO 388 Ca 0.02 0.76 -0.25 0.00 -2.02 0.00 0.00 63.50 62.01 1j04 n PRO 388 Cb 0.48 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 1j04 n PRO 388 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j04 s LYS 389 N -0.06 1.78 0.00 -0.52 1.02 -1.26 -4.44 119.74 116.27 1j04 s LYS 389 Ca 0.71 -0.50 0.28 0.00 0.02 0.00 0.00 55.97 56.48 1j04 s LYS 389 Cb -0.64 -1.48 1.66 0.00 -0.52 0.00 0.00 37.83 36.85 1j04 s LYS 389 CO 0.46 0.10 2.00 1.63 -0.92 0.00 0.00 175.35 178.63