#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3b s ARG 3 N 0.00 0.16 0.00 3.69 3.52 -1.26 -5.02 118.95 120.03 1j3b s ARG 3 Ca 0.00 0.36 0.24 0.00 -0.13 0.00 0.00 55.73 56.20 1j3b s ARG 3 Cb 0.00 -0.07 0.26 0.00 -1.56 0.00 0.00 34.95 33.58 1j3b s ARG 3 CO 0.00 -0.12 1.29 1.28 -0.81 0.00 0.00 175.30 176.94 1j3b n LEU 4 N 3.79 2.53 -0.20 -0.88 4.77 -1.26 -4.50 117.00 121.25 1j3b n LEU 4 Ca -0.21 -0.86 0.18 0.00 -0.03 0.00 0.00 56.01 55.09 1j3b n LEU 4 Cb 0.54 -0.00 0.53 0.00 -2.33 0.00 0.00 43.42 42.16 1j3b n LEU 4 CO 0.18 0.43 1.22 -0.33 -1.33 0.00 0.00 177.39 177.56 1j3b h GLU 5 N 3.78 0.36 0.00 3.23 3.07 -1.95 0.22 114.58 123.29 1j3b h GLU 5 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1j3b h GLU 5 Cb 0.87 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1j3b h GLU 5 CO 0.00 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.85 1j3b n ALA 6 N -2.53 1.28 1.02 3.43 0.00 -1.26 -0.65 120.51 121.79 1j3b n ALA 6 Ca 0.17 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1j3b n ALA 6 Cb 0.64 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.85 1j3b n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j3b n LEU 7 N -1.98 1.32 0.00 0.00 4.77 0.76 -4.94 117.00 116.94 1j3b n LEU 7 Ca 0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1j3b n LEU 7 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1j3b n LEU 7 CO 0.11 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1j3b n GLY 8 N 1.46 0.80 3.76 -0.72 0.00 0.17 -4.99 105.19 105.67 1j3b n GLY 8 Ca 0.07 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1j3b n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3b s ILE 9 N -2.00 5.41 -0.55 -0.61 1.01 -1.20 -4.73 121.20 118.52 1j3b s ILE 9 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1j3b s ILE 9 Cb 0.00 -3.49 0.16 0.00 0.01 0.00 0.00 42.46 39.14 1j3b s ILE 9 CO 0.00 0.47 0.37 -1.00 0.00 0.00 0.00 174.94 174.78 1j3b s HIS 10 N 0.07 2.62 -0.31 3.97 3.76 -1.26 -3.28 115.29 120.86 1j3b s HIS 10 Ca 0.11 -2.88 -0.43 0.00 -0.15 0.00 0.00 55.06 51.71 1j3b s HIS 10 Cb -0.12 -2.15 -0.18 0.00 1.11 0.00 0.00 32.58 31.24 1j3b s HIS 10 CO 0.00 -0.69 1.57 -2.30 -0.85 0.00 0.00 174.74 172.48 1j3b n PRO 11 N 2.70 0.54 -0.02 8.40 -0.02 -1.26 -4.77 135.00 140.57 1j3b n PRO 11 Ca 0.17 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1j3b n PRO 11 Cb 0.37 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 1j3b n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j3b n LYS 12 N 4.10 0.65 0.00 -0.52 4.76 0.34 -4.98 118.16 122.51 1j3b n LYS 12 Ca 0.27 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1j3b n LYS 12 Cb 0.05 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1j3b n LYS 12 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j3b n LYS 13 N -2.25 3.25 -3.19 1.97 4.76 -1.26 -5.02 118.16 116.42 1j3b n LYS 13 Ca -0.07 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.10 1j3b n LYS 13 Cb 0.59 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.76 1j3b n LYS 13 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1j3b s ARG 14 N 4.41 3.59 -0.12 1.97 0.52 -1.26 -4.97 118.95 123.09 1j3b s ARG 14 Ca 0.00 -0.00 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1j3b s ARG 14 Cb 0.00 -2.58 0.03 0.00 0.52 0.00 0.00 34.95 32.92 1j3b s ARG 14 CO 0.00 0.11 -0.04 0.08 0.02 0.00 0.00 175.30 175.46 1j3b s VAL 15 N -2.28 0.86 -0.41 3.52 1.01 -1.26 -1.33 120.40 120.52 1j3b s VAL 15 Ca 0.44 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1j3b s VAL 15 Cb -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1j3b s VAL 15 CO 0.34 0.24 0.29 -0.36 0.00 0.00 0.00 175.10 175.61 1j3b s PHE 16 N 1.76 3.25 -0.16 5.22 0.40 0.74 -4.98 117.98 124.21 1j3b s PHE 16 Ca 0.03 -0.77 -0.16 0.00 -0.60 0.00 0.00 56.93 55.43 1j3b s PHE 16 Cb -0.13 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1j3b s PHE 16 CO -0.07 -0.65 0.39 -1.58 0.70 0.00 0.00 175.22 174.01 1j3b s TRP 17 N 1.63 3.45 -1.74 0.36 0.52 -1.26 -0.60 118.94 121.31 1j3b s TRP 17 Ca 0.04 0.71 -0.20 0.00 0.02 0.00 0.00 56.10 56.67 1j3b s TRP 17 Cb -0.20 -2.47 0.18 0.00 -1.15 0.00 0.00 33.47 29.82 1j3b s TRP 17 CO 0.08 0.14 0.74 0.09 0.02 0.00 0.00 176.95 178.02 1j3b n ASN 18 N 3.87 -3.00 -4.67 2.95 3.02 0.95 -4.86 115.26 113.53 1j3b n ASN 18 Ca -0.09 -1.05 -0.44 0.00 -0.03 0.00 0.00 54.58 52.97 1j3b n ASN 18 Cb 0.52 -2.48 -0.02 0.00 -0.61 0.00 0.00 39.78 37.19 1j3b n ASN 18 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1j3b n THR 19 N -4.29 1.41 -1.74 3.41 -1.04 -1.26 -4.97 114.28 105.80 1j3b n THR 19 Ca 0.09 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 1j3b n THR 19 Cb 0.48 -1.45 0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1j3b n THR 19 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1j3b s VAL 20 N -0.51 4.31 0.17 12.58 -7.23 -1.26 -4.85 120.40 123.60 1j3b s VAL 20 Ca 0.63 0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 61.39 1j3b s VAL 20 Cb -0.63 -3.60 0.09 0.00 0.56 0.00 0.00 36.38 32.80 1j3b s VAL 20 CO 0.55 -0.95 1.65 0.28 -0.31 0.00 0.00 175.10 176.31 1j3b h SER 21 N -0.46 -0.55 -0.79 4.85 0.02 -1.99 -2.12 113.55 112.51 1j3b h SER 21 Ca -0.44 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1j3b h SER 21 Cb 1.20 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 1j3b h SER 21 CO 0.59 -0.19 0.52 1.55 -1.14 0.00 0.00 176.83 178.16 1j3b h PRO 22 N -0.09 0.77 -0.35 3.45 0.13 -1.99 -0.16 132.00 133.75 1j3b h PRO 22 Ca 0.19 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 1j3b h PRO 22 Cb 0.37 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1j3b h PRO 22 CO -0.44 0.51 -0.31 0.28 -0.23 0.00 0.00 178.00 177.81 1j3b h VAL 23 N 0.79 1.28 -0.62 1.56 2.07 -1.81 -0.93 116.25 118.59 1j3b h VAL 23 Ca 0.36 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1j3b h VAL 23 Cb 0.35 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1j3b h VAL 23 CO -0.13 0.49 0.27 -0.07 0.02 0.00 0.00 177.57 178.15 1j3b h LEU 24 N 0.62 0.80 -0.10 2.57 3.38 -0.71 -0.66 115.31 121.21 1j3b h LEU 24 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j3b h LEU 24 Cb 0.89 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1j3b h LEU 24 CO 0.08 0.70 0.03 0.58 0.09 0.00 0.00 178.44 179.92 1j3b h VAL 25 N 0.88 1.19 -0.56 1.22 2.07 -0.80 -1.01 116.25 119.24 1j3b h VAL 25 Ca 0.21 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1j3b h VAL 25 Cb 0.13 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1j3b h VAL 25 CO -0.02 0.17 0.21 -0.33 0.02 0.00 0.00 177.57 177.62 1j3b h GLU 26 N -0.04 0.39 -0.52 1.57 5.08 -0.69 -0.48 114.58 119.89 1j3b h GLU 26 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1j3b h GLU 26 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1j3b h GLU 26 CO 0.00 0.26 0.10 0.45 -1.00 0.00 0.00 179.01 178.82 1j3b h HIS 27 N 0.40 0.89 -0.30 4.33 3.86 -1.01 -0.45 115.15 122.87 1j3b h HIS 27 Ca 0.27 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1j3b h HIS 27 Cb 0.30 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1j3b h HIS 27 CO -0.16 0.80 0.12 1.15 0.86 0.00 0.00 177.93 180.70 1j3b h THR 28 N 0.73 0.94 -0.09 2.45 2.02 -0.57 0.17 112.91 118.55 1j3b h THR 28 Ca 0.16 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1j3b h THR 28 Cb 0.37 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1j3b h THR 28 CO 0.01 0.05 0.05 -0.07 0.37 0.00 0.00 175.52 175.93 1j3b h LEU 29 N 0.26 0.11 -1.39 2.58 3.38 -0.90 -0.31 115.31 119.03 1j3b h LEU 29 Ca 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j3b h LEU 29 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1j3b h LEU 29 CO -0.12 0.15 0.28 -0.07 0.09 0.00 0.00 178.44 178.76 1j3b h LEU 30 N 0.07 0.61 -0.25 1.67 3.38 -0.81 -0.90 115.31 119.07 1j3b h LEU 30 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j3b h LEU 30 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1j3b h LEU 30 CO -0.01 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.56 1j3b n ARG 31 N -4.41 1.17 -2.38 1.13 1.74 0.02 -4.89 116.66 109.04 1j3b n ARG 31 Ca 0.04 -0.25 -0.15 0.00 -0.77 0.00 0.00 57.85 56.72 1j3b n ARG 31 Cb 0.10 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1j3b n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3b n GLY 32 N 1.00 -0.23 0.95 -0.13 0.00 -0.34 -4.91 105.19 101.54 1j3b n GLY 32 Ca 0.20 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1j3b n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3b n GLU 33 N -2.54 2.28 -3.68 1.61 1.02 -0.17 -5.01 120.64 114.14 1j3b n GLU 33 Ca -0.16 -2.09 -0.02 0.00 -0.02 0.00 0.00 57.16 54.87 1j3b n GLU 33 Cb 0.62 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1j3b n GLU 33 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j3b s GLY 34 N -1.27 -0.32 0.04 0.62 0.00 -1.23 -4.60 107.32 100.56 1j3b s GLY 34 Ca 0.32 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.49 1j3b s GLY 34 CO 0.26 0.08 -0.05 1.08 0.00 0.00 0.00 173.10 174.47 1j3b s LEU 35 N -2.91 2.30 -0.03 0.66 1.43 -0.82 -4.50 118.68 114.82 1j3b s LEU 35 Ca 0.13 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 1j3b s LEU 35 Cb 0.01 0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 1j3b s LEU 35 CO -0.01 -0.33 0.57 -0.76 0.23 0.00 0.00 176.35 176.05 1j3b s LEU 36 N -1.84 4.39 0.45 1.79 1.43 -1.26 -0.03 118.68 123.59 1j3b s LEU 36 Ca -0.08 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 1j3b s LEU 36 Cb -0.06 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1j3b s LEU 36 CO -0.02 0.09 0.56 0.00 0.23 0.00 0.00 176.35 177.21 1j3b s ALA 37 N -0.04 4.47 0.01 4.21 0.00 -0.02 -4.93 121.76 125.46 1j3b s ALA 37 Ca 0.30 -1.77 -0.38 0.00 0.00 0.00 0.00 51.96 50.12 1j3b s ALA 37 Cb -0.17 -1.47 -0.17 0.00 0.00 0.00 0.00 23.12 21.30 1j3b s ALA 37 CO 0.16 -0.36 1.41 1.58 0.00 0.00 0.00 175.76 178.54 1j3b n HIS 38 N -1.85 1.58 -0.99 0.00 -0.00 0.23 -0.99 115.22 113.20 1j3b n HIS 38 Ca 0.08 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.91 1j3b n HIS 38 Cb 0.60 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 1j3b n HIS 38 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1j3b n HIS 39 N 3.04 0.00 0.00 1.57 8.25 -1.26 -4.36 115.22 122.46 1j3b n HIS 39 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1j3b n HIS 39 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1j3b n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j3b n GLY 40 N -2.17 2.29 3.74 -1.41 0.00 -0.16 -3.56 105.19 103.92 1j3b n GLY 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1j3b n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j3b s PRO 41 N -0.58 2.53 -0.26 1.61 0.04 -1.20 -4.18 135.00 132.96 1j3b s PRO 41 Ca 0.00 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.55 1j3b s PRO 41 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1j3b s PRO 41 CO 0.00 -1.51 0.27 -1.17 0.04 0.00 0.00 177.00 174.63 1j3b s LEU 42 N -4.85 4.06 -0.18 -3.56 2.96 0.47 -0.84 118.68 116.75 1j3b s LEU 42 Ca 0.72 0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.64 1j3b s LEU 42 Cb -0.26 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1j3b s LEU 42 CO 0.41 -0.07 0.36 -0.69 -1.32 0.00 0.00 176.35 175.05 1j3b s VAL 43 N 1.67 5.24 0.27 1.68 1.01 0.95 0.23 120.40 131.46 1j3b s VAL 43 Ca 0.11 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.82 1j3b s VAL 43 Cb -0.15 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1j3b s VAL 43 CO 0.09 0.31 -0.05 0.68 0.00 0.00 0.00 175.10 176.13 1j3b s VAL 44 N 0.95 1.55 -0.09 2.92 -7.23 -0.19 -1.95 120.40 116.37 1j3b s VAL 44 Ca 0.19 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1j3b s VAL 44 Cb -0.14 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.38 1j3b s VAL 44 CO 0.07 -0.30 -0.07 -0.62 -0.31 0.00 0.00 175.10 173.87 1j3b s ASP 45 N -3.42 1.88 0.00 4.85 -1.08 -1.26 0.04 116.67 117.67 1j3b s ASP 45 Ca 0.29 -0.25 0.11 0.00 -0.52 0.00 0.00 52.55 52.19 1j3b s ASP 45 Cb 0.04 -0.74 0.25 0.00 -1.46 0.00 0.00 42.92 41.01 1j3b s ASP 45 CO 0.11 -0.09 1.14 0.35 0.52 0.00 0.00 175.17 177.20 1j3b n THR 46 N 4.64 0.67 -1.58 1.71 -2.24 -1.26 -4.96 114.28 111.26 1j3b n THR 46 Ca -0.15 -0.84 -0.39 0.00 -2.27 0.00 0.00 64.05 60.40 1j3b n THR 46 Cb 0.50 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 1j3b n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3b n THR 47 N 0.60 2.99 1.71 4.28 -2.24 -1.26 -1.68 114.28 118.68 1j3b n THR 47 Ca 0.10 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1j3b n THR 47 Cb 0.39 -1.03 0.80 0.00 -2.10 0.00 0.00 70.33 68.39 1j3b n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1j3b n PRO 48 N -0.45 0.89 -3.07 -0.78 -0.04 -1.26 -5.00 135.00 125.29 1j3b n PRO 48 Ca 0.12 -0.15 -0.45 0.00 -0.04 0.00 0.00 63.50 62.98 1j3b n PRO 48 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1j3b n PRO 48 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j3b s TYR 49 N -2.21 3.34 -0.53 0.54 2.02 -0.68 -4.83 117.35 115.01 1j3b s TYR 49 Ca 0.39 -1.59 0.15 0.00 -0.37 0.00 0.00 57.07 55.66 1j3b s TYR 49 Cb 0.21 -4.11 0.79 0.00 -0.40 0.00 0.00 41.96 38.45 1j3b s TYR 49 CO 0.41 -1.31 1.72 0.25 -1.57 0.00 0.00 175.55 175.04 1j3b n THR 50 N 4.96 2.48 -3.87 -0.71 -2.24 -1.26 -3.92 114.28 109.73 1j3b n THR 50 Ca 0.19 -1.35 -0.03 0.00 -2.27 0.00 0.00 64.05 60.59 1j3b n THR 50 Cb 0.48 -0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1j3b n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j3b s GLY 51 N -0.84 0.09 0.81 3.38 0.00 -1.26 -4.74 107.32 104.75 1j3b s GLY 51 Ca 0.54 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 1j3b s GLY 51 CO 0.19 2.15 1.13 0.50 0.00 0.00 0.00 173.10 177.06 1j3b s ARG 52 N -2.27 1.82 -0.67 2.90 0.52 -1.26 -4.87 118.95 115.12 1j3b s ARG 52 Ca 0.21 1.41 0.05 0.00 -0.52 0.00 0.00 55.73 56.88 1j3b s ARG 52 Cb -0.02 -1.83 0.20 0.00 0.52 0.00 0.00 34.95 33.82 1j3b s ARG 52 CO 0.05 -2.01 0.60 0.43 0.02 0.00 0.00 175.30 174.39 1j3b n SER 53 N -3.59 3.24 -0.33 0.23 7.64 -1.26 -4.96 113.62 114.60 1j3b n SER 53 Ca 0.11 -3.29 0.14 0.00 1.01 0.00 0.00 58.87 56.84 1j3b n SER 53 Cb 0.52 -0.72 0.36 0.00 -1.01 0.00 0.00 64.21 63.37 1j3b n SER 53 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1j3b h PRO 54 N 4.87 0.68 0.00 1.43 0.11 -1.97 -0.69 132.00 136.43 1j3b h PRO 54 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1j3b h PRO 54 Cb 0.72 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1j3b h PRO 54 CO 0.76 0.45 0.00 1.63 -0.21 0.00 0.00 178.00 180.63 1j3b n LYS 55 N -4.68 0.07 -0.29 1.05 5.02 -1.26 -2.51 118.16 115.55 1j3b n LYS 55 Ca 0.22 0.32 0.09 0.00 -2.02 0.00 0.00 58.31 56.92 1j3b n LYS 55 Cb 0.58 -1.63 0.21 0.00 -0.02 0.00 0.00 35.03 34.17 1j3b n LYS 55 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1j3b n ASP 56 N -1.76 3.27 -4.69 4.39 8.00 -0.27 -4.90 116.55 120.60 1j3b n ASP 56 Ca 0.03 -2.94 -0.36 0.00 0.71 0.00 0.00 54.79 52.23 1j3b n ASP 56 Cb 0.18 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1j3b n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1j3b s LYS 57 N -2.66 4.12 0.12 -1.24 2.20 -1.04 -1.34 119.74 119.91 1j3b s LYS 57 Ca 0.36 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 1j3b s LYS 57 Cb 0.30 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1j3b s LYS 57 CO 0.07 0.17 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.08 1j3b s PHE 58 N 0.75 1.11 -0.09 4.03 0.08 0.73 -3.83 117.98 120.76 1j3b s PHE 58 Ca 0.08 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1j3b s PHE 58 Cb -0.12 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1j3b s PHE 58 CO 0.02 -0.00 -0.18 0.08 -0.10 0.00 0.00 175.22 175.04 1j3b s VAL 59 N -3.22 1.60 0.16 -0.44 1.01 -0.30 -1.09 120.40 118.11 1j3b s VAL 59 Ca 0.13 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 1j3b s VAL 59 Cb 0.02 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1j3b s VAL 59 CO -0.01 0.46 1.51 -0.69 0.00 0.00 0.00 175.10 176.37 1j3b s VAL 60 N 0.64 2.77 -1.09 2.92 1.01 -0.09 -2.01 120.40 124.56 1j3b s VAL 60 Ca -0.14 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.20 1j3b s VAL 60 Cb -0.16 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1j3b s VAL 60 CO 0.04 0.05 1.48 -0.60 0.00 0.00 0.00 175.10 176.07 1j3b s ARG 61 N 0.95 3.72 0.03 2.72 3.52 0.59 -4.82 118.95 125.65 1j3b s ARG 61 Ca 0.68 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1j3b s ARG 61 Cb -0.42 -5.33 -0.04 0.00 -1.56 0.00 0.00 34.95 27.60 1j3b s ARG 61 CO 0.32 -2.14 0.10 -1.21 -0.81 0.00 0.00 175.30 171.57 1j3b s GLU 62 N 4.29 3.09 0.40 5.12 2.02 -1.26 -4.41 118.70 127.95 1j3b s GLU 62 Ca 0.46 -0.52 0.17 0.00 0.02 0.00 0.00 54.97 55.09 1j3b s GLU 62 Cb 0.00 -2.86 1.05 0.00 0.10 0.00 0.00 34.13 32.42 1j3b s GLU 62 CO -0.05 0.62 1.82 -1.35 0.02 0.00 0.00 175.26 176.32 1j3b h PRO 63 N 3.72 0.43 -0.82 0.39 0.11 -1.99 0.28 132.00 134.13 1j3b h PRO 63 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j3b h PRO 63 Cb 1.17 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1j3b h PRO 63 CO 0.65 0.29 0.53 0.93 -0.21 0.00 0.00 178.00 180.19 1j3b h GLU 64 N 0.45 1.09 0.00 1.05 3.07 -1.99 -3.31 114.58 114.94 1j3b h GLU 64 Ca 0.52 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1j3b h GLU 64 Cb 1.24 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1j3b h GLU 64 CO -0.23 0.73 0.00 1.33 -1.40 0.00 0.00 179.01 179.44 1j3b n VAL 65 N -4.40 0.21 -0.31 3.13 0.24 -0.41 -4.79 118.33 112.00 1j3b n VAL 65 Ca 0.09 -0.60 0.10 0.00 -2.04 0.00 0.00 64.34 61.89 1j3b n VAL 65 Cb 0.03 0.90 0.27 0.00 -1.47 0.00 0.00 33.84 33.58 1j3b n VAL 65 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1j3b h GLU 66 N 0.00 0.60 -0.21 7.34 4.81 -0.59 -0.22 114.58 126.31 1j3b h GLU 66 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1j3b h GLU 66 Cb 0.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1j3b h GLU 66 CO 0.00 0.40 0.00 0.41 -0.73 0.00 0.00 179.01 179.09 1j3b n GLY 67 N -1.33 0.39 0.02 1.92 0.00 -1.26 -4.17 105.19 100.77 1j3b n GLY 67 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1j3b n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j3b n GLU 68 N 0.38 3.19 -2.41 1.61 2.13 -0.21 -5.04 120.64 120.28 1j3b n GLU 68 Ca 0.15 -0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.59 1j3b n GLU 68 Cb 0.33 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 30.88 1j3b n GLU 68 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1j3b s ILE 69 N -2.12 3.40 -1.29 6.31 -1.09 -0.49 -4.72 121.20 121.21 1j3b s ILE 69 Ca -0.02 1.22 -0.16 0.00 -2.23 0.00 0.00 60.65 59.46 1j3b s ILE 69 Cb 0.01 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 1j3b s ILE 69 CO 0.20 0.15 1.72 1.87 -1.23 0.00 0.00 174.94 177.65 1j3b n TRP 70 N 0.39 4.51 -1.98 3.97 -0.00 -0.07 -4.94 117.44 119.32 1j3b n TRP 70 Ca 0.03 -3.00 -0.41 0.00 -0.00 0.00 0.00 57.50 54.11 1j3b n TRP 70 Cb 0.47 -2.45 -0.02 0.00 -0.00 0.00 0.00 31.31 29.31 1j3b n TRP 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1j3b s TRP 71 N 3.08 2.89 -4.83 5.87 0.52 -1.26 -4.04 118.94 121.17 1j3b s TRP 71 Ca 0.49 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.82 1j3b s TRP 71 Cb 0.04 -3.84 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 1j3b s TRP 71 CO 0.03 -2.49 0.00 0.41 0.02 0.00 0.00 176.95 174.92 1j3b n GLY 72 N 1.11 -0.50 0.26 0.98 0.00 -0.30 -4.89 105.19 101.85 1j3b n GLY 72 Ca 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1j3b n GLY 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j3b h GLU 73 N 0.00 0.52 0.14 1.61 4.11 -2.01 -3.10 114.58 115.85 1j3b h GLU 73 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1j3b h GLU 73 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1j3b h GLU 73 CO 0.00 0.63 -0.07 0.28 0.07 0.00 0.00 179.01 179.92 1j3b h VAL 74 N 0.48 0.82 -3.56 -1.06 2.07 -1.92 -3.40 116.25 109.67 1j3b h VAL 74 Ca 0.09 -1.20 -0.72 0.00 0.82 0.00 0.00 66.70 65.68 1j3b h VAL 74 Cb 0.49 1.41 -0.32 0.00 -1.52 0.00 0.00 31.29 31.34 1j3b h VAL 74 CO 0.03 0.23 -0.27 0.20 0.02 0.00 0.00 177.57 177.77 1j3b s ASN 75 N -5.52 5.68 -0.09 0.57 0.01 -1.21 -4.81 114.94 109.57 1j3b s ASN 75 Ca -0.12 -2.59 -0.25 0.00 -0.71 0.00 0.00 52.86 49.19 1j3b s ASN 75 Cb 0.00 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 1j3b s ASN 75 CO 0.44 -0.49 0.80 -1.10 -1.51 0.00 0.00 177.10 175.24 1j3b s GLN 76 N 0.33 4.42 0.46 -0.60 -0.21 -1.17 -1.15 119.66 121.72 1j3b s GLN 76 Ca 0.15 1.03 -0.23 0.00 0.02 0.00 0.00 55.36 56.33 1j3b s GLN 76 Cb -0.19 -3.49 -0.07 0.00 1.00 0.00 0.00 33.01 30.25 1j3b s GLN 76 CO -0.04 -0.09 1.18 -1.25 -2.12 0.00 0.00 175.29 172.97 1j3b s PRO 77 N 1.29 3.75 -0.03 2.91 0.04 -1.26 -1.15 135.00 140.54 1j3b s PRO 77 Ca 0.41 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1j3b s PRO 77 Cb -0.18 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1j3b s PRO 77 CO 0.18 -0.57 -0.03 0.12 0.04 0.00 0.00 177.00 176.74 1j3b s PHE 78 N -1.52 0.51 0.29 0.56 5.36 -0.85 -4.84 117.98 117.48 1j3b s PHE 78 Ca 0.63 -0.10 -0.30 0.00 -0.96 0.00 0.00 56.93 56.21 1j3b s PHE 78 Cb -0.29 -0.49 -0.11 0.00 -0.34 0.00 0.00 43.02 41.78 1j3b s PHE 78 CO 0.36 -0.14 1.49 0.00 -1.46 0.00 0.00 175.22 175.48 1j3b s ALA 79 N 0.81 3.66 0.54 11.12 0.00 -1.26 -0.30 121.76 136.33 1j3b s ALA 79 Ca -0.09 1.45 0.22 0.00 0.00 0.00 0.00 51.96 53.53 1j3b s ALA 79 Cb -0.13 -3.59 1.44 0.00 0.00 0.00 0.00 23.12 20.84 1j3b s ALA 79 CO -0.01 -0.87 2.14 -1.00 0.00 0.00 0.00 175.76 176.03 1j3b h PRO 80 N 4.59 0.00 -0.33 0.00 0.13 -1.94 -0.34 132.00 134.11 1j3b h PRO 80 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1j3b h PRO 80 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1j3b h PRO 80 CO 0.76 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.22 1j3b h GLU 81 N 0.00 0.75 -0.26 0.86 3.07 -1.96 -1.37 114.58 115.66 1j3b h GLU 81 Ca 0.05 -0.36 -0.11 0.00 -0.50 0.00 0.00 59.36 58.44 1j3b h GLU 81 Cb 0.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1j3b h GLU 81 CO -0.00 0.98 -0.30 0.00 -1.40 0.00 0.00 179.01 178.29 1j3b h ALA 82 N 0.76 1.00 -0.26 3.43 0.00 -1.65 -1.47 119.26 121.07 1j3b h ALA 82 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1j3b h ALA 82 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1j3b h ALA 82 CO 0.06 0.60 -0.01 0.35 0.00 0.00 0.00 179.25 180.25 1j3b h PHE 83 N 0.46 0.51 -0.10 0.00 3.57 -0.97 -2.32 116.94 118.09 1j3b h PHE 83 Ca 0.06 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1j3b h PHE 83 Cb 0.75 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1j3b h PHE 83 CO 0.03 0.63 0.07 1.49 -2.23 0.00 0.00 178.31 178.30 1j3b h GLU 84 N 0.23 0.13 -0.04 1.11 4.57 -1.10 0.32 114.58 119.80 1j3b h GLU 84 Ca 0.07 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1j3b h GLU 84 Cb 0.44 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 1j3b h GLU 84 CO 0.02 0.09 -0.28 0.00 -1.18 0.00 0.00 179.01 177.65 1j3b h ALA 85 N 1.04 -0.36 -0.25 2.92 0.00 -1.24 0.13 119.26 121.50 1j3b h ALA 85 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j3b h ALA 85 Cb -0.01 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j3b h ALA 85 CO -0.01 -0.77 0.13 1.25 0.00 0.00 0.00 179.25 179.85 1j3b h LEU 86 N -0.40 0.31 -0.45 0.00 5.85 -1.27 -2.64 115.31 116.71 1j3b h LEU 86 Ca 0.07 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1j3b h LEU 86 Cb 0.51 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1j3b h LEU 86 CO -0.27 0.32 0.09 0.22 -0.34 0.00 0.00 178.44 178.46 1j3b h TYR 87 N 0.28 0.14 -0.86 1.25 3.20 0.07 -0.89 116.97 120.16 1j3b h TYR 87 Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1j3b h TYR 87 Cb 0.08 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1j3b h TYR 87 CO -0.03 0.00 0.56 1.96 -1.64 0.00 0.00 178.16 179.02 1j3b h GLN 88 N 0.22 1.05 -0.63 1.82 1.08 -0.60 -0.71 115.11 117.34 1j3b h GLN 88 Ca 0.22 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1j3b h GLN 88 Cb 0.29 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1j3b h GLN 88 CO -0.29 0.69 0.12 0.00 -0.95 0.00 0.00 178.83 178.40 1j3b h ARG 89 N 1.08 1.02 -0.25 1.46 3.08 -0.85 -2.08 114.38 117.84 1j3b h ARG 89 Ca 0.34 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1j3b h ARG 89 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1j3b h ARG 89 CO -0.10 0.92 -0.25 0.28 -1.07 0.00 0.00 179.97 179.76 1j3b h VAL 90 N 0.96 1.31 0.00 2.04 2.07 -0.20 -1.47 116.25 120.96 1j3b h VAL 90 Ca 0.20 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1j3b h VAL 90 Cb 0.39 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1j3b h VAL 90 CO 0.01 0.44 -0.26 -0.37 0.02 0.00 0.00 177.57 177.41 1j3b h VAL 91 N 0.32 0.88 -0.19 2.57 -1.51 -1.12 0.15 116.25 117.34 1j3b h VAL 91 Ca 0.04 -1.01 -0.11 0.00 -1.23 0.00 0.00 66.70 64.38 1j3b h VAL 91 Cb 0.80 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1j3b h VAL 91 CO 0.06 0.26 -0.32 1.56 -1.23 0.00 0.00 177.57 177.89 1j3b h GLN 92 N 0.00 0.56 -0.09 5.19 4.20 -1.23 -1.54 115.11 122.20 1j3b h GLN 92 Ca -0.00 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1j3b h GLN 92 Cb 0.58 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1j3b h GLN 92 CO 0.03 0.95 0.06 -0.92 -0.67 0.00 0.00 178.83 178.28 1j3b h TYR 93 N 0.22 0.12 -0.24 2.96 3.20 -0.65 -2.86 116.97 119.72 1j3b h TYR 93 Ca 0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1j3b h TYR 93 Cb 0.91 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1j3b h TYR 93 CO 0.09 0.11 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.60 1j3b h LEU 94 N 0.10 0.35 -2.18 2.82 3.38 -0.73 -2.54 115.31 116.49 1j3b h LEU 94 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1j3b h LEU 94 Cb 0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1j3b h LEU 94 CO -0.01 0.44 -0.05 0.28 0.09 0.00 0.00 178.44 179.20 1j3b h SER 95 N 0.36 0.00 0.44 -0.43 0.02 -1.04 -2.47 113.55 110.43 1j3b h SER 95 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1j3b h SER 95 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1j3b h SER 95 CO 0.01 0.05 0.00 -0.62 -1.14 0.00 0.00 176.83 175.13 1j3b n GLU 96 N -3.96 0.50 -4.24 3.45 4.71 -0.96 -0.50 120.64 119.64 1j3b n GLU 96 Ca -0.03 0.01 -0.14 0.00 -0.01 0.00 0.00 57.16 57.00 1j3b n GLU 96 Cb 0.14 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.97 1j3b n GLU 96 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1j3b s ARG 97 N -2.47 1.32 0.35 3.49 1.70 -0.93 -4.76 118.95 117.64 1j3b s ARG 97 Ca 0.30 -1.71 -0.28 0.00 -0.47 0.00 0.00 55.73 53.57 1j3b s ARG 97 Cb 0.19 0.17 -0.12 0.00 -0.57 0.00 0.00 34.95 34.63 1j3b s ARG 97 CO 0.42 -0.41 1.41 -0.25 -1.08 0.00 0.00 175.30 175.40 1j3b n ASP 98 N -0.47 3.34 -4.28 -2.89 10.43 -1.26 -4.53 116.55 116.89 1j3b n ASP 98 Ca 0.02 1.21 -0.26 0.00 2.57 0.00 0.00 54.79 58.34 1j3b n ASP 98 Cb 0.66 -1.56 -0.14 0.00 1.84 0.00 0.00 41.12 41.92 1j3b n ASP 98 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1j3b s LEU 99 N -1.44 2.22 -0.11 0.64 1.43 -0.44 -4.59 118.68 116.39 1j3b s LEU 99 Ca 0.55 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1j3b s LEU 99 Cb -0.52 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1j3b s LEU 99 CO 0.62 0.14 -0.23 -0.31 0.23 0.00 0.00 176.35 176.79 1j3b s TYR 100 N -0.93 2.58 -0.02 0.29 1.51 0.11 -0.18 117.35 120.71 1j3b s TYR 100 Ca 0.08 -1.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.09 1j3b s TYR 100 Cb -0.09 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 1j3b s TYR 100 CO 0.03 -0.47 -0.26 0.08 -1.11 0.00 0.00 175.55 173.82 1j3b s VAL 101 N 0.48 2.04 -0.06 0.71 1.01 0.23 -0.84 120.40 123.96 1j3b s VAL 101 Ca -0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1j3b s VAL 101 Cb -0.17 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1j3b s VAL 101 CO 0.06 0.58 -0.01 -1.10 0.00 0.00 0.00 175.10 174.63 1j3b s GLN 102 N -0.59 0.65 -0.32 2.72 -1.52 -0.16 -0.03 119.66 120.41 1j3b s GLN 102 Ca 0.09 0.06 -0.17 0.00 -1.95 0.00 0.00 55.36 53.40 1j3b s GLN 102 Cb -0.10 -0.93 -0.01 0.00 -0.22 0.00 0.00 33.01 31.74 1j3b s GLN 102 CO -0.01 -0.25 0.45 -0.51 -0.25 0.00 0.00 175.29 174.72 1j3b s ASP 103 N 1.73 6.29 0.35 5.90 1.01 -1.26 -0.81 116.67 129.87 1j3b s ASP 103 Ca 0.01 0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.39 1j3b s ASP 103 Cb -0.13 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1j3b s ASP 103 CO -0.04 -0.37 0.22 -0.76 0.21 0.00 0.00 175.17 174.43 1j3b s LEU 104 N 2.24 1.80 0.03 1.23 1.43 0.82 -4.40 118.68 121.84 1j3b s LEU 104 Ca 0.17 -1.71 0.04 0.00 -1.03 0.00 0.00 54.13 51.60 1j3b s LEU 104 Cb -0.16 0.31 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1j3b s LEU 104 CO 0.12 -1.01 -0.12 -0.31 0.23 0.00 0.00 176.35 175.26 1j3b s TYR 105 N -3.40 1.09 -0.18 0.29 2.02 -0.23 0.47 117.35 117.41 1j3b s TYR 105 Ca 0.34 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1j3b s TYR 105 Cb 0.03 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1j3b s TYR 105 CO 0.22 0.01 -0.10 0.00 -1.57 0.00 0.00 175.55 174.11 1j3b s ALA 106 N -0.84 2.67 0.00 3.71 0.00 -0.52 -0.89 121.76 125.89 1j3b s ALA 106 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1j3b s ALA 106 Cb -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1j3b s ALA 106 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1j3b n GLY 107 N 4.22 1.62 0.20 0.00 0.00 0.54 -0.87 105.19 110.91 1j3b n GLY 107 Ca -0.19 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 44.95 1j3b n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 108 N 0.00 0.89 -1.94 4.61 0.00 -1.11 -3.40 119.26 118.31 1j3b h ALA 108 Ca 0.00 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 54.12 1j3b h ALA 108 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1j3b h ALA 108 CO 0.00 0.29 0.74 0.34 0.00 0.00 0.00 179.25 180.61 1j3b s ASP 109 N -6.24 6.73 0.54 0.00 3.68 -1.26 -4.88 116.67 115.24 1j3b s ASP 109 Ca 0.04 0.66 0.30 0.00 2.13 0.00 0.00 52.55 55.68 1j3b s ASP 109 Cb 0.08 -2.50 1.47 0.00 -1.45 0.00 0.00 42.92 40.51 1j3b s ASP 109 CO 0.68 -0.96 1.90 -0.09 0.13 0.00 0.00 175.17 176.83 1j3b h ARG 110 N 8.56 0.00 0.00 4.34 2.43 -1.97 -0.46 114.38 127.28 1j3b h ARG 110 Ca -0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1j3b h ARG 110 Cb 1.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1j3b h ARG 110 CO 1.03 0.00 -0.21 -0.09 -1.51 0.00 0.00 179.97 179.19 1j3b h ARG 111 N 0.00 0.00 -0.00 0.20 2.43 -1.95 -3.26 114.38 111.80 1j3b h ARG 111 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1j3b h ARG 111 Cb 1.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1j3b h ARG 111 CO -0.00 0.21 0.00 0.66 -1.51 0.00 0.00 179.97 179.32 1j3b n TYR 112 N -3.73 0.00 -1.58 2.20 4.02 -0.25 -5.07 117.16 112.75 1j3b n TYR 112 Ca -0.01 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 1j3b n TYR 112 Cb 0.32 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1j3b n TYR 112 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1j3b n ARG 113 N -0.02 1.14 -4.25 -0.72 1.85 -0.78 -4.91 116.66 108.97 1j3b n ARG 113 Ca 0.00 0.41 -0.34 0.00 -1.00 0.00 0.00 57.85 56.93 1j3b n ARG 113 Cb 0.02 -1.95 -0.14 0.00 -1.05 0.00 0.00 32.46 29.34 1j3b n ARG 113 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j3b s LEU 114 N -0.24 2.70 -0.23 2.89 2.96 -0.04 -4.96 118.68 121.76 1j3b s LEU 114 Ca 0.65 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 1j3b s LEU 114 Cb -0.55 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 1j3b s LEU 114 CO 0.56 0.05 1.25 0.00 -1.32 0.00 0.00 176.35 176.89 1j3b s ALA 115 N 1.04 3.54 -0.16 5.97 0.00 -1.26 -1.43 121.76 129.46 1j3b s ALA 115 Ca -0.00 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1j3b s ALA 115 Cb -0.15 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1j3b s ALA 115 CO -0.02 -1.41 -0.19 0.08 0.00 0.00 0.00 175.76 174.22 1j3b s VAL 116 N 3.83 2.24 -0.22 0.00 1.01 0.18 0.82 120.40 128.26 1j3b s VAL 116 Ca 0.54 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1j3b s VAL 116 Cb -0.19 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1j3b s VAL 116 CO 0.17 0.53 0.10 -0.60 0.00 0.00 0.00 175.10 175.30 1j3b s ARG 117 N 1.01 3.94 -0.19 2.72 3.52 -0.62 -0.12 118.95 129.21 1j3b s ARG 117 Ca -0.02 -0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1j3b s ARG 117 Cb -0.15 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1j3b s ARG 117 CO -0.05 0.09 -0.03 0.08 -0.81 0.00 0.00 175.30 174.58 1j3b s VAL 118 N 0.90 3.78 -0.19 7.11 1.01 0.01 -0.56 120.40 132.45 1j3b s VAL 118 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1j3b s VAL 118 Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1j3b s VAL 118 CO 0.03 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 1j3b s VAL 119 N 0.85 2.18 0.05 2.92 1.01 0.16 -0.99 120.40 126.58 1j3b s VAL 119 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1j3b s VAL 119 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1j3b s VAL 119 CO 0.02 0.45 0.00 0.28 0.00 0.00 0.00 175.10 175.85 1j3b s THR 120 N 1.28 0.18 -0.90 3.92 -1.32 -0.02 0.08 115.64 118.86 1j3b s THR 120 Ca 0.03 -1.49 0.24 0.00 -1.21 0.00 0.00 61.69 59.26 1j3b s THR 120 Cb -0.14 -1.18 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 1j3b s THR 120 CO -0.11 -0.82 1.34 -1.84 -2.21 0.00 0.00 174.62 170.97 1j3b n GLU 121 N 0.48 0.08 -3.70 7.08 0.28 -1.14 0.08 120.64 123.80 1j3b n GLU 121 Ca -0.17 0.01 -0.38 0.00 -0.16 0.00 0.00 57.16 56.47 1j3b n GLU 121 Cb 0.60 -1.54 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 1j3b n GLU 121 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j3b s SER 122 N -3.30 5.38 0.19 -1.84 0.15 -1.26 -4.85 113.70 108.17 1j3b s SER 122 Ca 0.09 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.10 1j3b s SER 122 Cb 0.16 -1.96 0.21 0.00 -1.71 0.00 0.00 66.02 62.73 1j3b s SER 122 CO 0.72 -0.17 1.74 -0.65 1.20 0.00 0.00 173.24 176.08 1j3b h PRO 123 N 8.31 0.32 0.00 5.44 0.11 -1.90 -2.00 132.00 142.27 1j3b h PRO 123 Ca -0.33 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1j3b h PRO 123 Cb 1.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1j3b h PRO 123 CO 0.61 0.21 -0.29 0.11 -0.21 0.00 0.00 178.00 178.43 1j3b h TRP 124 N 0.33 0.00 0.00 0.65 5.08 -1.95 -1.13 115.95 118.92 1j3b h TRP 124 Ca 0.26 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.11 1j3b h TRP 124 Cb 0.32 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 1j3b h TRP 124 CO -0.19 0.29 -0.57 0.45 -1.28 0.00 0.00 178.44 177.15 1j3b h HIS 125 N 0.00 0.00 -0.45 0.12 3.86 -1.84 0.73 115.15 117.57 1j3b h HIS 125 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1j3b h HIS 125 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1j3b h HIS 125 CO 0.00 0.57 -0.25 0.00 0.86 0.00 0.00 177.93 179.11 1j3b h ALA 126 N 1.43 0.70 -0.55 2.45 0.00 -0.56 -1.52 119.26 121.21 1j3b h ALA 126 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1j3b h ALA 126 Cb 1.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1j3b h ALA 126 CO 0.07 0.67 0.02 1.25 0.00 0.00 0.00 179.25 181.26 1j3b h LEU 127 N 0.81 0.94 -0.33 0.00 5.85 -0.79 -1.60 115.31 120.19 1j3b h LEU 127 Ca 0.10 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1j3b h LEU 127 Cb 0.82 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1j3b h LEU 127 CO 0.07 1.01 0.12 0.15 -0.34 0.00 0.00 178.44 179.45 1j3b h PHE 128 N 0.84 0.22 -0.76 1.25 3.04 -0.59 0.65 116.94 121.59 1j3b h PHE 128 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1j3b h PHE 128 Cb 0.51 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1j3b h PHE 128 CO 0.04 0.10 0.48 0.00 -2.02 0.00 0.00 178.31 176.91 1j3b h ALA 129 N 1.20 0.97 -0.71 2.41 0.00 -1.10 0.34 119.26 122.37 1j3b h ALA 129 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1j3b h ALA 129 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1j3b h ALA 129 CO -0.14 0.41 0.31 -0.09 0.00 0.00 0.00 179.25 179.74 1j3b h ARG 130 N 1.04 1.03 -0.00 0.00 2.43 -0.71 -0.91 114.38 117.25 1j3b h ARG 130 Ca 0.28 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1j3b h ARG 130 Cb -0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1j3b h ARG 130 CO -0.06 0.82 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.31 1j3b h ASN 131 N 1.01 0.01 -0.72 -3.80 2.35 -0.14 -3.36 115.58 110.94 1j3b h ASN 131 Ca 0.24 -0.57 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1j3b h ASN 131 Cb 0.15 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1j3b h ASN 131 CO -0.03 0.58 0.48 -0.03 -1.65 0.00 0.00 177.43 176.78 1j3b h MET 132 N -0.56 0.95 0.00 0.81 4.05 -0.18 -2.96 114.93 117.04 1j3b h MET 132 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1j3b h MET 132 Cb 0.58 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1j3b h MET 132 CO 0.00 0.63 0.00 1.19 0.23 0.00 0.00 176.91 178.96 1j3b n PHE 133 N -4.58 -0.96 -3.92 1.39 3.01 -0.36 -0.49 117.46 111.55 1j3b n PHE 133 Ca 0.07 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.17 1j3b n PHE 133 Cb 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.35 1j3b n PHE 133 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1j3b s ILE 134 N 1.61 3.82 0.36 4.37 1.01 -0.07 -3.22 121.20 129.08 1j3b s ILE 134 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 1j3b s ILE 134 Cb 0.00 -2.75 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 1j3b s ILE 134 CO 0.00 0.40 1.31 -0.76 0.00 0.00 0.00 174.94 175.89 1j3b s LEU 135 N 1.36 4.35 0.43 2.97 1.43 -1.26 -1.07 118.68 126.90 1j3b s LEU 135 Ca 0.04 2.68 0.17 0.00 -1.03 0.00 0.00 54.13 56.00 1j3b s LEU 135 Cb -0.15 -3.74 1.09 0.00 0.03 0.00 0.00 46.19 43.42 1j3b s LEU 135 CO 0.00 -0.65 1.90 -0.65 0.23 0.00 0.00 176.35 177.19 1j3b h PRO 136 N 3.13 0.37 0.00 1.29 0.11 -1.93 -0.41 132.00 134.55 1j3b h PRO 136 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j3b h PRO 136 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j3b h PRO 136 CO 0.64 0.25 0.00 0.07 -0.21 0.00 0.00 178.00 178.75 1j3b h ARG 137 N 0.38 0.00 0.00 1.05 0.11 -1.90 -1.64 114.38 112.39 1j3b h ARG 137 Ca 0.40 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.44 1j3b h ARG 137 Cb 0.99 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.06 1j3b h ARG 137 CO -0.13 0.00 -0.19 0.00 0.10 0.00 0.00 179.97 179.76 1j3b h ARG 138 N 0.00 0.00 -0.61 0.08 3.08 -1.43 -2.01 114.38 113.49 1j3b h ARG 138 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j3b h ARG 138 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1j3b h ARG 138 CO 0.00 0.19 0.00 1.19 -1.07 0.00 0.00 179.97 180.28 1j3b n PHE 139 N -3.61 1.08 0.00 3.04 3.01 -0.61 -5.12 117.46 115.25 1j3b n PHE 139 Ca -0.01 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1j3b n PHE 139 Cb 0.32 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1j3b n PHE 139 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3b n GLY 140 N 0.90 2.45 3.66 1.37 0.00 -0.76 -5.16 105.19 107.63 1j3b n GLY 140 Ca 0.18 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 45.01 1j3b n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b n ALA 147 N 0.00 1.20 -2.46 4.61 0.00 -1.26 -4.81 120.51 117.79 1j3b n ALA 147 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 1j3b n ALA 147 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 16.82 1j3b n ALA 147 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1j3b s PHE 148 N 4.79 3.17 -0.29 0.00 2.19 -1.26 -5.01 117.98 121.56 1j3b s PHE 148 Ca 0.93 1.20 0.02 0.00 0.33 0.00 0.00 56.93 59.42 1j3b s PHE 148 Cb -0.58 -3.42 0.07 0.00 -1.31 0.00 0.00 43.02 37.77 1j3b s PHE 148 CO 0.47 -1.33 -0.04 0.08 1.83 0.00 0.00 175.22 176.23 1j3b s VAL 149 N 2.33 2.39 0.25 3.12 1.01 -1.26 -5.10 120.40 123.13 1j3b s VAL 149 Ca 0.56 -1.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 1j3b s VAL 149 Cb -0.24 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.52 1j3b s VAL 149 CO 0.21 -0.20 1.56 -2.65 0.00 0.00 0.00 175.10 174.02 1j3b n PRO 150 N 4.43 2.44 -0.01 2.72 -0.02 -1.26 -4.70 135.00 138.61 1j3b n PRO 150 Ca -0.09 0.87 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1j3b n PRO 150 Cb 0.42 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 1j3b n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j3b n GLY 151 N 2.63 -0.94 3.56 -1.23 0.00 0.24 -4.96 105.19 104.48 1j3b n GLY 151 Ca 0.12 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1j3b n GLY 151 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j3b s PHE 152 N -3.21 -0.55 -0.04 1.61 2.19 -0.87 -4.90 117.98 112.21 1j3b s PHE 152 Ca -0.01 1.02 0.03 0.00 0.33 0.00 0.00 56.93 58.30 1j3b s PHE 152 Cb 0.14 0.41 0.01 0.00 -1.31 0.00 0.00 43.02 42.27 1j3b s PHE 152 CO 0.86 -0.46 -0.10 0.99 1.83 0.00 0.00 175.22 178.33 1j3b s THR 153 N -0.92 0.90 -0.27 0.12 2.01 -0.54 -1.58 115.64 115.36 1j3b s THR 153 Ca -0.06 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1j3b s THR 153 Cb -0.01 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1j3b s THR 153 CO 0.05 0.28 0.13 -0.69 -0.69 0.00 0.00 174.62 173.71 1j3b s VAL 154 N 0.32 4.79 -0.41 3.82 1.01 0.28 -0.92 120.40 129.29 1j3b s VAL 154 Ca -0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1j3b s VAL 154 Cb -0.11 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1j3b s VAL 154 CO 0.01 0.28 0.28 -0.69 0.00 0.00 0.00 175.10 174.97 1j3b s VAL 155 N 1.68 4.90 -0.33 2.92 1.01 0.70 -0.66 120.40 130.63 1j3b s VAL 155 Ca 0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1j3b s VAL 155 Cb -0.16 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1j3b s VAL 155 CO 0.07 -0.35 0.08 -2.28 0.00 0.00 0.00 175.10 172.63 1j3b s HIS 156 N 1.60 3.23 -0.53 5.22 2.46 0.11 -1.38 115.29 126.01 1j3b s HIS 156 Ca 0.03 -1.42 0.06 0.00 0.47 0.00 0.00 55.06 54.20 1j3b s HIS 156 Cb -0.20 -2.24 0.23 0.00 -0.13 0.00 0.00 32.58 30.23 1j3b s HIS 156 CO 0.07 -0.72 0.58 0.00 -2.47 0.00 0.00 174.74 172.20 1j3b n ALA 157 N 4.79 3.22 -0.01 1.58 0.00 0.38 -2.91 120.51 127.57 1j3b n ALA 157 Ca -0.13 -4.02 0.14 0.00 0.00 0.00 0.00 53.44 49.44 1j3b n ALA 157 Cb 0.45 -0.86 0.58 0.00 0.00 0.00 0.00 19.45 19.61 1j3b n ALA 157 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j3b h PRO 158 N 4.47 0.22 0.00 0.00 0.13 -1.79 -1.63 132.00 133.39 1j3b h PRO 158 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1j3b h PRO 158 Cb 0.79 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1j3b h PRO 158 CO 0.62 0.14 -0.05 0.66 -0.23 0.00 0.00 178.00 179.15 1j3b n TYR 159 N -4.45 0.90 -2.42 1.56 4.02 -1.26 -2.77 117.16 112.73 1j3b n TYR 159 Ca 0.08 0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.81 1j3b n TYR 159 Cb 0.41 -0.92 -0.03 0.00 -0.02 0.00 0.00 39.34 38.79 1j3b n TYR 159 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1j3b s PHE 160 N -3.10 3.09 -0.26 -0.72 2.19 -0.62 -4.85 117.98 113.71 1j3b s PHE 160 Ca 0.10 1.13 -0.13 0.00 0.33 0.00 0.00 56.93 58.36 1j3b s PHE 160 Cb 0.12 -3.47 -0.04 0.00 -1.31 0.00 0.00 43.02 38.33 1j3b s PHE 160 CO 0.61 -1.52 0.29 -0.65 1.83 0.00 0.00 175.22 175.77 1j3b s GLN 161 N 2.43 4.02 0.36 10.12 -1.52 -1.26 -0.35 119.66 133.46 1j3b s GLN 161 Ca 0.57 -0.10 -0.25 0.00 -1.95 0.00 0.00 55.36 53.63 1j3b s GLN 161 Cb -0.25 -3.63 -0.10 0.00 -0.22 0.00 0.00 33.01 28.81 1j3b s GLN 161 CO 0.21 -0.18 1.00 0.00 -0.25 0.00 0.00 175.29 176.07 1j3b s ALA 162 N 1.78 3.15 -0.32 6.09 0.00 -0.53 -5.01 121.76 126.92 1j3b s ALA 162 Ca 0.12 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1j3b s ALA 162 Cb -0.15 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.80 1j3b s ALA 162 CO 0.09 -0.01 0.04 0.08 0.00 0.00 0.00 175.76 175.96 1j3b s VAL 163 N -1.65 2.95 0.19 0.00 1.01 -1.26 -3.84 120.40 117.79 1j3b s VAL 163 Ca 0.54 -1.60 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1j3b s VAL 163 Cb -0.20 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.45 1j3b s VAL 163 CO 0.25 -0.25 1.55 -0.65 0.00 0.00 0.00 175.10 176.00 1j3b h PRO 164 N 7.97 -0.03 -0.83 2.72 0.11 -1.78 0.80 132.00 140.95 1j3b h PRO 164 Ca -0.18 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.03 1j3b h PRO 164 Cb 1.05 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 1j3b h PRO 164 CO 0.56 -0.02 0.54 1.49 -0.21 0.00 0.00 178.00 180.36 1j3b h GLU 165 N -0.03 0.78 0.08 1.05 4.81 -1.96 0.27 114.58 119.59 1j3b h GLU 165 Ca 0.24 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 59.07 1j3b h GLU 165 Cb 0.51 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1j3b h GLU 165 CO -0.93 0.51 -1.96 -2.13 -0.73 0.00 0.00 179.01 173.78 1j3b n ARG 166 N -4.51 0.72 0.03 1.92 0.63 -0.22 -4.50 116.66 110.72 1j3b n ARG 166 Ca 0.14 0.26 0.11 0.00 -0.92 0.00 0.00 57.85 57.44 1j3b n ARG 166 Cb 0.31 -1.72 -0.06 0.00 0.45 0.00 0.00 32.46 31.45 1j3b n ARG 166 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1j3b n ASP 167 N -3.34 0.49 0.00 6.15 10.43 0.26 -4.97 116.55 125.57 1j3b n ASP 167 Ca -0.29 -0.10 0.00 0.00 2.57 0.00 0.00 54.79 56.97 1j3b n ASP 167 Cb 1.05 1.15 0.00 0.00 1.84 0.00 0.00 41.12 45.16 1j3b n ASP 167 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j3b n GLY 168 N 1.31 0.45 3.96 0.44 0.00 0.96 -4.87 105.19 107.43 1j3b n GLY 168 Ca -0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 1j3b n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3b s THR 169 N -2.00 2.16 -0.01 2.61 -4.23 -1.23 -5.02 115.64 107.92 1j3b s THR 169 Ca 0.00 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1j3b s THR 169 Cb 0.00 -2.82 -0.28 0.00 1.34 0.00 0.00 72.50 70.74 1j3b s THR 169 CO 0.00 0.00 0.81 -0.09 -0.54 0.00 0.00 174.62 174.80 1j3b h ARG 170 N -0.85 0.27 0.00 3.99 2.43 -1.90 -3.40 114.38 114.91 1j3b h ARG 170 Ca -0.41 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 1j3b h ARG 170 Cb 1.27 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1j3b h ARG 170 CO 0.46 1.13 0.00 -1.13 -1.51 0.00 0.00 179.97 178.92 1j3b n SER 171 N -3.47 0.00 0.24 -3.80 3.41 -1.26 -4.86 113.62 103.89 1j3b n SER 171 Ca -0.18 -0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.38 1j3b n SER 171 Cb 1.05 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.53 1j3b n SER 171 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1j3b h GLU 172 N 0.00 0.00 -6.09 4.33 4.11 -1.96 -3.39 114.58 111.58 1j3b h GLU 172 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.84 1j3b h GLU 172 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1j3b h GLU 172 CO 0.00 0.12 -0.24 0.08 0.07 0.00 0.00 179.01 179.03 1j3b s VAL 173 N -3.62 5.09 -0.21 -1.06 1.01 -1.26 -1.45 120.40 118.90 1j3b s VAL 173 Ca 0.01 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1j3b s VAL 173 Cb 0.09 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1j3b s VAL 173 CO 0.60 0.32 0.49 0.12 0.00 0.00 0.00 175.10 176.63 1j3b s PHE 174 N -1.36 -0.83 -0.31 5.22 2.19 -0.64 -4.71 117.98 117.54 1j3b s PHE 174 Ca 0.32 1.63 0.01 0.00 0.33 0.00 0.00 56.93 59.22 1j3b s PHE 174 Cb -0.14 0.40 0.09 0.00 -1.31 0.00 0.00 43.02 42.06 1j3b s PHE 174 CO 0.17 -0.46 0.05 0.08 1.83 0.00 0.00 175.22 176.90 1j3b s VAL 175 N 2.01 1.53 -0.03 3.12 1.01 -0.45 -1.28 120.40 126.32 1j3b s VAL 175 Ca -0.07 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.25 1j3b s VAL 175 Cb -0.09 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1j3b s VAL 175 CO -0.15 -0.54 -0.23 -0.83 0.00 0.00 0.00 175.10 173.35 1j3b s GLY 176 N 1.30 1.33 -0.17 4.51 0.00 0.25 -0.20 107.32 114.35 1j3b s GLY 176 Ca 0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1j3b s GLY 176 CO -0.15 -0.87 -0.13 -0.42 0.00 0.00 0.00 173.10 171.53 1j3b s ILE 177 N -0.59 2.84 -0.36 0.90 1.01 -0.25 -0.02 121.20 124.73 1j3b s ILE 177 Ca 0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1j3b s ILE 177 Cb -0.10 -2.22 0.08 0.00 0.01 0.00 0.00 42.46 40.22 1j3b s ILE 177 CO -0.00 0.50 0.11 -0.55 0.00 0.00 0.00 174.94 175.00 1j3b s SER 178 N 0.91 5.13 0.30 3.58 0.15 0.44 -0.91 113.70 123.30 1j3b s SER 178 Ca -0.03 -1.63 0.10 0.00 0.70 0.00 0.00 55.95 55.10 1j3b s SER 178 Cb -0.15 -1.79 0.45 0.00 -1.71 0.00 0.00 66.02 62.82 1j3b s SER 178 CO -0.01 -0.41 1.67 -0.26 1.20 0.00 0.00 173.24 175.43 1j3b h PHE 179 N 8.05 0.05 -0.15 3.44 -1.00 -1.88 0.11 116.94 125.57 1j3b h PHE 179 Ca -0.17 -0.02 -0.23 0.00 2.81 0.00 0.00 57.97 60.36 1j3b h PHE 179 Cb 1.06 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.62 1j3b h PHE 179 CO 0.58 0.57 -0.80 0.37 -1.61 0.00 0.00 178.31 177.42 1j3b h GLN 180 N 0.03 0.79 -0.01 1.51 5.75 -1.95 -3.14 115.11 118.10 1j3b h GLN 180 Ca -0.00 -0.66 0.00 0.00 -0.15 0.00 0.00 58.65 57.84 1j3b h GLN 180 Cb 0.96 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1j3b h GLN 180 CO 0.07 1.26 -0.28 0.54 -2.65 0.00 0.00 178.83 177.77 1j3b n ARG 181 N -3.93 0.64 -3.54 1.69 1.74 -1.21 -4.96 116.66 107.09 1j3b n ARG 181 Ca -0.08 -0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 56.45 1j3b n ARG 181 Cb 0.76 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.76 1j3b n ARG 181 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3b n ARG 182 N -0.87 -4.36 -4.21 5.56 1.74 0.27 -4.91 116.66 109.88 1j3b n ARG 182 Ca 0.11 0.71 -0.18 0.00 -0.77 0.00 0.00 57.85 57.72 1j3b n ARG 182 Cb 0.34 -5.35 -0.12 0.00 -1.02 0.00 0.00 32.46 26.30 1j3b n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1j3b s LEU 183 N -6.31 2.23 -0.12 0.55 1.43 -0.48 -1.47 118.68 114.51 1j3b s LEU 183 Ca 0.15 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1j3b s LEU 183 Cb -0.03 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.73 1j3b s LEU 183 CO 0.78 -0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 176.47 1j3b s VAL 184 N -1.11 1.50 -0.17 -1.59 1.01 -0.10 -0.42 120.40 119.52 1j3b s VAL 184 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1j3b s VAL 184 Cb -0.09 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1j3b s VAL 184 CO 0.02 0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 175.22 1j3b s LEU 185 N 1.16 2.64 -0.09 3.92 2.96 0.97 -0.21 118.68 130.03 1j3b s LEU 185 Ca -0.03 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1j3b s LEU 185 Cb -0.14 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1j3b s LEU 185 CO -0.04 0.08 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.35 1j3b s ILE 186 N 0.87 0.98 0.06 6.68 1.01 -0.48 -0.58 121.20 129.74 1j3b s ILE 186 Ca -0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1j3b s ILE 186 Cb -0.15 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1j3b s ILE 186 CO -0.00 0.34 0.10 0.68 0.00 0.00 0.00 174.94 176.06 1j3b s VAL 187 N 1.27 0.16 0.00 2.92 -7.23 -0.40 -0.47 120.40 116.64 1j3b s VAL 187 Ca -0.04 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1j3b s VAL 187 Cb -0.14 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1j3b s VAL 187 CO -0.03 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 1j3b n GLY 188 N 0.24 2.94 3.25 2.32 0.00 0.53 -1.61 105.19 112.85 1j3b n GLY 188 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1j3b n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j3b s THR 189 N -0.89 1.90 -1.75 2.61 -1.32 -1.24 -4.73 115.64 110.22 1j3b s THR 189 Ca 0.00 -1.00 0.24 0.00 -1.21 0.00 0.00 61.69 59.72 1j3b s THR 189 Cb 0.00 -1.60 0.06 0.00 -1.51 0.00 0.00 72.50 69.44 1j3b s THR 189 CO 0.00 0.53 1.25 0.29 -2.21 0.00 0.00 174.62 174.48 1j3b n LYS 190 N 2.83 0.86 -1.70 7.08 5.02 -1.26 -4.52 118.16 126.47 1j3b n LYS 190 Ca -0.17 -0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 55.06 1j3b n LYS 190 Cb 0.52 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1j3b n LYS 190 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1j3b s TYR 191 N -2.59 1.46 0.38 2.13 5.04 -1.25 -4.87 117.35 117.65 1j3b s TYR 191 Ca 0.19 -0.36 0.06 0.00 -2.44 0.00 0.00 57.07 54.52 1j3b s TYR 191 Cb 0.18 -4.22 0.74 0.00 0.35 0.00 0.00 41.96 39.01 1j3b s TYR 191 CO 0.60 -5.37 1.97 0.00 -1.34 0.00 0.00 175.55 171.42 1j3b h ALA 192 N 10.21 1.55 -0.60 3.97 0.00 -1.91 -2.80 119.26 129.68 1j3b h ALA 192 Ca -0.48 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.49 1j3b h ALA 192 Cb 1.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1j3b h ALA 192 CO 0.94 0.35 0.49 0.78 0.00 0.00 0.00 179.25 181.81 1j3b h GLY 193 N 0.69 0.00 1.43 0.00 0.00 -1.96 -1.15 103.07 102.09 1j3b h GLY 193 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1j3b h GLY 193 CO -0.01 0.00 0.14 0.83 0.00 0.00 0.00 176.54 177.49 1j3b h GLU 194 N 0.00 0.73 -0.00 4.80 4.39 -1.87 0.66 114.58 123.29 1j3b h GLU 194 Ca 0.28 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1j3b h GLU 194 Cb 1.26 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1j3b h GLU 194 CO -0.00 0.65 -0.00 0.82 -1.16 0.00 0.00 179.01 179.31 1j3b h ILE 195 N 0.71 1.37 -0.14 3.13 2.04 -1.41 -1.97 117.51 121.25 1j3b h ILE 195 Ca 0.16 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1j3b h ILE 195 Cb 0.24 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1j3b h ILE 195 CO -0.01 0.28 -0.05 0.50 0.00 0.00 0.00 178.15 178.88 1j3b h LYS 196 N -0.46 -0.02 -0.00 2.37 3.64 -1.42 -2.74 116.57 117.93 1j3b h LYS 196 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1j3b h LYS 196 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1j3b h LYS 196 CO 0.00 -0.01 -0.69 0.87 -2.27 0.00 0.00 179.45 177.34 1j3b h LYS 197 N -0.02 0.02 -0.37 1.90 1.79 -0.94 -1.96 116.57 116.99 1j3b h LYS 197 Ca 0.07 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 1j3b h LYS 197 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1j3b h LYS 197 CO -0.15 0.71 -0.24 0.66 -1.08 0.00 0.00 179.45 179.34 1j3b h SER 198 N 0.01 0.76 0.03 0.86 4.64 -1.30 -0.29 113.55 118.25 1j3b h SER 198 Ca -0.01 -0.28 -0.14 0.00 -0.47 0.00 0.00 61.79 60.89 1j3b h SER 198 Cb 1.23 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1j3b h SER 198 CO 0.09 0.97 -0.47 0.40 -0.87 0.00 0.00 176.83 176.95 1j3b h ILE 199 N 0.65 1.31 -0.51 0.95 1.08 -1.39 -1.78 117.51 117.82 1j3b h ILE 199 Ca 0.09 -1.68 -0.02 0.00 -0.39 0.00 0.00 64.86 62.86 1j3b h ILE 199 Cb 0.74 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1j3b h ILE 199 CO 0.06 0.52 0.25 0.15 -0.69 0.00 0.00 178.15 178.44 1j3b h PHE 200 N 0.41 0.72 -0.83 1.37 3.57 -0.93 -0.72 116.94 120.54 1j3b h PHE 200 Ca 0.02 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1j3b h PHE 200 Cb 0.98 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 1j3b h PHE 200 CO 0.04 0.56 0.55 1.15 -2.23 0.00 0.00 178.31 178.37 1j3b h THR 201 N 0.67 1.18 -0.67 4.41 2.02 -0.82 0.24 112.91 119.94 1j3b h THR 201 Ca 0.17 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1j3b h THR 201 Cb 0.10 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1j3b h THR 201 CO -0.02 0.20 0.22 0.58 0.37 0.00 0.00 175.52 176.86 1j3b h VAL 202 N 1.09 1.25 -0.30 3.16 2.07 -0.82 -2.26 116.25 120.44 1j3b h VAL 202 Ca 0.32 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1j3b h VAL 202 Cb -0.07 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1j3b h VAL 202 CO -0.09 0.33 -0.06 0.24 0.02 0.00 0.00 177.57 178.02 1j3b h MET 203 N 0.97 0.48 0.00 1.57 2.07 -0.34 -0.39 114.93 119.30 1j3b h MET 203 Ca 0.22 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1j3b h MET 203 Cb 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1j3b h MET 203 CO -0.01 0.56 0.00 -0.91 1.07 0.00 0.00 176.91 177.62 1j3b h ASN 204 N 0.46 0.00 0.05 1.22 2.35 -0.40 0.13 115.58 119.38 1j3b h ASN 204 Ca 0.09 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.51 1j3b h ASN 204 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1j3b h ASN 204 CO 0.02 0.00 -1.84 0.00 -1.65 0.00 0.00 177.43 173.95 1j3b n TYR 205 N -2.95 0.90 0.12 1.19 9.36 -0.73 -4.51 117.16 120.54 1j3b n TYR 205 Ca 0.00 0.27 -0.23 0.00 3.32 0.00 0.00 57.90 61.27 1j3b n TYR 205 Cb 0.25 -1.11 -0.14 0.00 -0.63 0.00 0.00 39.34 37.72 1j3b n TYR 205 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1j3b h LEU 206 N -0.44 0.82 -0.71 2.98 3.38 -0.97 -3.38 115.31 116.99 1j3b h LEU 206 Ca -0.45 -0.82 0.05 0.00 0.09 0.00 0.00 57.88 56.75 1j3b h LEU 206 Cb 1.71 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 42.15 1j3b h LEU 206 CO -0.10 1.63 0.42 0.24 0.09 0.00 0.00 178.44 180.73 1j3b h MET 207 N 0.20 0.78 -0.67 1.13 2.86 -0.98 -2.20 114.93 116.04 1j3b h MET 207 Ca -0.21 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1j3b h MET 207 Cb 2.03 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 33.47 1j3b h MET 207 CO 0.25 0.51 0.45 -1.35 1.06 0.00 0.00 176.91 177.83 1j3b h PRO 208 N 0.80 0.56 0.00 -0.22 0.11 -1.65 0.98 132.00 132.57 1j3b h PRO 208 Ca 0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1j3b h PRO 208 Cb 0.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1j3b h PRO 208 CO -0.15 0.37 0.00 1.63 -0.21 0.00 0.00 178.00 179.63 1j3b n LYS 209 N -4.48 0.18 -0.22 1.05 5.02 -0.83 -1.35 118.16 117.53 1j3b n LYS 209 Ca 0.11 0.15 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1j3b n LYS 209 Cb 0.32 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1j3b n LYS 209 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j3b n ARG 210 N -1.33 2.82 -1.01 1.97 1.74 0.18 -4.94 116.66 116.09 1j3b n ARG 210 Ca 0.07 -2.23 -0.00 0.00 -0.77 0.00 0.00 57.85 54.92 1j3b n ARG 210 Cb 0.14 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1j3b n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3b n GLY 211 N -0.01 0.47 3.61 -0.13 0.00 -0.45 -5.02 105.19 103.66 1j3b n GLY 211 Ca 0.13 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1j3b n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 212 N -1.96 4.83 -0.43 1.61 1.01 -0.29 -4.58 120.40 120.59 1j3b s VAL 212 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1j3b s VAL 212 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1j3b s VAL 212 CO 0.00 0.41 0.82 0.12 0.00 0.00 0.00 175.10 176.46 1j3b s PHE 213 N 0.74 3.00 0.25 5.22 5.36 -0.68 -2.48 117.98 129.38 1j3b s PHE 213 Ca 0.04 0.31 -0.30 0.00 -0.96 0.00 0.00 56.93 56.03 1j3b s PHE 213 Cb -0.13 -3.68 -0.09 0.00 -0.34 0.00 0.00 43.02 38.77 1j3b s PHE 213 CO 0.02 -0.96 1.00 -1.25 -1.46 0.00 0.00 175.22 172.57 1j3b s PRO 214 N 3.37 4.77 -0.03 10.12 0.04 -1.26 -0.47 135.00 151.53 1j3b s PRO 214 Ca 0.32 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1j3b s PRO 214 Cb -0.12 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1j3b s PRO 214 CO 0.22 0.38 -0.06 -1.64 0.04 0.00 0.00 177.00 175.95 1j3b s MET 215 N -1.20 0.85 -0.92 4.56 -1.94 0.19 -4.96 119.30 115.89 1j3b s MET 215 Ca 0.43 -0.19 -0.19 0.00 -1.71 0.00 0.00 55.69 54.03 1j3b s MET 215 Cb -0.28 -0.82 0.13 0.00 2.01 0.00 0.00 34.83 35.87 1j3b s MET 215 CO 0.35 0.01 1.12 -1.58 -0.01 0.00 0.00 175.02 174.90 1j3b s HIS 216 N 0.55 3.12 0.09 -0.03 2.46 -1.26 -1.29 115.29 118.93 1j3b s HIS 216 Ca -0.08 -1.39 -0.26 0.00 0.47 0.00 0.00 55.06 53.81 1j3b s HIS 216 Cb -0.11 -4.27 0.08 0.00 -0.13 0.00 0.00 32.58 28.15 1j3b s HIS 216 CO 0.00 -1.48 0.76 0.00 -2.47 0.00 0.00 174.74 171.56 1j3b s ALA 217 N 2.66 -1.68 0.44 1.58 0.00 0.42 -4.60 121.76 120.58 1j3b s ALA 217 Ca 0.32 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.98 1j3b s ALA 217 Cb -0.05 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1j3b s ALA 217 CO -0.09 -0.77 0.63 -1.54 0.00 0.00 0.00 175.76 173.99 1j3b s SER 218 N -2.65 5.67 -0.21 0.00 1.04 -0.52 -3.10 113.70 113.93 1j3b s SER 218 Ca 0.04 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.15 1j3b s SER 218 Cb -0.01 -1.09 0.07 0.00 0.10 0.00 0.00 66.02 65.09 1j3b s SER 218 CO -0.09 -0.77 0.70 0.00 0.98 0.00 0.00 173.24 174.06 1j3b s ALA 219 N -2.48 -1.77 0.29 5.32 0.00 -0.56 -0.84 121.76 121.73 1j3b s ALA 219 Ca 0.51 1.83 0.04 0.00 0.00 0.00 0.00 51.96 54.35 1j3b s ALA 219 Cb -0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1j3b s ALA 219 CO 0.35 -0.35 0.22 0.54 0.00 0.00 0.00 175.76 176.53 1j3b s ASN 220 N -0.04 1.24 -0.00 0.00 2.20 -0.58 -0.33 114.94 117.43 1j3b s ASN 220 Ca -0.03 -1.63 0.01 0.00 -0.94 0.00 0.00 52.86 50.27 1j3b s ASN 220 Cb -0.04 0.49 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 1j3b s ASN 220 CO 0.03 -0.98 -0.02 0.54 -2.94 0.00 0.00 177.10 173.73 1j3b s VAL 221 N -3.66 0.21 0.82 3.54 0.11 -0.34 -0.90 120.40 120.16 1j3b s VAL 221 Ca 0.39 -0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 1j3b s VAL 221 Cb 0.04 -0.19 0.11 0.00 -1.53 0.00 0.00 36.38 34.81 1j3b s VAL 221 CO 0.22 0.07 1.16 -0.83 -3.33 0.00 0.00 175.10 172.39 1j3b s GLY 222 N 0.02 1.68 0.36 6.54 0.00 -0.37 -2.30 107.32 113.25 1j3b s GLY 222 Ca 0.00 -0.96 0.11 0.00 0.00 0.00 0.00 44.72 43.87 1j3b s GLY 222 CO -0.00 -0.41 1.84 1.70 0.00 0.00 0.00 173.10 176.23 1j3b h LYS 223 N -1.06 0.60 0.00 2.90 3.64 -1.91 0.24 116.57 120.98 1j3b h LYS 223 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1j3b h LYS 223 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1j3b h LYS 223 CO 0.55 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 178.51 1j3b n GLU 224 N -4.59 0.98 -0.96 1.90 -0.58 -1.26 -4.86 120.64 111.27 1j3b n GLU 224 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1j3b n GLU 224 Cb 0.57 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1j3b n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3b n GLY 225 N 0.75 0.51 3.64 0.62 0.00 0.85 -5.00 105.19 106.56 1j3b n GLY 225 Ca 0.13 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1j3b n GLY 225 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j3b s ASP 226 N -2.09 6.95 0.28 1.61 -4.77 -1.25 -4.64 116.67 112.75 1j3b s ASP 226 Ca 0.00 1.11 -0.22 0.00 -3.30 0.00 0.00 52.55 50.14 1j3b s ASP 226 Cb 0.00 -2.52 -0.09 0.00 -1.09 0.00 0.00 42.92 39.21 1j3b s ASP 226 CO 0.00 -0.78 0.83 -0.69 0.70 0.00 0.00 175.17 175.23 1j3b s VAL 227 N 3.42 4.41 0.00 2.11 1.01 -1.26 -1.24 120.40 128.86 1j3b s VAL 227 Ca 0.43 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.96 1j3b s VAL 227 Cb -0.13 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1j3b s VAL 227 CO 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 175.10 175.25 1j3b s ALA 228 N -1.61 0.94 -0.02 5.51 0.00 -0.08 -0.26 121.76 126.24 1j3b s ALA 228 Ca 0.47 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.96 1j3b s ALA 228 Cb -0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1j3b s ALA 228 CO 0.22 0.21 -0.22 0.08 0.00 0.00 0.00 175.76 176.05 1j3b s VAL 229 N -0.39 1.71 -0.15 0.00 1.01 -0.81 -1.53 120.40 120.26 1j3b s VAL 229 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1j3b s VAL 229 Cb -0.05 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1j3b s VAL 229 CO -0.00 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 1j3b s PHE 230 N -0.48 2.21 -0.01 5.22 0.40 -0.02 -0.93 117.98 124.35 1j3b s PHE 230 Ca 0.08 -1.22 0.01 0.00 -0.60 0.00 0.00 56.93 55.19 1j3b s PHE 230 Cb -0.09 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1j3b s PHE 230 CO -0.01 -0.66 0.01 -0.06 0.70 0.00 0.00 175.22 175.20 1j3b s PHE 231 N 1.41 3.11 0.00 0.36 0.40 0.47 -1.44 117.98 122.29 1j3b s PHE 231 Ca 0.04 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1j3b s PHE 231 Cb -0.13 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.70 1j3b s PHE 231 CO -0.10 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.71 1j3b n GLY 232 N 1.48 2.07 3.68 4.36 0.00 -1.26 0.36 105.19 115.88 1j3b n GLY 232 Ca -0.15 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1j3b n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3b s LEU 233 N 0.00 2.27 0.35 0.99 1.43 -1.26 -4.84 118.68 117.62 1j3b s LEU 233 Ca 0.00 1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 54.51 1j3b s LEU 233 Cb 0.00 -4.05 -0.13 0.00 0.03 0.00 0.00 46.19 42.04 1j3b s LEU 233 CO 0.00 -2.88 1.01 -1.54 0.23 0.00 0.00 176.35 173.16 1j3b n SER 234 N -4.06 1.29 0.00 2.29 3.41 -1.26 -2.16 113.62 113.13 1j3b n SER 234 Ca 0.08 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1j3b n SER 234 Cb 0.54 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1j3b n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3b n GLY 235 N 1.20 0.82 0.17 5.00 0.00 -1.26 -4.90 105.19 106.22 1j3b n GLY 235 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1j3b n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3b n THR 236 N -2.19 0.00 -0.83 2.61 -2.24 -0.92 -4.83 114.28 105.89 1j3b n THR 236 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1j3b n THR 236 Cb 0.00 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1j3b n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3b n GLY 237 N 1.43 1.00 0.06 3.38 0.00 -1.26 -4.71 105.19 105.10 1j3b n GLY 237 Ca 0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1j3b n GLY 237 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3b h LYS 238 N 0.00 0.08 0.25 1.61 3.64 -1.88 -1.73 116.57 118.54 1j3b h LYS 238 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1j3b h LYS 238 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1j3b h LYS 238 CO 0.00 0.15 -0.12 1.15 -2.27 0.00 0.00 179.45 178.36 1j3b h THR 239 N -0.00 0.79 -0.62 1.00 2.02 -1.95 -2.51 112.91 111.64 1j3b h THR 239 Ca 0.02 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1j3b h THR 239 Cb 0.09 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1j3b h THR 239 CO -0.00 0.05 0.29 0.00 0.37 0.00 0.00 175.52 176.22 1j3b h THR 240 N -0.44 1.22 0.00 3.16 1.03 -1.94 -2.87 112.91 113.07 1j3b h THR 240 Ca -0.03 -0.63 -0.01 0.00 -0.01 0.00 0.00 66.41 65.73 1j3b h THR 240 Cb 0.33 0.49 -0.00 0.00 -1.07 0.00 0.00 68.15 67.90 1j3b h THR 240 CO 0.06 0.25 -0.06 -0.07 -0.01 0.00 0.00 175.52 175.69 1j3b h LEU 241 N 0.85 0.00 -0.74 0.00 3.38 -1.33 -2.01 115.31 115.45 1j3b h LEU 241 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1j3b h LEU 241 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1j3b h LEU 241 CO -0.03 0.06 -0.08 -1.54 0.09 0.00 0.00 178.44 176.95 1j3b n SER 242 N -3.19 1.24 -4.46 -0.43 3.41 -0.95 -4.72 113.62 104.53 1j3b n SER 242 Ca 0.01 -1.25 -0.43 0.00 -0.26 0.00 0.00 58.87 56.93 1j3b n SER 242 Cb 0.35 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 1j3b n SER 242 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j3b s THR 243 N -2.17 5.05 -0.03 6.66 2.01 -0.76 -4.79 115.64 121.61 1j3b s THR 243 Ca 0.34 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1j3b s THR 243 Cb 0.20 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1j3b s THR 243 CO 0.40 -0.56 0.05 -0.62 -0.69 0.00 0.00 174.62 173.20 1j3b s ASP 244 N 2.21 0.50 0.65 3.53 -1.08 -1.26 -4.99 116.67 116.22 1j3b s ASP 244 Ca 0.12 0.08 0.43 0.00 -0.52 0.00 0.00 52.55 52.66 1j3b s ASP 244 Cb -0.19 -0.07 2.26 0.00 -1.46 0.00 0.00 42.92 43.46 1j3b s ASP 244 CO 0.12 -0.18 2.31 1.55 0.52 0.00 0.00 175.17 179.49 1j3b h PRO 245 N 7.78 0.00 -0.10 4.34 0.13 -1.98 -0.99 132.00 141.18 1j3b h PRO 245 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1j3b h PRO 245 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1j3b h PRO 245 CO 0.34 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.50 1j3b n GLU 246 N -3.11 2.12 -3.62 0.86 -0.58 -1.26 -4.72 120.64 110.34 1j3b n GLU 246 Ca -0.02 -1.65 -0.29 0.00 -0.42 0.00 0.00 57.16 54.77 1j3b n GLU 246 Cb 0.11 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.38 1j3b n GLU 246 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1j3b s ARG 247 N -1.90 0.89 0.17 3.49 0.52 -0.38 -3.79 118.95 117.96 1j3b s ARG 247 Ca 0.33 -1.56 -0.33 0.00 -0.52 0.00 0.00 55.73 53.65 1j3b s ARG 247 Cb 0.20 -1.87 -0.16 0.00 0.52 0.00 0.00 34.95 33.65 1j3b s ARG 247 CO 0.31 -1.15 1.11 -2.30 0.02 0.00 0.00 175.30 173.30 1j3b n PRO 248 N 3.99 1.03 -2.73 3.54 -0.02 -0.97 -4.38 135.00 135.46 1j3b n PRO 248 Ca 0.07 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1j3b n PRO 248 Cb 0.37 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1j3b n PRO 248 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j3b s LEU 249 N 0.75 4.42 -0.12 2.45 2.96 -0.30 -1.20 118.68 127.63 1j3b s LEU 249 Ca 0.73 1.70 -0.14 0.00 -0.22 0.00 0.00 54.13 56.20 1j3b s LEU 249 Cb -0.88 -3.56 -0.26 0.00 0.50 0.00 0.00 46.19 41.99 1j3b s LEU 249 CO 0.53 -0.18 0.45 0.40 -1.32 0.00 0.00 176.35 176.22 1j3b h ILE 250 N 4.51 0.90 -1.89 6.68 2.04 -1.01 0.25 117.51 128.99 1j3b h ILE 250 Ca -0.42 -2.35 0.20 0.00 1.00 0.00 0.00 64.86 63.29 1j3b h ILE 250 Cb 1.22 2.57 -0.15 0.00 -0.74 0.00 0.00 36.82 39.72 1j3b h ILE 250 CO 0.74 0.69 0.65 -0.83 0.00 0.00 0.00 178.15 179.40 1j3b s GLY 251 N -5.12 -0.37 0.00 5.37 0.00 -1.07 -4.70 107.32 101.43 1j3b s GLY 251 Ca -0.22 1.08 0.16 0.00 0.00 0.00 0.00 44.72 45.73 1j3b s GLY 251 CO 0.74 0.34 0.72 2.09 0.00 0.00 0.00 173.10 176.98 1j3b n ASP 252 N -0.25 0.99 0.00 1.64 5.75 -1.26 -1.49 116.55 121.93 1j3b n ASP 252 Ca -0.05 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1j3b n ASP 252 Cb 0.60 0.85 0.00 0.00 -1.03 0.00 0.00 41.12 41.54 1j3b n ASP 252 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1j3b n ASP 253 N -1.01 0.00 -3.84 -1.12 2.03 -1.22 -4.05 116.55 107.33 1j3b n ASP 253 Ca 0.04 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.12 1j3b n ASP 253 Cb 0.27 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.50 1j3b n ASP 253 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j3b s GLU 254 N -1.00 0.95 0.14 -0.67 2.02 -1.18 -0.43 118.70 118.52 1j3b s GLU 254 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.95 1j3b s GLU 254 Cb 0.00 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1j3b s GLU 254 CO 0.00 -0.24 -0.02 -1.01 0.02 0.00 0.00 175.26 174.01 1j3b s HIS 255 N 1.63 1.04 0.06 1.61 3.76 -0.41 -0.95 115.29 122.03 1j3b s HIS 255 Ca 0.01 -1.00 0.09 0.00 -0.15 0.00 0.00 55.06 54.02 1j3b s HIS 255 Cb -0.13 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1j3b s HIS 255 CO -0.05 -0.22 -0.26 0.20 -0.85 0.00 0.00 174.74 173.57 1j3b s GLY 256 N -3.11 1.45 -0.34 -2.22 0.00 0.12 0.57 107.32 103.79 1j3b s GLY 256 Ca 0.19 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1j3b s GLY 256 CO -0.00 -1.20 0.05 0.86 0.00 0.00 0.00 173.10 172.82 1j3b s TRP 257 N -0.86 3.61 0.12 1.90 -0.11 0.38 -0.97 118.94 123.01 1j3b s TRP 257 Ca 0.12 -2.69 0.01 0.00 1.22 0.00 0.00 56.10 54.77 1j3b s TRP 257 Cb -0.10 -2.77 0.02 0.00 -1.50 0.00 0.00 33.47 29.12 1j3b s TRP 257 CO 0.03 -0.93 0.16 -1.13 -4.62 0.00 0.00 176.95 170.46 1j3b n SER 258 N 4.38 0.31 0.21 5.86 3.41 0.18 -1.69 113.62 126.28 1j3b n SER 258 Ca -0.01 -1.24 0.15 0.00 -0.26 0.00 0.00 58.87 57.50 1j3b n SER 258 Cb 0.42 -0.09 0.56 0.00 -0.26 0.00 0.00 64.21 64.84 1j3b n SER 258 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1j3b h GLU 259 N 0.00 0.00 0.00 4.33 4.11 -1.96 -3.08 114.58 117.98 1j3b h GLU 259 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.21 1j3b h GLU 259 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1j3b h GLU 259 CO 0.07 0.00 -1.98 -0.25 0.07 0.00 0.00 179.01 176.92 1j3b n ASP 260 N -2.70 0.21 0.00 3.06 8.00 -1.26 -5.06 116.55 118.80 1j3b n ASP 260 Ca 0.02 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1j3b n ASP 260 Cb 0.30 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 1j3b n ASP 260 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j3b n GLY 261 N 1.46 -0.34 3.48 0.44 0.00 -1.17 -4.31 105.19 104.75 1j3b n GLY 261 Ca -0.16 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1j3b n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3b s VAL 262 N -4.00 2.74 -0.04 1.61 -7.23 -0.75 0.47 120.40 113.20 1j3b s VAL 262 Ca 0.00 -1.63 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1j3b s VAL 262 Cb 0.00 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.68 1j3b s VAL 262 CO 0.00 0.04 0.15 0.72 -0.31 0.00 0.00 175.10 175.70 1j3b s PHE 263 N -1.27 -0.11 0.23 2.82 -0.12 -0.15 -1.08 117.98 118.31 1j3b s PHE 263 Ca 0.19 0.26 -0.30 0.00 -0.05 0.00 0.00 56.93 57.03 1j3b s PHE 263 Cb -0.10 0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.23 1j3b s PHE 263 CO 0.10 -0.14 1.17 1.21 -0.05 0.00 0.00 175.22 177.51 1j3b s ASN 264 N -0.34 7.12 0.34 1.98 3.84 0.06 -0.71 114.94 127.23 1j3b s ASN 264 Ca -0.04 2.29 0.18 0.00 0.21 0.00 0.00 52.86 55.49 1j3b s ASN 264 Cb -0.03 -2.62 0.17 0.00 -0.55 0.00 0.00 41.25 38.22 1j3b s ASN 264 CO 0.01 -0.31 1.50 -0.26 -2.79 0.00 0.00 177.10 175.25 1j3b h PHE 265 N 4.58 0.00 -1.20 0.43 0.04 -1.39 0.66 116.94 120.06 1j3b h PHE 265 Ca -0.46 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.73 1j3b h PHE 265 Cb 1.21 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.28 1j3b h PHE 265 CO 0.60 0.33 -0.46 -1.21 -0.60 0.00 0.00 178.31 176.98 1j3b s GLU 266 N -3.05 2.23 -0.07 1.51 2.02 -1.26 -0.34 118.70 119.73 1j3b s GLU 266 Ca 0.05 -1.96 0.11 0.00 0.02 0.00 0.00 54.97 53.19 1j3b s GLU 266 Cb 0.07 -1.94 0.16 0.00 0.10 0.00 0.00 34.13 32.52 1j3b s GLU 266 CO 0.72 -0.26 1.06 0.41 0.02 0.00 0.00 175.26 177.21 1j3b n GLY 267 N -1.35 3.28 1.40 -1.39 0.00 0.36 -4.82 105.19 102.67 1j3b n GLY 267 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 1j3b n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3b n GLY 268 N -0.92 1.85 3.23 -0.02 0.00 -0.98 -1.13 105.19 107.22 1j3b n GLY 268 Ca 0.09 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 1j3b n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b n TYR 270 N 0.49 0.15 -3.13 0.00 9.36 -1.25 -2.04 117.16 120.74 1j3b n TYR 270 Ca -0.15 -3.57 -0.35 0.00 3.32 0.00 0.00 57.90 57.14 1j3b n TYR 270 Cb 0.57 -0.04 -0.06 0.00 -0.63 0.00 0.00 39.34 39.18 1j3b n TYR 270 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j3b s ALA 271 N -0.56 3.41 0.09 2.98 0.00 -0.17 -4.80 121.76 122.71 1j3b s ALA 271 Ca 0.32 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1j3b s ALA 271 Cb 0.05 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1j3b s ALA 271 CO -0.17 0.34 0.99 0.15 0.00 0.00 0.00 175.76 177.07 1j3b s LYS 272 N -2.14 4.64 -0.00 0.00 1.02 -1.26 0.17 119.74 122.17 1j3b s LYS 272 Ca 0.44 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.92 1j3b s LYS 272 Cb -0.15 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1j3b s LYS 272 CO 0.20 0.11 0.85 1.33 -0.92 0.00 0.00 175.35 176.92 1j3b n VAL 273 N 3.07 0.70 -1.71 3.17 0.24 -0.52 -4.89 118.33 118.40 1j3b n VAL 273 Ca 0.04 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.34 61.20 1j3b n VAL 273 Cb 0.49 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 1j3b n VAL 273 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3b n ILE 274 N -0.35 0.15 -2.13 1.34 0.13 -1.26 -0.84 119.36 116.39 1j3b n ILE 274 Ca 0.00 -0.04 -0.18 0.00 -1.10 0.00 0.00 62.75 61.43 1j3b n ILE 274 Cb 0.33 -1.84 -0.03 0.00 -0.84 0.00 0.00 39.64 37.26 1j3b n ILE 274 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1j3b n ARG 275 N 3.55 -1.40 -2.13 9.51 1.74 0.10 -4.95 116.66 123.08 1j3b n ARG 275 Ca 0.15 0.95 -0.36 0.00 -0.77 0.00 0.00 57.85 57.82 1j3b n ARG 275 Cb 0.33 -5.39 0.01 0.00 -1.02 0.00 0.00 32.46 26.39 1j3b n ARG 275 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j3b s LEU 276 N -4.93 3.78 0.01 0.55 2.96 -0.02 -4.90 118.68 116.13 1j3b s LEU 276 Ca 0.00 2.33 -0.23 0.00 -0.22 0.00 0.00 54.13 56.01 1j3b s LEU 276 Cb 0.00 -4.49 0.05 0.00 0.50 0.00 0.00 46.19 42.25 1j3b s LEU 276 CO 0.00 -1.32 0.51 -0.94 -1.32 0.00 0.00 176.35 173.28 1j3b s SER 277 N -1.55 -0.43 0.32 3.68 1.04 -1.26 -4.82 113.70 110.68 1j3b s SER 277 Ca 0.72 0.28 0.01 0.00 0.48 0.00 0.00 55.95 57.44 1j3b s SER 277 Cb -0.29 0.46 0.54 0.00 0.10 0.00 0.00 66.02 66.83 1j3b s SER 277 CO 0.32 -0.63 1.96 -0.65 0.98 0.00 0.00 173.24 175.22 1j3b h PRO 278 N 3.07 0.88 -0.02 4.02 0.11 -1.94 -0.79 132.00 137.34 1j3b h PRO 278 Ca -0.30 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1j3b h PRO 278 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1j3b h PRO 278 CO 0.41 0.64 0.01 0.93 -0.21 0.00 0.00 178.00 179.77 1j3b h GLU 279 N 0.90 0.03 0.16 1.05 3.07 -1.97 -2.86 114.58 114.96 1j3b h GLU 279 Ca 0.23 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.36 58.73 1j3b h GLU 279 Cb -0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1j3b h GLU 279 CO -0.04 0.23 -1.86 0.45 -1.40 0.00 0.00 179.01 176.39 1j3b h HIS 280 N -0.18 0.62 -2.21 4.33 3.86 -1.97 -3.41 115.15 116.20 1j3b h HIS 280 Ca 0.01 -0.45 -0.58 0.00 -1.16 0.00 0.00 60.37 58.18 1j3b h HIS 280 Cb 0.21 -0.02 -0.42 0.00 1.06 0.00 0.00 27.41 28.24 1j3b h HIS 280 CO -0.00 1.73 -0.72 0.39 0.86 0.00 0.00 177.93 180.19 1j3b n GLU 281 N -3.55 2.61 -0.34 2.45 4.71 -0.31 -4.94 120.64 121.27 1j3b n GLU 281 Ca -0.28 -4.54 0.09 0.00 -0.01 0.00 0.00 57.16 52.43 1j3b n GLU 281 Cb 1.06 -2.12 0.26 0.00 -1.01 0.00 0.00 31.44 29.64 1j3b n GLU 281 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1j3b h PRO 282 N 3.41 0.80 -0.09 3.49 0.13 -1.63 0.42 132.00 138.54 1j3b h PRO 282 Ca 0.14 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 1j3b h PRO 282 Cb 0.63 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1j3b h PRO 282 CO 0.77 0.53 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.83 1j3b h LEU 283 N 0.83 0.30 -0.64 1.56 3.38 -1.92 -1.58 115.31 117.24 1j3b h LEU 283 Ca 0.52 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1j3b h LEU 283 Cb 0.67 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1j3b h LEU 283 CO -0.33 0.80 0.10 0.40 0.09 0.00 0.00 178.44 179.51 1j3b h ILE 284 N -0.18 1.26 -0.36 1.22 2.04 -1.92 -1.14 117.51 118.44 1j3b h ILE 284 Ca 0.00 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1j3b h ILE 284 Cb 0.75 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1j3b h ILE 284 CO 0.04 0.38 0.23 0.22 0.00 0.00 0.00 178.15 179.02 1j3b h TYR 285 N 0.97 0.44 -0.44 1.37 5.03 -0.91 0.12 116.97 123.55 1j3b h TYR 285 Ca 0.19 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 1j3b h TYR 285 Cb 0.44 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1j3b h TYR 285 CO 0.03 0.28 0.16 -0.22 -1.32 0.00 0.00 178.16 177.09 1j3b h LYS 286 N 0.48 0.67 0.00 1.82 3.64 -1.09 -2.02 116.57 120.06 1j3b h LYS 286 Ca 0.13 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1j3b h LYS 286 Cb -0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1j3b h LYS 286 CO -0.03 0.63 -0.27 0.00 -2.27 0.00 0.00 179.45 177.51 1j3b h ALA 287 N 1.01 1.55 0.00 5.00 0.00 -0.90 -2.84 119.26 123.08 1j3b h ALA 287 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j3b h ALA 287 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j3b h ALA 287 CO -0.01 0.34 -0.40 0.43 0.00 0.00 0.00 179.25 179.61 1j3b n SER 288 N -4.22 0.43 -2.99 0.00 7.64 0.39 -4.31 113.62 110.56 1j3b n SER 288 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 1j3b n SER 288 Cb 0.32 0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1j3b n SER 288 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1j3b n ASN 289 N -1.62 5.76 -3.76 6.43 3.02 -0.79 -4.69 115.26 119.61 1j3b n ASN 289 Ca 0.05 -3.72 -0.08 0.00 -0.03 0.00 0.00 54.58 50.80 1j3b n ASN 289 Cb 0.36 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 1j3b n ASN 289 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3b s GLN 290 N -3.80 1.65 0.46 3.52 -2.07 -1.25 -4.79 119.66 113.38 1j3b s GLN 290 Ca 0.47 -0.88 -0.25 0.00 -1.82 0.00 0.00 55.36 52.88 1j3b s GLN 290 Cb 0.31 0.60 -0.08 0.00 -1.09 0.00 0.00 33.01 32.75 1j3b s GLN 290 CO -0.20 -0.75 1.41 0.12 -1.32 0.00 0.00 175.29 174.56 1j3b s PHE 291 N -3.88 2.43 0.00 9.60 2.19 -1.23 -2.85 117.98 124.24 1j3b s PHE 291 Ca 0.09 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.63 1j3b s PHE 291 Cb -0.04 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 37.77 1j3b s PHE 291 CO 0.02 -2.92 0.00 0.39 1.83 0.00 0.00 175.22 174.54 1j3b n GLU 292 N -0.32 0.00 -2.34 10.12 1.02 -1.26 -4.95 120.64 122.91 1j3b n GLU 292 Ca 0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1j3b n GLU 292 Cb 0.42 -0.06 -0.03 0.00 -0.02 0.00 0.00 31.44 31.76 1j3b n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3b s ALA 293 N -2.54 3.28 -0.14 0.62 0.00 -1.13 -4.77 121.76 117.08 1j3b s ALA 293 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1j3b s ALA 293 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1j3b s ALA 293 CO 0.00 -0.41 -0.14 0.42 0.00 0.00 0.00 175.76 175.63 1j3b s ILE 294 N -1.31 2.83 -0.40 0.00 1.01 0.50 -0.39 121.20 123.44 1j3b s ILE 294 Ca 0.52 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 1j3b s ILE 294 Cb -0.32 -2.19 0.06 0.00 0.01 0.00 0.00 42.46 40.02 1j3b s ILE 294 CO 0.41 0.52 0.23 -0.76 0.00 0.00 0.00 174.94 175.33 1j3b s LEU 295 N 0.60 4.94 -0.29 2.97 1.43 0.14 -0.72 118.68 127.75 1j3b s LEU 295 Ca -0.08 -1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 51.45 1j3b s LEU 295 Cb -0.16 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1j3b s LEU 295 CO 0.03 -0.47 0.75 -0.70 0.23 0.00 0.00 176.35 176.18 1j3b s GLU 296 N 1.45 4.01 0.00 1.70 2.12 0.26 -1.02 118.70 127.22 1j3b s GLU 296 Ca 0.02 0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1j3b s GLU 296 Cb -0.22 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1j3b s GLU 296 CO 0.03 -0.60 0.00 0.09 -0.54 0.00 0.00 175.26 174.24 1j3b n ASN 297 N 6.05 -4.50 -4.81 -1.70 3.02 0.11 -2.34 115.26 111.08 1j3b n ASN 297 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 1j3b n ASN 297 Cb 0.48 -2.38 0.03 0.00 -0.61 0.00 0.00 39.78 37.30 1j3b n ASN 297 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1j3b s VAL 298 N -1.41 3.89 -0.08 2.41 -7.23 -1.26 -4.60 120.40 112.12 1j3b s VAL 298 Ca 0.00 0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 60.79 1j3b s VAL 298 Cb 0.00 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 1j3b s VAL 298 CO 0.00 -0.64 0.44 -0.69 -0.31 0.00 0.00 175.10 173.90 1j3b s VAL 299 N -2.68 5.14 -0.05 1.32 1.01 -1.26 -4.93 120.40 118.95 1j3b s VAL 299 Ca 0.61 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.51 1j3b s VAL 299 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1j3b s VAL 299 CO 0.44 0.42 -0.14 0.54 0.00 0.00 0.00 175.10 176.35 1j3b s VAL 300 N 0.04 1.21 -0.08 2.92 0.11 -1.26 0.13 120.40 123.46 1j3b s VAL 300 Ca 0.24 -0.57 -0.29 0.00 -2.93 0.00 0.00 61.98 58.43 1j3b s VAL 300 Cb -0.15 -1.06 -0.06 0.00 -1.53 0.00 0.00 36.38 33.58 1j3b s VAL 300 CO 0.11 0.36 1.76 0.21 -3.33 0.00 0.00 175.10 174.21 1j3b s ASN 301 N 0.27 6.46 0.57 3.54 3.84 -0.43 -4.87 114.94 124.33 1j3b s ASN 301 Ca -0.07 2.19 0.27 0.00 0.21 0.00 0.00 52.86 55.45 1j3b s ASN 301 Cb -0.12 -2.53 1.60 0.00 -0.55 0.00 0.00 41.25 39.64 1j3b s ASN 301 CO 0.02 -1.11 2.11 1.55 -2.79 0.00 0.00 177.10 176.89 1j3b h PRO 302 N 10.47 0.00 0.03 0.43 0.13 -1.96 0.50 132.00 141.59 1j3b h PRO 302 Ca -0.41 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.43 1j3b h PRO 302 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1j3b h PRO 302 CO 0.96 0.00 -1.59 0.39 -0.23 0.00 0.00 178.00 177.53 1j3b n GLU 303 N -3.97 0.61 0.07 0.86 -0.58 -1.26 -4.32 120.64 112.06 1j3b n GLU 303 Ca 0.02 0.47 0.12 0.00 -0.42 0.00 0.00 57.16 57.35 1j3b n GLU 303 Cb 0.31 -1.71 0.24 0.00 -0.57 0.00 0.00 31.44 29.71 1j3b n GLU 303 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1j3b n SER 304 N -4.19 0.73 -1.95 1.62 3.41 -1.22 -4.92 113.62 107.09 1j3b n SER 304 Ca -0.35 0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.33 1j3b n SER 304 Cb 0.79 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 1j3b n SER 304 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j3b n ARG 305 N -2.14 -1.62 -3.09 4.33 5.12 0.17 -4.69 116.66 114.74 1j3b n ARG 305 Ca 0.04 0.97 -0.39 0.00 -1.93 0.00 0.00 57.85 56.54 1j3b n ARG 305 Cb 0.43 -5.46 -0.05 0.00 -1.16 0.00 0.00 32.46 26.23 1j3b n ARG 305 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j3b s ARG 306 N -4.25 4.41 0.05 5.56 1.81 -1.24 -0.60 118.95 124.69 1j3b s ARG 306 Ca 0.00 0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 54.55 1j3b s ARG 306 Cb 0.00 -3.41 -0.06 0.00 -0.45 0.00 0.00 34.95 31.04 1j3b s ARG 306 CO 0.00 0.18 1.22 0.08 -0.68 0.00 0.00 175.30 176.10 1j3b s VAL 307 N 0.39 3.99 -1.06 3.52 1.01 -1.26 -1.32 120.40 125.68 1j3b s VAL 307 Ca 0.35 1.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.61 1j3b s VAL 307 Cb -0.18 -3.91 0.20 0.00 0.00 0.00 0.00 36.38 32.49 1j3b s VAL 307 CO 0.18 0.10 1.17 -1.10 0.00 0.00 0.00 175.10 175.45 1j3b s GLN 308 N 1.20 3.93 0.47 2.72 -1.52 0.12 -4.89 119.66 121.68 1j3b s GLN 308 Ca 0.59 -2.54 0.18 0.00 -1.95 0.00 0.00 55.36 51.65 1j3b s GLN 308 Cb -0.30 -4.79 1.18 0.00 -0.22 0.00 0.00 33.01 28.88 1j3b s GLN 308 CO 0.29 -1.55 1.99 -1.49 -0.25 0.00 0.00 175.29 174.27 1j3b h TRP 309 N 7.52 0.26 0.00 0.91 4.06 -1.88 -2.42 115.95 124.40 1j3b h TRP 309 Ca 0.21 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1j3b h TRP 309 Cb 0.94 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1j3b h TRP 309 CO 1.02 0.12 -0.20 -0.25 -3.56 0.00 0.00 178.44 175.56 1j3b n ASP 310 N -4.45 0.68 -4.61 -3.49 8.00 -1.26 0.00 116.55 111.43 1j3b n ASP 310 Ca 0.09 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 1j3b n ASP 310 Cb 0.45 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1j3b n ASP 310 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j3b s ASP 311 N -4.21 6.43 -0.29 -2.24 3.68 -0.91 -4.62 116.67 114.50 1j3b s ASP 311 Ca 0.10 0.91 0.11 0.00 2.13 0.00 0.00 52.55 55.80 1j3b s ASP 311 Cb 0.14 -2.54 0.76 0.00 -1.45 0.00 0.00 42.92 39.82 1j3b s ASP 311 CO 0.63 -1.34 1.77 -0.90 0.13 0.00 0.00 175.17 175.46 1j3b n ASP 312 N 8.49 5.03 -0.33 -0.34 5.68 -1.26 -4.41 116.55 129.41 1j3b n ASP 312 Ca 0.16 -3.15 0.17 0.00 -0.50 0.00 0.00 54.79 51.47 1j3b n ASP 312 Cb 0.48 -0.72 0.39 0.00 -1.14 0.00 0.00 41.12 40.13 1j3b n ASP 312 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1j3b h SER 313 N 2.99 0.65 0.27 -1.12 0.02 -1.92 -1.81 113.55 112.63 1j3b h SER 313 Ca 0.18 0.10 -0.34 0.00 -0.84 0.00 0.00 61.79 60.88 1j3b h SER 313 Cb 2.19 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.70 1j3b h SER 313 CO 0.64 0.19 -1.78 0.11 -1.14 0.00 0.00 176.83 174.85 1j3b h LYS 314 N 0.61 0.27 -1.21 3.45 1.57 -1.83 -3.49 116.57 115.95 1j3b h LYS 314 Ca 0.58 -0.46 0.32 0.00 -1.87 0.00 0.00 60.65 59.22 1j3b h LYS 314 Cb 1.12 0.17 -0.19 0.00 0.08 0.00 0.00 32.23 33.42 1j3b h LYS 314 CO -0.36 1.14 0.92 -0.08 -0.57 0.00 0.00 179.45 180.50 1j3b s THR 315 N -2.58 0.00 -0.72 -0.16 -1.32 -0.68 -4.97 115.64 105.21 1j3b s THR 315 Ca -0.15 -0.02 0.23 0.00 -1.21 0.00 0.00 61.69 60.54 1j3b s THR 315 Cb 0.06 -1.22 -0.07 0.00 -1.51 0.00 0.00 72.50 69.77 1j3b s THR 315 CO 0.82 0.00 1.15 1.21 -2.21 0.00 0.00 174.62 175.59 1j3b n GLU 316 N -0.14 0.22 -1.24 7.08 2.13 -1.26 -4.23 120.64 123.20 1j3b n GLU 316 Ca 0.01 0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.62 1j3b n GLU 316 Cb 0.58 -1.59 -0.04 0.00 0.27 0.00 0.00 31.44 30.67 1j3b n GLU 316 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j3b n ASN 317 N -1.87 6.35 -4.77 4.31 5.15 -1.26 -4.50 115.26 118.67 1j3b n ASN 317 Ca 0.03 -3.09 -0.40 0.00 -0.60 0.00 0.00 54.58 50.53 1j3b n ASN 317 Cb 0.41 -1.19 -0.03 0.00 -0.53 0.00 0.00 39.78 38.44 1j3b n ASN 317 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1j3b s THR 318 N -1.95 3.11 0.18 -0.44 -4.23 -1.26 -4.96 115.64 106.09 1j3b s THR 318 Ca 0.50 1.05 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 1j3b s THR 318 Cb 0.33 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 1j3b s THR 318 CO -0.13 0.19 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.91 1j3b s ARG 319 N -1.89 1.19 -0.10 3.99 1.81 -0.99 -1.43 118.95 121.53 1j3b s ARG 319 Ca 0.51 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.99 1j3b s ARG 319 Cb -0.34 -0.80 0.02 0.00 -0.45 0.00 0.00 34.95 33.38 1j3b s ARG 319 CO 0.44 0.09 -0.08 0.45 -0.68 0.00 0.00 175.30 175.52 1j3b s SER 320 N -3.24 1.99 -0.15 0.23 0.15 0.13 -0.58 113.70 112.22 1j3b s SER 320 Ca 0.20 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1j3b s SER 320 Cb 0.02 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1j3b s SER 320 CO 0.04 -0.08 -0.02 -0.55 1.20 0.00 0.00 173.24 173.83 1j3b s SER 321 N 1.42 4.95 -0.05 5.45 0.15 0.10 -1.00 113.70 124.73 1j3b s SER 321 Ca -0.01 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 1j3b s SER 321 Cb -0.13 -1.79 0.06 0.00 -1.71 0.00 0.00 66.02 62.45 1j3b s SER 321 CO -0.05 0.18 0.63 -0.72 1.20 0.00 0.00 173.24 174.49 1j3b s TYR 322 N 0.28 -0.60 0.59 3.44 -0.85 -0.87 -0.37 117.35 118.97 1j3b s TYR 322 Ca -0.02 1.03 -0.19 0.00 -0.52 0.00 0.00 57.07 57.37 1j3b s TYR 322 Cb -0.14 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1j3b s TYR 322 CO 0.02 -0.58 1.22 -1.25 -1.52 0.00 0.00 175.55 173.45 1j3b s PRO 323 N -1.18 2.99 0.39 -3.49 0.04 -1.26 -0.71 135.00 131.78 1j3b s PRO 323 Ca -0.11 1.86 0.28 0.00 0.04 0.00 0.00 61.00 63.06 1j3b s PRO 323 Cb -0.01 -1.96 1.39 0.00 0.04 0.00 0.00 34.50 33.97 1j3b s PRO 323 CO 0.09 -1.20 1.84 0.97 0.04 0.00 0.00 177.00 178.74 1j3b h ILE 324 N 0.93 0.00 0.00 0.56 2.10 -1.37 -0.91 117.51 118.83 1j3b h ILE 324 Ca -0.50 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.33 1j3b h ILE 324 Cb 1.30 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1j3b h ILE 324 CO 0.55 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.62 1j3b h ALA 325 N 2.06 1.00 0.00 0.18 0.00 -1.89 -1.00 119.26 119.61 1j3b h ALA 325 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3b h ALA 325 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j3b h ALA 325 CO 0.00 0.00 -0.03 0.45 0.00 0.00 0.00 179.25 179.67 1j3b h HIS 326 N 0.00 0.00 -3.20 0.00 3.86 -1.51 -3.41 115.15 110.89 1j3b h HIS 326 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1j3b h HIS 326 Cb 0.16 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 1j3b h HIS 326 CO 0.00 0.03 -0.16 -0.51 0.86 0.00 0.00 177.93 178.15 1j3b s LEU 327 N -6.27 4.38 -0.06 2.43 1.43 -0.38 -4.45 118.68 115.75 1j3b s LEU 327 Ca 0.02 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 1j3b s LEU 327 Cb 0.09 -2.66 -0.30 0.00 0.03 0.00 0.00 46.19 43.35 1j3b s LEU 327 CO 0.57 0.16 0.66 -0.08 0.23 0.00 0.00 176.35 177.89 1j3b h GLU 328 N 5.70 0.36 -3.67 1.70 4.81 -1.84 -3.40 114.58 118.26 1j3b h GLU 328 Ca -0.46 -0.62 -0.74 0.00 -0.13 0.00 0.00 59.36 57.41 1j3b h GLU 328 Cb 1.20 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 1j3b h GLU 328 CO 0.69 1.30 2.53 -1.71 -0.73 0.00 0.00 179.01 181.09 1j3b n ASN 329 N -3.70 4.74 -4.17 1.04 5.15 -1.26 -4.91 115.26 112.14 1j3b n ASN 329 Ca -0.24 -2.99 -0.12 0.00 -0.60 0.00 0.00 54.58 50.63 1j3b n ASN 329 Cb 1.03 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 38.62 1j3b n ASN 329 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1j3b s VAL 330 N 1.53 0.79 -0.55 3.44 -7.23 -1.26 -1.15 120.40 115.98 1j3b s VAL 330 Ca 0.44 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 1j3b s VAL 330 Cb 0.12 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1j3b s VAL 330 CO -0.04 -0.76 1.03 -0.69 -0.31 0.00 0.00 175.10 174.34 1j3b s VAL 331 N -3.17 4.27 0.22 1.32 1.01 0.89 -4.74 120.40 120.20 1j3b s VAL 331 Ca 0.09 0.60 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 1j3b s VAL 331 Cb 0.02 -4.59 0.24 0.00 0.00 0.00 0.00 36.38 32.05 1j3b s VAL 331 CO -0.03 -1.15 1.58 -0.08 0.00 0.00 0.00 175.10 175.42 1j3b h GLU 332 N 9.36 -0.06 0.00 2.72 4.57 -1.95 -1.49 114.58 127.73 1j3b h GLU 332 Ca -0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1j3b h GLU 332 Cb 1.07 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1j3b h GLU 332 CO 1.11 -0.04 -0.06 0.66 -1.18 0.00 0.00 179.01 179.51 1j3b h SER 333 N -0.06 0.00 -0.07 1.04 4.64 -1.99 -3.46 113.55 113.65 1j3b h SER 333 Ca 0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1j3b h SER 333 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1j3b h SER 333 CO -0.83 0.06 -0.03 0.61 -0.87 0.00 0.00 176.83 175.77 1j3b n GLY 334 N -0.10 0.48 3.12 -0.77 0.00 -0.56 -4.78 105.19 102.59 1j3b n GLY 334 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1j3b n GLY 334 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 335 N -1.85 1.14 0.19 1.61 1.01 -1.26 -0.76 120.40 120.47 1j3b s VAL 335 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1j3b s VAL 335 Cb 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1j3b s VAL 335 CO 0.00 0.25 0.29 0.00 0.00 0.00 0.00 175.10 175.64 1j3b n ALA 336 N 2.54 -0.32 -1.00 5.51 0.00 -0.24 -5.02 120.51 121.98 1j3b n ALA 336 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1j3b n ALA 336 Cb 0.55 0.65 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1j3b n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3b n GLY 337 N -0.30 -1.01 3.79 0.00 0.00 -1.26 -1.81 105.19 104.60 1j3b n GLY 337 Ca -0.01 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1j3b n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j3b s HIS 338 N -0.50 3.22 0.19 1.61 3.76 -1.26 -2.40 115.29 119.92 1j3b s HIS 338 Ca 0.00 1.63 -0.32 0.00 -0.15 0.00 0.00 55.06 56.22 1j3b s HIS 338 Cb 0.00 -3.10 -0.11 0.00 1.11 0.00 0.00 32.58 30.48 1j3b s HIS 338 CO 0.00 -0.63 1.63 -2.14 -0.85 0.00 0.00 174.74 172.76 1j3b s PRO 339 N -2.67 4.17 -0.03 8.40 0.02 -1.26 -4.01 135.00 139.62 1j3b s PRO 339 Ca 0.60 2.48 0.20 0.00 0.02 0.00 0.00 61.00 64.29 1j3b s PRO 339 Cb -0.20 -3.11 -0.23 0.00 0.02 0.00 0.00 34.50 30.97 1j3b s PRO 339 CO 0.25 -0.67 0.51 0.54 -0.33 0.00 0.00 177.00 177.31 1j3b n ARG 340 N 3.86 0.65 -3.81 5.54 5.12 0.64 -4.43 116.66 124.22 1j3b n ARG 340 Ca 0.14 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 1j3b n ARG 340 Cb 0.37 -1.62 -0.12 0.00 -1.16 0.00 0.00 32.46 29.93 1j3b n ARG 340 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j3b s ALA 341 N -3.11 -0.44 -0.05 7.54 0.00 -1.17 -1.06 121.76 123.46 1j3b s ALA 341 Ca -0.07 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1j3b s ALA 341 Cb 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1j3b s ALA 341 CO 0.85 -0.09 -0.14 0.42 0.00 0.00 0.00 175.76 176.81 1j3b s ILE 342 N 0.01 1.19 -0.13 0.00 1.01 0.89 -1.92 121.20 122.25 1j3b s ILE 342 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1j3b s ILE 342 Cb -0.02 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1j3b s ILE 342 CO 0.00 0.36 -0.22 -0.36 0.00 0.00 0.00 174.94 174.72 1j3b s PHE 343 N 0.35 2.65 -0.33 3.97 0.40 -0.11 -0.66 117.98 124.25 1j3b s PHE 343 Ca -0.09 -1.17 -0.10 0.00 -0.60 0.00 0.00 56.93 54.97 1j3b s PHE 343 Cb -0.13 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 1j3b s PHE 343 CO 0.03 -0.51 0.17 -0.06 0.70 0.00 0.00 175.22 175.55 1j3b s PHE 344 N 0.61 3.20 -0.09 0.36 0.08 0.12 -0.39 117.98 121.87 1j3b s PHE 344 Ca -0.12 -0.61 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 1j3b s PHE 344 Cb -0.16 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.85 1j3b s PHE 344 CO 0.03 -0.49 0.30 -0.51 -0.10 0.00 0.00 175.22 174.45 1j3b s LEU 345 N 1.61 4.37 -0.02 -0.37 1.43 0.16 -0.20 118.68 125.66 1j3b s LEU 345 Ca 0.04 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1j3b s LEU 345 Cb -0.18 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.69 1j3b s LEU 345 CO 0.07 0.26 0.02 -0.44 0.23 0.00 0.00 176.35 176.50 1j3b s SER 346 N -0.51 0.15 -1.06 2.29 0.01 0.28 -4.27 113.70 110.60 1j3b s SER 346 Ca 0.19 0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 1j3b s SER 346 Cb -0.14 -0.11 0.21 0.00 0.21 0.00 0.00 66.02 66.19 1j3b s SER 346 CO 0.08 -0.12 1.14 0.00 0.41 0.00 0.00 173.24 174.75 1j3b s ALA 347 N 1.06 4.16 -0.80 1.44 0.00 -1.26 -0.58 121.76 125.79 1j3b s ALA 347 Ca -0.09 -3.42 -0.25 0.00 0.00 0.00 0.00 51.96 48.19 1j3b s ALA 347 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1j3b s ALA 347 CO -0.03 -2.52 1.64 0.34 0.00 0.00 0.00 175.76 175.19 1j3b s ASP 348 N 2.32 5.73 0.00 0.00 2.15 -1.26 -2.13 116.67 123.48 1j3b s ASP 348 Ca 0.32 -0.47 0.20 0.00 0.43 0.00 0.00 52.55 53.03 1j3b s ASP 348 Cb -0.07 -2.55 0.98 0.00 -0.30 0.00 0.00 42.92 40.98 1j3b s ASP 348 CO -0.06 -2.14 1.62 0.00 -0.17 0.00 0.00 175.17 174.42 1j3b n ALA 349 N 11.33 2.03 0.65 3.66 0.00 -1.26 -1.53 120.51 135.39 1j3b n ALA 349 Ca 0.23 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1j3b n ALA 349 Cb 0.50 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.95 1j3b n ALA 349 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3b n TYR 350 N -1.30 0.68 -2.05 0.00 4.02 -1.26 -1.34 117.16 115.90 1j3b n TYR 350 Ca 0.09 0.20 -0.11 0.00 -0.01 0.00 0.00 57.90 58.06 1j3b n TYR 350 Cb 0.16 -0.77 -0.01 0.00 -0.02 0.00 0.00 39.34 38.70 1j3b n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j3b n GLY 351 N 1.34 0.16 0.13 2.72 0.00 -1.00 -4.04 105.19 104.51 1j3b n GLY 351 Ca 0.05 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1j3b n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j3b n VAL 352 N -3.76 1.53 -2.07 1.61 0.31 -1.26 -4.58 118.33 110.11 1j3b n VAL 352 Ca -0.13 -0.39 -0.41 0.00 -0.01 0.00 0.00 64.34 63.40 1j3b n VAL 352 Cb 0.56 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.67 1j3b n VAL 352 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1j3b s LEU 353 N -7.34 4.41 0.79 7.52 1.43 -1.26 -4.78 118.68 119.45 1j3b s LEU 353 Ca -0.36 2.73 -0.10 0.00 -1.03 0.00 0.00 54.13 55.36 1j3b s LEU 353 Cb 0.12 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.76 1j3b s LEU 353 CO 0.53 -0.59 1.10 -2.16 0.23 0.00 0.00 176.35 175.46 1j3b s PRO 354 N -1.70 2.11 0.53 1.29 0.04 -1.26 -4.84 135.00 131.17 1j3b s PRO 354 Ca 0.50 1.18 0.22 0.00 0.04 0.00 0.00 61.00 62.95 1j3b s PRO 354 Cb -0.41 -1.88 1.37 0.00 0.04 0.00 0.00 34.50 33.62 1j3b s PRO 354 CO 0.53 -1.75 2.06 -1.00 0.04 0.00 0.00 177.00 176.88 1j3b h PRO 355 N -1.21 0.00 -2.10 0.56 0.13 -1.81 -3.23 132.00 124.34 1j3b h PRO 355 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1j3b h PRO 355 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 1j3b h PRO 355 CO 0.51 0.00 0.10 -1.50 -0.23 0.00 0.00 178.00 176.88 1j3b s ILE 356 N -5.01 0.00 -0.02 -3.56 2.07 -1.26 -1.67 121.20 111.76 1j3b s ILE 356 Ca -0.05 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1j3b s ILE 356 Cb 0.18 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1j3b s ILE 356 CO 0.70 -0.01 0.09 0.00 -1.91 0.00 0.00 174.94 173.81 1j3b s ALA 357 N -0.23 -0.21 -0.19 1.50 0.00 -0.37 -4.51 121.76 117.76 1j3b s ALA 357 Ca -0.04 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 1j3b s ALA 357 Cb -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1j3b s ALA 357 CO 0.04 -0.11 0.45 0.50 0.00 0.00 0.00 175.76 176.64 1j3b s ARG 358 N -0.56 4.21 0.06 0.00 3.52 0.30 -0.64 118.95 125.85 1j3b s ARG 358 Ca -0.06 0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 1j3b s ARG 358 Cb -0.04 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1j3b s ARG 358 CO 0.00 -0.03 0.24 -0.51 -0.81 0.00 0.00 175.30 174.19 1j3b s LEU 359 N 1.28 4.35 0.73 -0.88 1.43 0.43 -3.03 118.68 122.99 1j3b s LEU 359 Ca 0.22 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1j3b s LEU 359 Cb -0.15 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1j3b s LEU 359 CO 0.09 0.17 1.04 -0.94 0.23 0.00 0.00 176.35 176.94 1j3b s SER 360 N -2.35 4.53 0.24 2.29 1.04 -1.26 -4.46 113.70 113.73 1j3b s SER 360 Ca 0.34 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 1j3b s SER 360 Cb -0.13 -0.82 0.27 0.00 0.10 0.00 0.00 66.02 65.44 1j3b s SER 360 CO 0.25 -1.77 1.89 -0.65 0.98 0.00 0.00 173.24 173.94 1j3b h PRO 361 N -0.70 1.13 -0.56 4.02 0.11 -1.99 0.18 132.00 134.20 1j3b h PRO 361 Ca -0.43 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1j3b h PRO 361 Cb 1.30 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1j3b h PRO 361 CO 0.54 0.75 0.10 0.93 -0.21 0.00 0.00 178.00 180.11 1j3b h GLU 362 N 1.17 0.91 -0.39 1.05 3.07 -1.93 -2.06 114.58 116.40 1j3b h GLU 362 Ca 0.36 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 1j3b h GLU 362 Cb -0.03 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1j3b h GLU 362 CO -0.11 0.88 -0.26 0.93 -1.40 0.00 0.00 179.01 179.05 1j3b h GLU 363 N 0.81 0.80 -0.42 2.33 5.08 -1.78 -1.58 114.58 119.83 1j3b h GLU 363 Ca 0.17 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1j3b h GLU 363 Cb 0.40 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1j3b h GLU 363 CO 0.01 0.97 0.19 0.00 -1.00 0.00 0.00 179.01 179.17 1j3b h ALA 364 N 1.02 0.51 -0.62 3.43 0.00 -0.35 0.27 119.26 123.53 1j3b h ALA 364 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1j3b h ALA 364 Cb 0.78 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1j3b h ALA 364 CO 0.06 -0.18 0.01 0.52 0.00 0.00 0.00 179.25 179.67 1j3b h MET 365 N 0.38 1.08 -0.16 0.00 2.86 -1.20 -0.21 114.93 117.69 1j3b h MET 365 Ca 0.19 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1j3b h MET 365 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1j3b h MET 365 CO -0.15 1.04 0.11 -0.92 1.06 0.00 0.00 176.91 178.05 1j3b h TYR 366 N 0.99 0.21 0.00 -0.22 5.03 -0.56 -1.34 116.97 121.09 1j3b h TYR 366 Ca 0.18 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.41 1j3b h TYR 366 Cb 0.55 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 1j3b h TYR 366 CO 0.04 0.14 -0.41 1.88 -1.32 0.00 0.00 178.16 178.49 1j3b h TYR 367 N 0.22 0.00 -0.36 -3.82 0.05 -0.89 -1.62 116.97 110.56 1j3b h TYR 367 Ca 0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 1j3b h TYR 367 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1j3b h TYR 367 CO -0.07 0.41 -0.14 0.35 -1.05 0.00 0.00 178.16 177.67 1j3b h PHE 368 N 0.00 0.83 0.00 4.88 3.57 -0.76 -1.02 116.94 124.43 1j3b h PHE 368 Ca -0.00 -0.19 -0.11 0.00 3.53 0.00 0.00 57.97 61.19 1j3b h PHE 368 Cb 1.05 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1j3b h PHE 368 CO 0.00 0.90 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.38 1j3b h LEU 369 N 0.51 0.00 -0.02 0.59 3.38 -1.16 0.80 115.31 119.41 1j3b h LEU 369 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1j3b h LEU 369 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1j3b h LEU 369 CO 0.05 0.53 -0.02 0.28 0.09 0.00 0.00 178.44 179.36 1j3b h SER 370 N 0.00 0.05 -6.11 -0.43 0.02 -1.03 -3.32 113.55 102.73 1j3b h SER 370 Ca -0.01 -0.52 -0.41 0.00 -0.84 0.00 0.00 61.79 60.02 1j3b h SER 370 Cb 0.96 -0.01 0.07 0.00 0.14 0.00 0.00 62.40 63.56 1j3b h SER 370 CO 0.07 0.56 -0.88 0.61 -1.14 0.00 0.00 176.83 176.04 1j3b n GLY 371 N 0.30 -0.66 3.85 -3.77 0.00 -0.41 -2.68 105.19 101.82 1j3b n GLY 371 Ca -0.08 0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1j3b n GLY 371 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j3b s TYR 372 N -3.59 3.52 -0.06 1.61 5.04 -1.26 -1.04 117.35 121.56 1j3b s TYR 372 Ca 0.24 1.04 -0.29 0.00 -2.44 0.00 0.00 57.07 55.62 1j3b s TYR 372 Cb -0.07 -2.37 0.11 0.00 0.35 0.00 0.00 41.96 39.97 1j3b s TYR 372 CO 0.83 0.33 0.88 -0.08 -1.34 0.00 0.00 175.55 176.17 1j3b s THR 373 N -1.65 0.00 -0.03 4.34 -1.32 -0.88 -4.39 115.64 111.71 1j3b s THR 373 Ca 0.43 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1j3b s THR 373 Cb -0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.82 1j3b s THR 373 CO 0.20 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.59 1j3b s ALA 374 N -2.08 3.19 0.10 11.08 0.00 -0.91 -0.19 121.76 132.95 1j3b s ALA 374 Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1j3b s ALA 374 Cb -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1j3b s ALA 374 CO -0.02 0.62 0.06 1.03 0.00 0.00 0.00 175.76 177.44 1j3b s ARG 375 N -1.26 2.76 0.05 0.00 1.81 0.21 -4.70 118.95 117.81 1j3b s ARG 375 Ca 0.17 -0.78 -0.22 0.00 -1.72 0.00 0.00 55.73 53.18 1j3b s ARG 375 Cb -0.11 -2.64 0.07 0.00 -0.45 0.00 0.00 34.95 31.82 1j3b s ARG 375 CO 0.07 0.54 1.00 1.55 -0.68 0.00 0.00 175.30 177.78 1j3b n VAL 376 N 0.35 0.00 -5.05 3.52 3.14 -1.26 0.45 118.33 119.48 1j3b n VAL 376 Ca -0.09 -0.26 -0.28 0.00 -2.96 0.00 0.00 64.34 60.75 1j3b n VAL 376 Cb 0.52 0.54 -0.16 0.00 -1.06 0.00 0.00 33.84 33.69 1j3b n VAL 376 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1j3b s PRO 386 N -2.02 1.91 -0.19 1.45 0.04 -1.26 -5.26 135.00 129.66 1j3b s PRO 386 Ca 0.23 -0.76 -0.00 0.00 0.04 0.00 0.00 61.00 60.51 1j3b s PRO 386 Cb -0.01 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1j3b s PRO 386 CO 0.01 0.40 -0.16 0.50 0.04 0.00 0.00 177.00 177.79 1j3b s ARG 387 N -0.31 3.06 0.27 4.56 3.52 0.17 -5.04 118.95 125.19 1j3b s ARG 387 Ca 0.03 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1j3b s ARG 387 Cb -0.10 -2.68 -0.09 0.00 -1.56 0.00 0.00 34.95 30.51 1j3b s ARG 387 CO 0.01 -0.22 1.20 0.00 -0.81 0.00 0.00 175.30 175.48 1j3b s ALA 388 N 1.33 3.45 -0.02 6.12 0.00 -1.26 0.64 121.76 132.02 1j3b s ALA 388 Ca 0.05 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1j3b s ALA 388 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1j3b s ALA 388 CO -0.10 -0.38 -0.18 0.99 0.00 0.00 0.00 175.76 176.09 1j3b s THR 389 N -0.86 1.41 -0.17 0.00 2.01 0.73 -4.89 115.64 113.86 1j3b s THR 389 Ca 0.48 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1j3b s THR 389 Cb -0.35 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.03 1j3b s THR 389 CO 0.44 0.40 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.36 1j3b s PHE 390 N -0.36 1.66 -0.31 4.92 0.40 -1.26 -2.06 117.98 120.96 1j3b s PHE 390 Ca 0.06 -1.08 0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1j3b s PHE 390 Cb -0.07 -1.29 0.09 0.00 0.51 0.00 0.00 43.02 42.25 1j3b s PHE 390 CO -0.00 -0.62 0.02 0.45 0.70 0.00 0.00 175.22 175.77 1j3b s SER 391 N 1.65 4.54 0.07 1.36 0.15 -0.21 -4.97 113.70 116.29 1j3b s SER 391 Ca 0.00 -1.88 -0.36 0.00 0.70 0.00 0.00 55.95 54.41 1j3b s SER 391 Cb -0.16 -1.48 -0.18 0.00 -1.71 0.00 0.00 66.02 62.49 1j3b s SER 391 CO -0.08 -0.34 1.06 0.00 1.20 0.00 0.00 173.24 175.09 1j3b n ALA 392 N 4.39 -2.54 -1.52 5.45 0.00 -1.25 -0.24 120.51 124.80 1j3b n ALA 392 Ca -0.01 0.54 -0.18 0.00 0.00 0.00 0.00 53.44 53.79 1j3b n ALA 392 Cb 0.42 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.95 1j3b n ALA 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3b n PHE 394 N -2.30 -0.47 -2.42 0.00 3.72 0.67 -4.64 117.46 112.01 1j3b n PHE 394 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1j3b n PHE 394 Cb 0.65 -3.66 0.03 0.00 -0.94 0.00 0.00 39.48 35.56 1j3b n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j3b n GLY 395 N -0.66 0.02 0.34 1.37 0.00 -0.68 -4.83 105.19 100.75 1j3b n GLY 395 Ca -0.22 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 45.91 1j3b n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 396 N 0.29 1.70 0.00 4.61 0.00 -1.50 -1.43 119.26 122.93 1j3b h ALA 396 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j3b h ALA 396 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1j3b h ALA 396 CO -0.07 -0.25 0.00 -2.30 0.00 0.00 0.00 179.25 176.63 1j3b n PRO 397 N -4.90 0.11 -0.16 0.00 -0.02 -1.26 -2.17 135.00 126.60 1j3b n PRO 397 Ca 0.25 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 1j3b n PRO 397 Cb 0.70 -1.85 0.13 0.00 -0.02 0.00 0.00 33.50 32.46 1j3b n PRO 397 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1j3b n PHE 398 N -2.09 0.41 -3.40 6.00 3.72 -0.54 -4.95 117.46 116.61 1j3b n PHE 398 Ca -0.01 -0.54 -0.40 0.00 -0.05 0.00 0.00 57.45 56.45 1j3b n PHE 398 Cb 0.04 -0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 38.43 1j3b n PHE 398 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1j3b s LEU 399 N -1.19 4.27 0.18 4.37 1.43 -0.92 -4.25 118.68 122.56 1j3b s LEU 399 Ca 0.21 -0.02 0.25 0.00 -1.03 0.00 0.00 54.13 53.53 1j3b s LEU 399 Cb 0.12 -2.37 0.56 0.00 0.03 0.00 0.00 46.19 44.53 1j3b s LEU 399 CO 0.12 -0.28 1.55 1.55 0.23 0.00 0.00 176.35 179.52 1j3b h PRO 400 N 8.36 0.00 -6.00 1.29 0.13 -1.87 -3.45 132.00 130.46 1j3b h PRO 400 Ca -0.31 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 1j3b h PRO 400 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1j3b h PRO 400 CO 0.67 0.00 -0.67 -1.64 -0.23 0.00 0.00 178.00 176.14 1j3b s MET 401 N -3.14 1.91 0.31 0.86 -1.94 -1.26 -0.90 119.30 115.14 1j3b s MET 401 Ca 0.08 -1.84 -0.30 0.00 -1.71 0.00 0.00 55.69 51.93 1j3b s MET 401 Cb 0.13 -1.80 -0.11 0.00 2.01 0.00 0.00 34.83 35.05 1j3b s MET 401 CO 0.66 0.16 1.58 -1.58 -0.01 0.00 0.00 175.02 175.84 1j3b s HIS 402 N -2.56 2.70 0.42 -0.03 2.46 -1.26 -4.77 115.29 112.24 1j3b s HIS 402 Ca 0.33 0.84 0.25 0.00 0.47 0.00 0.00 55.06 56.95 1j3b s HIS 402 Cb 0.01 -4.08 1.28 0.00 -0.13 0.00 0.00 32.58 29.65 1j3b s HIS 402 CO 0.17 -3.54 1.70 -1.35 -2.47 0.00 0.00 174.74 169.25 1j3b h PRO 403 N 4.47 0.22 -0.40 2.88 0.11 -1.97 0.19 132.00 137.50 1j3b h PRO 403 Ca -0.48 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1j3b h PRO 403 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1j3b h PRO 403 CO 0.76 0.14 0.28 0.78 -0.21 0.00 0.00 178.00 179.75 1j3b h GLY 404 N 0.23 0.34 1.00 -0.55 0.00 -1.93 -0.11 103.07 102.05 1j3b h GLY 404 Ca 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1j3b h GLY 404 CO -0.35 0.08 0.24 -2.08 0.00 0.00 0.00 176.54 174.44 1j3b h VAL 405 N 0.28 1.11 -0.24 4.60 2.07 -0.96 -0.12 116.25 122.98 1j3b h VAL 405 Ca 0.18 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.32 1j3b h VAL 405 Cb 0.36 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1j3b h VAL 405 CO -0.04 0.10 -0.50 1.88 0.02 0.00 0.00 177.57 179.03 1j3b h TYR 406 N 0.51 0.97 -0.90 1.57 0.05 -1.35 -2.62 116.97 115.20 1j3b h TYR 406 Ca 0.14 -0.36 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 1j3b h TYR 406 Cb -0.04 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 1j3b h TYR 406 CO -0.05 1.16 0.52 0.00 -1.05 0.00 0.00 178.16 178.75 1j3b h ALA 407 N 0.63 1.23 -0.50 3.88 0.00 -0.93 -1.47 119.26 122.11 1j3b h ALA 407 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1j3b h ALA 407 Cb 1.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1j3b h ALA 407 CO 0.11 0.64 0.07 0.00 0.00 0.00 0.00 179.25 180.07 1j3b h ARG 408 N 1.24 0.80 -0.42 0.00 3.08 -0.94 -1.15 114.38 116.99 1j3b h ARG 408 Ca 0.32 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1j3b h ARG 408 Cb -0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1j3b h ARG 408 CO -0.06 0.76 0.04 0.52 -1.07 0.00 0.00 179.97 180.17 1j3b h MET 409 N 0.76 0.71 -0.78 0.04 2.86 -0.99 -2.53 114.93 115.00 1j3b h MET 409 Ca 0.16 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1j3b h MET 409 Cb 0.37 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1j3b h MET 409 CO 0.01 0.77 0.48 1.25 1.06 0.00 0.00 176.91 180.48 1j3b h LEU 410 N 0.56 0.78 -0.71 1.22 5.85 -0.89 -0.70 115.31 121.42 1j3b h LEU 410 Ca 0.12 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1j3b h LEU 410 Cb 0.42 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1j3b h LEU 410 CO 0.01 0.52 0.40 1.23 -0.34 0.00 0.00 178.44 180.26 1j3b h GLY 411 N 0.92 1.05 1.06 3.75 0.00 -0.88 0.11 103.07 109.07 1j3b h GLY 411 Ca 0.33 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 1j3b h GLY 411 CO -0.14 0.16 -0.13 0.83 0.00 0.00 0.00 176.54 177.25 1j3b h GLU 412 N 0.72 0.93 -0.78 4.80 4.39 -0.96 -1.03 114.58 122.65 1j3b h GLU 412 Ca 0.32 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1j3b h GLU 412 Cb 0.21 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1j3b h GLU 412 CO -0.19 1.02 0.43 0.87 -1.16 0.00 0.00 179.01 179.98 1j3b h LYS 413 N 0.78 1.09 -0.42 2.33 1.79 -0.50 -1.34 116.57 120.31 1j3b h LYS 413 Ca 0.12 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.32 1j3b h LYS 413 Cb 0.69 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1j3b h LYS 413 CO 0.05 0.81 -0.29 0.82 -1.08 0.00 0.00 179.45 179.76 1j3b h ILE 414 N 1.08 1.27 -0.62 1.86 2.04 -0.63 -0.47 117.51 122.04 1j3b h ILE 414 Ca 0.28 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 1j3b h ILE 414 Cb 0.03 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1j3b h ILE 414 CO -0.04 0.49 0.10 -0.09 0.00 0.00 0.00 178.15 178.61 1j3b h ARG 415 N 0.77 1.00 0.15 2.37 2.43 -0.84 0.22 114.38 120.48 1j3b h ARG 415 Ca 0.09 -0.25 -0.30 0.00 -0.81 0.00 0.00 59.98 58.71 1j3b h ARG 415 Cb 0.85 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1j3b h ARG 415 CO 0.08 0.92 -1.38 -0.22 -1.51 0.00 0.00 179.97 177.85 1j3b h LYS 416 N 0.94 0.32 -0.01 0.20 3.64 -1.17 -3.38 116.57 117.12 1j3b h LYS 416 Ca 0.19 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1j3b h LYS 416 Cb 0.40 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1j3b h LYS 416 CO 0.01 1.24 -0.43 0.72 -2.27 0.00 0.00 179.45 178.71 1j3b n HIS 417 N -3.55 0.00 -4.13 1.91 8.25 -0.20 -5.03 115.22 112.48 1j3b n HIS 417 Ca -0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.99 1j3b n HIS 417 Cb 1.05 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.11 1j3b n HIS 417 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3b n ALA 418 N -0.46 -2.14 -1.53 -1.41 0.00 0.76 -4.92 120.51 110.81 1j3b n ALA 418 Ca 0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 1j3b n ALA 418 Cb 0.31 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.49 1j3b n ALA 418 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3b s PRO 419 N -7.14 2.09 0.02 0.00 0.04 -1.26 -4.99 135.00 123.76 1j3b s PRO 419 Ca 0.18 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.69 1j3b s PRO 419 Cb -0.10 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1j3b s PRO 419 CO 0.91 -1.62 0.63 1.03 0.04 0.00 0.00 177.00 177.99 1j3b s ARG 420 N -5.13 4.35 -0.09 4.56 0.52 -0.23 -4.92 118.95 118.01 1j3b s ARG 420 Ca 0.61 0.81 0.04 0.00 -0.52 0.00 0.00 55.73 56.66 1j3b s ARG 420 Cb -0.15 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 1j3b s ARG 420 CO 0.54 0.39 -0.21 0.08 0.02 0.00 0.00 175.30 176.12 1j3b s VAL 421 N -0.29 2.39 0.04 3.52 1.01 -1.26 -0.07 120.40 125.74 1j3b s VAL 421 Ca 0.32 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1j3b s VAL 421 Cb -0.19 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1j3b s VAL 421 CO 0.19 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.38 1j3b s TYR 422 N 0.11 1.38 -0.25 5.22 1.51 0.17 -0.43 117.35 125.07 1j3b s TYR 422 Ca -0.10 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.52 1j3b s TYR 422 Cb -0.16 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1j3b s TYR 422 CO 0.06 0.05 0.12 -1.17 -1.11 0.00 0.00 175.55 173.50 1j3b s LEU 423 N -1.11 3.79 -0.19 -1.29 2.96 0.19 -0.70 118.68 122.33 1j3b s LEU 423 Ca 0.03 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1j3b s LEU 423 Cb -0.08 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1j3b s LEU 423 CO 0.01 0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.24 1j3b s VAL 424 N 1.40 2.78 -0.57 1.68 1.01 0.72 -1.24 120.40 126.17 1j3b s VAL 424 Ca 0.06 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1j3b s VAL 424 Cb -0.15 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.11 1j3b s VAL 424 CO 0.06 0.49 0.71 0.21 0.00 0.00 0.00 175.10 176.57 1j3b s ASN 425 N 1.19 6.20 -0.08 3.32 2.47 -0.67 -0.55 114.94 126.81 1j3b s ASN 425 Ca 0.02 -1.20 0.11 0.00 0.42 0.00 0.00 52.86 52.20 1j3b s ASN 425 Cb -0.14 -2.31 0.45 0.00 -1.45 0.00 0.00 41.25 37.79 1j3b s ASN 425 CO -0.05 -1.09 1.28 0.35 -3.72 0.00 0.00 177.10 173.87 1j3b n THR 426 N 5.62 1.21 0.00 -5.21 -2.24 0.26 -4.60 114.28 109.32 1j3b n THR 426 Ca -0.08 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1j3b n THR 426 Cb 0.44 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1j3b n THR 426 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3b n GLY 427 N 0.72 0.50 3.70 3.38 0.00 -1.23 -4.60 105.19 107.67 1j3b n GLY 427 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1j3b n GLY 427 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3b s TRP 428 N 2.12 2.96 0.05 1.61 0.51 -0.58 -1.30 118.94 124.31 1j3b s TRP 428 Ca 0.00 -0.08 -0.02 0.00 -2.12 0.00 0.00 56.10 53.88 1j3b s TRP 428 Cb 0.00 -1.45 -0.03 0.00 -0.81 0.00 0.00 33.47 31.18 1j3b s TRP 428 CO 0.00 0.51 0.01 -0.08 -0.51 0.00 0.00 176.95 176.88 1j3b s THR 429 N -1.64 0.19 0.00 2.01 -1.32 -0.47 -4.19 115.64 110.22 1j3b s THR 429 Ca 0.28 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 1j3b s THR 429 Cb -0.10 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 1j3b s THR 429 CO 0.20 -0.88 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 1j3b n GLY 430 N 0.27 0.92 0.00 6.08 0.00 -1.26 -1.20 105.19 110.00 1j3b n GLY 430 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1j3b n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3b n GLY 431 N -2.15 2.12 3.45 -0.02 0.00 -1.26 -4.29 105.19 103.04 1j3b n GLY 431 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 1j3b n GLY 431 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1j3b s PRO 432 N -1.72 -1.48 0.23 1.61 0.02 -1.26 -3.35 135.00 129.05 1j3b s PRO 432 Ca 0.00 0.58 -0.32 0.00 0.02 0.00 0.00 61.00 61.29 1j3b s PRO 432 Cb 0.00 -1.51 -0.13 0.00 0.02 0.00 0.00 34.50 32.89 1j3b s PRO 432 CO 0.00 -4.03 1.59 0.98 -0.33 0.00 0.00 177.00 175.21 1j3b n TYR 433 N -5.10 2.56 0.00 6.54 9.36 -0.45 0.07 117.16 130.15 1j3b n TYR 433 Ca 0.05 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1j3b n TYR 433 Cb 0.56 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 1j3b n TYR 433 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j3b n GLY 434 N 2.94 2.93 0.68 2.98 0.00 -1.26 -4.74 105.19 108.71 1j3b n GLY 434 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1j3b n GLY 434 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j3b n VAL 435 N -2.00 0.39 -1.93 1.61 0.31 -0.20 -5.04 118.33 111.48 1j3b n VAL 435 Ca 0.00 -0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.16 1j3b n VAL 435 Cb 0.00 -1.48 0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1j3b n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3b n GLY 436 N 2.63 -0.00 3.33 2.92 0.00 0.11 -4.78 105.19 109.40 1j3b n GLY 436 Ca -0.14 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 1j3b n GLY 436 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j3b s TYR 437 N -1.06 1.58 0.08 1.61 1.13 -0.34 -4.84 117.35 115.50 1j3b s TYR 437 Ca 0.18 -0.76 -0.26 0.00 -1.41 0.00 0.00 57.07 54.83 1j3b s TYR 437 Cb -0.01 -0.84 -0.06 0.00 -1.10 0.00 0.00 41.96 39.95 1j3b s TYR 437 CO 0.12 0.14 0.79 0.50 -2.51 0.00 0.00 175.55 174.60 1j3b s ARG 438 N -3.76 4.54 0.02 -3.49 3.52 -1.26 -1.37 118.95 117.15 1j3b s ARG 438 Ca 0.24 1.14 -0.36 0.00 -0.13 0.00 0.00 55.73 56.62 1j3b s ARG 438 Cb 0.03 -3.34 -0.15 0.00 -1.56 0.00 0.00 34.95 29.93 1j3b s ARG 438 CO 0.06 0.34 1.54 1.19 -0.81 0.00 0.00 175.30 177.63 1j3b n PHE 439 N 2.51 1.91 -2.22 5.12 3.01 -0.42 -4.90 117.46 122.47 1j3b n PHE 439 Ca -0.03 0.45 -0.37 0.00 1.01 0.00 0.00 57.45 58.51 1j3b n PHE 439 Cb 0.50 -2.45 -0.00 0.00 -0.01 0.00 0.00 39.48 37.51 1j3b n PHE 439 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1j3b s PRO 440 N 1.55 3.61 0.36 -1.08 0.04 -1.26 -4.89 135.00 133.34 1j3b s PRO 440 Ca 0.86 1.77 0.10 0.00 0.04 0.00 0.00 61.00 63.77 1j3b s PRO 440 Cb -0.87 -2.30 0.84 0.00 0.04 0.00 0.00 34.50 32.21 1j3b s PRO 440 CO 0.48 -0.67 1.88 -0.07 0.04 0.00 0.00 177.00 178.66 1j3b h LEU 441 N 1.80 0.62 -1.68 -3.56 3.38 -1.98 -1.49 115.31 112.40 1j3b h LEU 441 Ca -0.50 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1j3b h LEU 441 Cb 1.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1j3b h LEU 441 CO 0.59 0.32 0.30 -0.65 0.09 0.00 0.00 178.44 179.10 1j3b h PRO 442 N 0.66 0.39 -0.09 1.13 0.11 -1.98 0.18 132.00 132.40 1j3b h PRO 442 Ca 0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 1j3b h PRO 442 Cb 0.71 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1j3b h PRO 442 CO -0.19 0.26 -0.07 0.28 -0.21 0.00 0.00 178.00 178.07 1j3b h VAL 443 N 0.40 1.35 -0.68 3.15 2.07 -1.63 0.27 116.25 121.18 1j3b h VAL 443 Ca 0.19 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1j3b h VAL 443 Cb 0.26 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1j3b h VAL 443 CO -0.05 0.33 0.35 0.74 0.02 0.00 0.00 177.57 178.96 1j3b h THR 444 N -0.18 1.22 -0.57 2.57 2.02 -1.35 -1.00 112.91 115.62 1j3b h THR 444 Ca 0.02 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1j3b h THR 444 Cb 0.57 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1j3b h THR 444 CO 0.02 0.25 0.29 0.03 0.37 0.00 0.00 175.52 176.48 1j3b h ARG 445 N 0.94 0.81 -0.94 6.66 3.08 -0.60 -1.42 114.38 122.91 1j3b h ARG 445 Ca 0.24 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1j3b h ARG 445 Cb 0.08 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1j3b h ARG 445 CO -0.03 0.65 0.62 0.00 -1.07 0.00 0.00 179.97 180.14 1j3b h ALA 446 N 1.12 1.34 -0.48 0.04 0.00 -0.41 -0.17 119.26 120.70 1j3b h ALA 446 Ca 0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1j3b h ALA 446 Cb 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1j3b h ALA 446 CO -0.03 0.60 -0.18 -0.07 0.00 0.00 0.00 179.25 179.58 1j3b h LEU 447 N 1.26 0.98 -0.66 0.00 3.38 -0.78 -1.71 115.31 117.78 1j3b h LEU 447 Ca 0.35 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1j3b h LEU 447 Cb -0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 1j3b h LEU 447 CO -0.08 1.15 -0.01 -0.07 0.09 0.00 0.00 178.44 179.51 1j3b h LEU 448 N 0.81 1.01 -0.57 1.67 4.07 -0.79 -0.46 115.31 121.04 1j3b h LEU 448 Ca 0.11 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 1j3b h LEU 448 Cb 0.75 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1j3b h LEU 448 CO 0.06 1.07 0.28 0.50 -1.08 0.00 0.00 178.44 179.26 1j3b h LYS 449 N 0.94 0.83 -0.66 1.13 3.64 -0.91 0.14 116.57 121.67 1j3b h LYS 449 Ca 0.17 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1j3b h LYS 449 Cb 0.56 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1j3b h LYS 449 CO 0.03 0.67 0.27 0.00 -2.27 0.00 0.00 179.45 178.15 1j3b h ALA 450 N 1.11 0.86 -0.47 5.00 0.00 -1.03 -1.63 119.26 123.10 1j3b h ALA 450 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1j3b h ALA 450 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1j3b h ALA 450 CO -0.03 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1j3b h ALA 451 N 1.12 0.64 -0.12 0.00 0.00 -0.73 -2.01 119.26 118.17 1j3b h ALA 451 Ca 0.22 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1j3b h ALA 451 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j3b h ALA 451 CO -0.02 0.47 -0.40 -0.07 0.00 0.00 0.00 179.25 179.23 1j3b h LEU 452 N 0.70 0.27 0.00 0.00 3.38 -0.78 -3.11 115.31 115.77 1j3b h LEU 452 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j3b h LEU 452 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1j3b h LEU 452 CO 0.03 0.65 -0.04 0.77 0.09 0.00 0.00 178.44 179.94 1j3b h SER 453 N 0.22 0.00 0.00 -0.43 4.64 -1.28 -3.47 113.55 113.23 1j3b h SER 453 Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1j3b h SER 453 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1j3b h SER 453 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1j3b n GLY 454 N 1.21 0.56 0.27 -0.77 0.00 -1.12 -4.96 105.19 100.38 1j3b n GLY 454 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1j3b n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 455 N 0.00 1.34 -0.00 4.61 0.00 -1.63 -1.28 119.26 122.30 1j3b h ALA 455 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j3b h ALA 455 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1j3b h ALA 455 CO 0.00 0.13 -0.06 1.28 0.00 0.00 0.00 179.25 180.60 1j3b n LEU 456 N -3.70 0.20 0.17 0.00 4.77 -1.17 -2.95 117.00 114.31 1j3b n LEU 456 Ca -0.02 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1j3b n LEU 456 Cb 0.21 -0.24 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1j3b n LEU 456 CO 0.30 0.04 0.58 -0.33 -1.33 0.00 0.00 177.39 176.64 1j3b h GLU 457 N 0.22 0.00 -0.69 3.23 4.39 -1.55 -3.34 114.58 116.85 1j3b h GLU 457 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1j3b h GLU 457 Cb 0.32 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.66 1j3b h GLU 457 CO 0.00 0.18 -0.27 0.09 -1.16 0.00 0.00 179.01 177.84 1j3b n ASN 458 N -3.09 4.87 -4.33 1.42 4.13 -1.15 -5.01 115.26 112.09 1j3b n ASN 458 Ca 0.02 -3.78 -0.18 0.00 1.68 0.00 0.00 54.58 52.33 1j3b n ASN 458 Cb 0.61 -0.55 -0.10 0.00 -1.54 0.00 0.00 39.78 38.20 1j3b n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1j3b s VAL 459 N -4.30 1.66 0.37 2.41 -7.23 -1.25 -5.10 120.40 106.95 1j3b s VAL 459 Ca 0.52 -2.16 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 1j3b s VAL 459 Cb 0.43 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 1j3b s VAL 459 CO 0.01 -0.59 1.09 -2.84 -0.31 0.00 0.00 175.10 172.46 1j3b s PRO 460 N -3.56 4.27 0.37 4.82 0.02 -1.26 -4.91 135.00 134.76 1j3b s PRO 460 Ca 0.21 1.66 0.08 0.00 0.02 0.00 0.00 61.00 62.97 1j3b s PRO 460 Cb -0.01 -2.75 -0.07 0.00 0.02 0.00 0.00 34.50 31.69 1j3b s PRO 460 CO 0.06 -0.08 -0.04 0.71 -0.33 0.00 0.00 177.00 177.31 1j3b s TYR 461 N -1.47 2.45 -0.02 6.54 1.51 -1.26 0.11 117.35 125.21 1j3b s TYR 461 Ca 0.54 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1j3b s TYR 461 Cb -0.27 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1j3b s TYR 461 CO 0.34 0.51 0.08 -0.98 -1.11 0.00 0.00 175.55 174.39 1j3b s ARG 462 N -3.66 0.20 -0.07 -0.62 1.70 0.12 -4.83 118.95 111.79 1j3b s ARG 462 Ca 0.34 -0.06 -0.27 0.00 -0.47 0.00 0.00 55.73 55.27 1j3b s ARG 462 Cb 0.06 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1j3b s ARG 462 CO 0.17 -0.03 0.86 1.03 -1.08 0.00 0.00 175.30 176.25 1j3b s ARG 463 N -0.39 4.45 0.14 3.89 1.81 -1.26 -0.30 118.95 127.30 1j3b s ARG 463 Ca -0.05 1.15 -0.31 0.00 -1.72 0.00 0.00 55.73 54.80 1j3b s ARG 463 Cb -0.03 -3.49 -0.10 0.00 -0.45 0.00 0.00 34.95 30.88 1j3b s ARG 463 CO 0.00 -0.10 1.57 0.34 -0.68 0.00 0.00 175.30 176.43 1j3b s ASP 464 N 0.98 6.61 0.24 0.23 2.15 -0.28 -4.90 116.67 121.71 1j3b s ASP 464 Ca 0.44 2.57 -0.05 0.00 0.43 0.00 0.00 52.55 55.94 1j3b s ASP 464 Cb -0.19 -2.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.17 1j3b s ASP 464 CO 0.20 -0.82 1.86 -0.65 -0.17 0.00 0.00 175.17 175.59 1j3b h PRO 465 N 7.06 1.00 0.00 4.34 0.11 -1.93 0.22 132.00 142.79 1j3b h PRO 465 Ca -0.43 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 1j3b h PRO 465 Cb 1.20 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1j3b h PRO 465 CO 0.91 0.66 -1.13 0.28 -0.21 0.00 0.00 178.00 178.51 1j3b h VAL 466 N 1.03 0.92 0.00 3.15 2.07 -1.90 -3.40 116.25 118.11 1j3b h VAL 466 Ca 0.37 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1j3b h VAL 466 Cb 0.12 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1j3b h VAL 466 CO -0.16 0.31 -0.44 0.49 0.02 0.00 0.00 177.57 177.80 1j3b n PHE 467 N -4.46 0.11 0.00 1.57 3.01 -1.25 -0.98 117.46 115.47 1j3b n PHE 467 Ca -0.29 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.20 1j3b n PHE 467 Cb 0.64 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1j3b n PHE 467 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3b n GLY 468 N 1.47 2.02 3.76 1.37 0.00 0.06 -4.56 105.19 109.31 1j3b n GLY 468 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1j3b n GLY 468 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j3b s PHE 469 N -0.60 2.55 0.06 1.61 -0.00 -1.26 -4.27 117.98 116.07 1j3b s PHE 469 Ca 0.00 1.41 -0.30 0.00 -0.00 0.00 0.00 56.93 58.04 1j3b s PHE 469 Cb 0.00 -3.08 -0.05 0.00 -0.00 0.00 0.00 43.02 39.89 1j3b s PHE 469 CO 0.00 -1.96 1.03 -1.21 -0.00 0.00 0.00 175.22 173.09 1j3b s GLU 470 N -4.94 4.57 -0.11 1.99 2.02 -1.17 -1.12 118.70 119.93 1j3b s GLU 470 Ca 0.62 1.53 0.02 0.00 0.02 0.00 0.00 54.97 57.16 1j3b s GLU 470 Cb -0.17 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.67 1j3b s GLU 470 CO 0.56 -0.02 -0.19 0.08 0.02 0.00 0.00 175.26 175.72 1j3b s VAL 471 N 0.64 1.74 0.28 2.63 1.01 0.59 -0.53 120.40 126.75 1j3b s VAL 471 Ca 0.52 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1j3b s VAL 471 Cb -0.24 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1j3b s VAL 471 CO 0.29 0.49 1.40 -2.16 0.00 0.00 0.00 175.10 175.12 1j3b s PRO 472 N 0.78 4.28 0.32 2.72 0.04 -1.26 -0.70 135.00 141.18 1j3b s PRO 472 Ca -0.10 2.29 0.25 0.00 0.04 0.00 0.00 61.00 63.48 1j3b s PRO 472 Cb -0.16 -3.09 0.67 0.00 0.04 0.00 0.00 34.50 31.96 1j3b s PRO 472 CO 0.01 -0.36 1.72 -0.07 0.04 0.00 0.00 177.00 178.34 1j3b h LEU 473 N 4.41 0.00 -7.54 -3.56 3.38 -0.65 -3.46 115.31 107.90 1j3b h LEU 473 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1j3b h LEU 473 Cb 1.22 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 1j3b h LEU 473 CO 0.73 0.00 -0.06 -1.83 0.09 0.00 0.00 178.44 177.37 1j3b s GLU 474 N -3.19 1.17 -0.26 1.13 -1.05 -1.26 -4.85 118.70 110.39 1j3b s GLU 474 Ca 0.08 -0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 53.99 1j3b s GLU 474 Cb 0.09 0.48 0.10 0.00 -0.44 0.00 0.00 34.13 34.36 1j3b s GLU 474 CO 0.61 -0.47 0.60 0.00 0.95 0.00 0.00 175.26 176.95 1j3b s ALA 475 N -3.84 -1.74 0.25 -0.84 0.00 -1.26 -4.87 121.76 109.45 1j3b s ALA 475 Ca 0.06 2.15 -0.31 0.00 0.00 0.00 0.00 51.96 53.86 1j3b s ALA 475 Cb 0.01 -1.50 -0.13 0.00 0.00 0.00 0.00 23.12 21.50 1j3b s ALA 475 CO -0.08 -0.64 1.37 -0.35 0.00 0.00 0.00 175.76 176.06 1j3b n PRO 476 N 4.93 1.98 -1.02 0.00 -0.04 -1.26 -1.47 135.00 138.12 1j3b n PRO 476 Ca -0.15 0.71 -0.01 0.00 -0.04 0.00 0.00 63.50 64.00 1j3b n PRO 476 Cb 0.53 -2.34 -0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1j3b n PRO 476 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3b n GLY 477 N 1.98 0.44 2.85 0.55 0.00 -1.26 -4.84 105.19 104.91 1j3b n GLY 477 Ca 0.11 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1j3b n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 478 N -1.82 0.29 0.15 1.61 1.01 -0.54 -4.92 120.40 116.17 1j3b s VAL 478 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1j3b s VAL 478 Cb 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 36.38 35.92 1j3b s VAL 478 CO 0.00 0.16 1.80 -2.84 0.00 0.00 0.00 175.10 174.22 1j3b s PRO 479 N 0.88 4.13 0.53 2.72 0.02 -1.26 -4.42 135.00 137.60 1j3b s PRO 479 Ca -0.10 2.60 0.20 0.00 0.02 0.00 0.00 61.00 63.73 1j3b s PRO 479 Cb -0.13 -3.45 1.34 0.00 0.02 0.00 0.00 34.50 32.29 1j3b s PRO 479 CO -0.01 -0.82 2.10 -0.56 -0.33 0.00 0.00 177.00 177.38 1j3b h GLN 480 N 8.10 0.00 -0.99 5.54 -0.00 -1.89 -2.52 115.11 123.35 1j3b h GLN 480 Ca -0.45 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.32 1j3b h GLN 480 Cb 1.21 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.61 1j3b h GLN 480 CO 0.95 0.00 0.61 0.93 -0.00 0.00 0.00 178.83 181.32 1j3b h GLU 481 N 0.00 0.93 0.00 0.06 3.07 -1.92 -2.10 114.58 114.62 1j3b h GLU 481 Ca 0.08 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1j3b h GLU 481 Cb 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1j3b h GLU 481 CO -0.00 0.61 -0.17 -0.07 -1.40 0.00 0.00 179.01 177.98 1j3b h LEU 482 N 0.96 0.00 -1.67 1.33 3.38 -1.84 -3.24 115.31 114.23 1j3b h LEU 482 Ca 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 1j3b h LEU 482 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1j3b h LEU 482 CO -0.27 0.17 -0.12 -0.07 0.09 0.00 0.00 178.44 178.24 1j3b h LEU 483 N 0.00 0.00 -7.51 1.67 3.38 -1.51 -3.38 115.31 107.96 1j3b h LEU 483 Ca -0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1j3b h LEU 483 Cb 0.51 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.88 1j3b h LEU 483 CO 0.02 0.12 -0.51 0.21 0.09 0.00 0.00 178.44 178.37 1j3b s ASN 484 N -5.98 4.84 0.40 -0.43 3.84 -1.22 -4.60 114.94 111.79 1j3b s ASN 484 Ca -0.01 -2.82 0.21 0.00 0.21 0.00 0.00 52.86 50.44 1j3b s ASN 484 Cb 0.11 -1.75 1.17 0.00 -0.55 0.00 0.00 41.25 40.23 1j3b s ASN 484 CO 0.58 -0.32 1.74 1.55 -2.79 0.00 0.00 177.10 177.85 1j3b h PRO 485 N 6.91 0.32 -0.84 0.43 0.13 -1.84 -1.58 132.00 135.53 1j3b h PRO 485 Ca -0.05 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1j3b h PRO 485 Cb 0.94 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 1j3b h PRO 485 CO 0.69 0.21 0.55 -0.09 -0.23 0.00 0.00 178.00 179.14 1j3b h ARG 486 N 0.33 1.09 0.00 0.86 2.43 -1.91 -1.93 114.38 115.26 1j3b h ARG 486 Ca 0.65 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1j3b h ARG 486 Cb 1.73 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1j3b h ARG 486 CO -0.33 0.72 0.00 0.39 -1.51 0.00 0.00 179.97 179.24 1j3b n GLU 487 N -4.51 0.28 0.04 0.20 -0.58 -0.60 -2.66 120.64 112.82 1j3b n GLU 487 Ca 0.09 0.09 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 1j3b n GLU 487 Cb 0.02 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 1j3b n GLU 487 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1j3b n THR 488 N -1.30 0.27 -2.95 2.62 -2.24 -0.73 -4.89 114.28 105.05 1j3b n THR 488 Ca 0.10 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1j3b n THR 488 Cb 0.17 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1j3b n THR 488 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1j3b s TRP 489 N -3.26 3.90 0.09 4.78 0.52 -1.09 -4.25 118.94 119.63 1j3b s TRP 489 Ca 0.02 1.66 -0.20 0.00 0.02 0.00 0.00 56.10 57.60 1j3b s TRP 489 Cb 0.13 -2.79 -0.09 0.00 -1.15 0.00 0.00 33.47 29.57 1j3b s TRP 489 CO 0.80 0.49 1.60 0.00 0.02 0.00 0.00 176.95 179.86 1j3b h ALA 490 N 4.22 0.26 -2.64 0.98 0.00 -1.88 -3.38 119.26 116.83 1j3b h ALA 490 Ca -0.47 -0.14 -0.72 0.00 0.00 0.00 0.00 54.91 53.58 1j3b h ALA 490 Cb 1.20 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1j3b h ALA 490 CO 0.66 -0.11 -0.43 0.34 0.00 0.00 0.00 179.25 179.71 1j3b s ASP 491 N -5.67 5.82 0.53 0.00 3.68 -1.26 -4.95 116.67 114.82 1j3b s ASP 491 Ca -0.14 -1.37 0.31 0.00 2.13 0.00 0.00 52.55 53.49 1j3b s ASP 491 Cb 0.07 -2.06 1.36 0.00 -1.45 0.00 0.00 42.92 40.84 1j3b s ASP 491 CO 0.71 -0.55 1.99 0.11 0.13 0.00 0.00 175.17 177.56 1j3b h LYS 492 N 8.52 0.00 0.03 4.34 1.57 -1.85 -2.05 116.57 127.13 1j3b h LYS 492 Ca -0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 1j3b h LYS 492 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1j3b h LYS 492 CO 0.78 0.07 -1.02 0.93 -0.57 0.00 0.00 179.45 179.65 1j3b h GLU 493 N 0.00 0.42 -0.08 3.15 4.39 -1.96 -2.31 114.58 118.19 1j3b h GLU 493 Ca -0.00 -0.49 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 1j3b h GLU 493 Cb 0.50 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1j3b h GLU 493 CO 0.01 1.16 -0.33 0.00 -1.16 0.00 0.00 179.01 178.69 1j3b h ALA 494 N 0.66 1.30 0.12 3.43 0.00 -1.84 -2.48 119.26 120.47 1j3b h ALA 494 Ca -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1j3b h ALA 494 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1j3b h ALA 494 CO 0.18 0.49 -0.06 -0.92 0.00 0.00 0.00 179.25 178.94 1j3b h TYR 495 N 0.14 -0.15 -0.98 0.00 5.03 -1.22 -1.76 116.97 118.03 1j3b h TYR 495 Ca 0.02 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.46 1j3b h TYR 495 Cb 0.65 0.05 -0.09 0.00 1.55 0.00 0.00 36.73 38.89 1j3b h TYR 495 CO 0.01 0.18 0.62 -0.44 -1.32 0.00 0.00 178.16 177.21 1j3b h ASP 496 N -0.49 0.84 -0.35 -2.11 3.32 -1.25 0.35 116.42 116.72 1j3b h ASP 496 Ca -0.02 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1j3b h ASP 496 Cb 0.40 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1j3b h ASP 496 CO 0.03 0.41 -0.15 1.56 -1.72 0.00 0.00 179.24 179.36 1j3b h GLN 497 N 0.88 0.81 -0.30 3.56 1.08 -1.35 -2.02 115.11 117.78 1j3b h GLN 497 Ca 0.51 -0.30 -0.17 0.00 -1.45 0.00 0.00 58.65 57.24 1j3b h GLN 497 Cb 0.63 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1j3b h GLN 497 CO -0.28 0.92 -0.47 0.37 -0.95 0.00 0.00 178.83 178.42 1j3b h GLN 498 N 0.73 0.81 -0.53 1.46 5.75 0.02 -2.38 115.11 120.97 1j3b h GLN 498 Ca 0.11 -0.47 -0.06 0.00 -0.15 0.00 0.00 58.65 58.08 1j3b h GLN 498 Cb 0.66 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1j3b h GLN 498 CO 0.05 1.11 0.08 0.00 -2.65 0.00 0.00 178.83 177.41 1j3b h ALA 499 N 0.81 1.14 -0.30 3.38 0.00 -0.27 -2.12 119.26 121.91 1j3b h ALA 499 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1j3b h ALA 499 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1j3b h ALA 499 CO 0.10 0.57 -0.53 0.00 0.00 0.00 0.00 179.25 179.39 1j3b h ARG 500 N 0.80 0.89 -0.43 0.00 3.08 -1.30 -1.03 114.38 116.39 1j3b h ARG 500 Ca 0.17 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.69 1j3b h ARG 500 Cb 0.37 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1j3b h ARG 500 CO 0.01 1.19 0.24 -0.22 -1.07 0.00 0.00 179.97 180.12 1j3b h LYS 501 N 0.68 0.46 -0.51 0.04 3.64 -1.19 0.23 116.57 119.92 1j3b h LYS 501 Ca 0.02 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1j3b h LYS 501 Cb 1.14 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1j3b h LYS 501 CO 0.12 0.31 -0.09 1.25 -2.27 0.00 0.00 179.45 178.76 1j3b h LEU 502 N 0.48 0.97 -0.95 5.20 5.85 -1.33 -2.45 115.31 123.08 1j3b h LEU 502 Ca 0.18 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1j3b h LEU 502 Cb 0.04 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 1j3b h LEU 502 CO -0.10 1.09 0.62 0.00 -0.34 0.00 0.00 178.44 179.71 1j3b h ALA 503 N 0.91 1.26 -0.64 1.25 0.00 -0.70 -1.21 119.26 120.13 1j3b h ALA 503 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1j3b h ALA 503 Cb 0.65 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1j3b h ALA 503 CO 0.05 0.49 0.14 0.00 0.00 0.00 0.00 179.25 179.93 1j3b h ARG 504 N 1.20 1.02 -0.51 0.00 3.08 -0.73 -1.48 114.38 116.95 1j3b h ARG 504 Ca 0.38 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1j3b h ARG 504 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1j3b h ARG 504 CO -0.12 0.91 0.17 -0.07 -1.07 0.00 0.00 179.97 179.79 1j3b h LEU 505 N 0.97 0.73 -0.08 3.04 3.38 -0.85 -0.84 115.31 121.66 1j3b h LEU 505 Ca 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1j3b h LEU 505 Cb 0.36 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1j3b h LEU 505 CO 0.00 0.73 0.05 -0.26 0.09 0.00 0.00 178.44 179.06 1j3b h PHE 506 N 0.70 0.10 -0.63 1.13 -1.00 -0.93 -1.75 116.94 114.57 1j3b h PHE 506 Ca 0.17 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.88 1j3b h PHE 506 Cb 0.25 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1j3b h PHE 506 CO 0.01 0.07 0.11 1.96 -1.61 0.00 0.00 178.31 178.85 1j3b h GLN 507 N 0.10 1.02 -0.68 1.51 1.08 -1.16 0.32 115.11 117.31 1j3b h GLN 507 Ca 0.03 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1j3b h GLN 507 Cb -0.00 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1j3b h GLN 507 CO -0.01 0.93 0.18 0.93 -0.95 0.00 0.00 178.83 179.92 1j3b h GLU 508 N 0.96 1.08 -0.45 1.46 5.08 -1.06 -2.63 114.58 119.03 1j3b h GLU 508 Ca 0.20 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1j3b h GLU 508 Cb 0.41 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1j3b h GLU 508 CO 0.01 0.95 -0.12 -0.97 -1.00 0.00 0.00 179.01 177.88 1j3b h ASN 509 N 1.01 0.88 0.65 1.42 -1.24 -0.93 -3.14 115.58 114.24 1j3b h ASN 509 Ca 0.22 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 1j3b h ASN 509 Cb 0.34 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 1j3b h ASN 509 CO -0.00 1.05 -0.00 0.15 -1.29 0.00 0.00 177.43 177.33 1j3b h PHE 510 N 0.71 0.00 -0.97 0.67 3.57 -0.74 -3.13 116.94 117.05 1j3b h PHE 510 Ca 0.11 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.84 1j3b h PHE 510 Cb 0.67 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 1j3b h PHE 510 CO 0.05 0.00 0.63 0.37 -2.23 0.00 0.00 178.31 177.13 1j3b h GLN 511 N 0.00 0.44 -0.35 1.11 4.15 -1.42 0.24 115.11 119.29 1j3b h GLN 511 Ca -0.00 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1j3b h GLN 511 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1j3b h GLN 511 CO 0.00 0.29 0.24 0.87 -1.93 0.00 0.00 178.83 178.30 1j3b h LYS 512 N 0.46 0.30 0.00 1.69 1.57 -1.77 -3.22 116.57 115.59 1j3b h LYS 512 Ca 0.53 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 1j3b h LYS 512 Cb 1.26 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1j3b h LYS 512 CO -0.25 0.20 -1.70 0.66 -0.57 0.00 0.00 179.45 177.79 1j3b n TYR 513 N -4.48 0.00 -0.40 -1.35 4.01 -0.04 -4.77 117.16 110.12 1j3b n TYR 513 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1j3b n TYR 513 Cb 0.20 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.81 1j3b n TYR 513 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j3b h ALA 514 N 1.29 -0.31 0.00 -0.72 0.00 -1.25 0.22 119.26 118.49 1j3b h ALA 514 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j3b h ALA 514 Cb 0.77 1.25 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1j3b h ALA 514 CO 0.00 -0.85 0.00 -1.13 0.00 0.00 0.00 179.25 177.27 1j3b n SER 515 N -5.33 0.00 -0.21 0.00 3.41 -1.26 -2.44 113.62 107.79 1j3b n SER 515 Ca 0.05 -0.48 0.10 0.00 -0.26 0.00 0.00 58.87 58.27 1j3b n SER 515 Cb 0.31 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1j3b n SER 515 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3b n GLY 516 N -0.09 -0.50 3.26 5.00 0.00 0.78 -4.99 105.19 108.66 1j3b n GLY 516 Ca 0.10 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1j3b n GLY 516 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3b s VAL 517 N -2.68 0.56 0.21 1.61 -7.23 -1.02 -4.95 120.40 106.89 1j3b s VAL 517 Ca 0.12 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 1j3b s VAL 517 Cb 0.16 -2.33 -0.16 0.00 0.56 0.00 0.00 36.38 34.61 1j3b s VAL 517 CO 0.70 -0.27 0.89 0.00 -0.31 0.00 0.00 175.10 176.12 1j3b n ALA 518 N -0.32 -1.50 0.31 1.32 0.00 -1.26 -4.81 120.51 114.25 1j3b n ALA 518 Ca -0.03 0.44 0.17 0.00 0.00 0.00 0.00 53.44 54.02 1j3b n ALA 518 Cb 0.65 -1.87 0.99 0.00 0.00 0.00 0.00 19.45 19.22 1j3b n ALA 518 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1j3b h LYS 519 N 2.09 0.00 0.00 0.00 2.10 -1.99 -0.36 116.57 118.42 1j3b h LYS 519 Ca -0.38 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 1j3b h LYS 519 Cb 1.38 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1j3b h LYS 519 CO 0.62 0.00 -0.05 0.93 -2.00 0.00 0.00 179.45 178.95 1j3b h GLU 520 N 0.00 0.00 -0.03 0.07 3.07 -1.98 -1.99 114.58 113.72 1j3b h GLU 520 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1j3b h GLU 520 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1j3b h GLU 520 CO -0.00 0.05 -0.12 0.28 -1.40 0.00 0.00 179.01 177.82 1j3b h VAL 521 N 0.00 1.48 0.00 3.13 2.07 -1.34 -2.20 116.25 119.39 1j3b h VAL 521 Ca -0.00 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1j3b h VAL 521 Cb 0.21 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1j3b h VAL 521 CO 0.01 0.43 -0.18 0.00 0.02 0.00 0.00 177.57 177.85 1j3b h ALA 522 N 0.39 1.36 0.00 1.67 0.00 -1.60 -1.28 119.26 119.79 1j3b h ALA 522 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1j3b h ALA 522 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1j3b h ALA 522 CO 0.02 0.23 -0.30 1.49 0.00 0.00 0.00 179.25 180.69 1j3b h GLU 523 N 0.00 0.00 -0.00 0.00 4.81 -1.27 -2.71 114.58 115.40 1j3b h GLU 523 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j3b h GLU 523 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1j3b h GLU 523 CO 0.02 0.30 -0.07 0.00 -0.73 0.00 0.00 179.01 178.53 1j3b n ALA 524 N -2.25 2.72 -1.00 2.92 0.00 -0.49 -4.90 120.51 117.52 1j3b n ALA 524 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1j3b n ALA 524 Cb 0.49 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.80 1j3b n ALA 524 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j3b s GLY 525 N -2.34 1.55 0.88 0.00 0.00 -1.03 -4.84 107.32 101.56 1j3b s GLY 525 Ca 0.33 -0.41 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 1j3b s GLY 525 CO 0.44 0.28 1.09 2.56 0.00 0.00 0.00 173.10 177.47 1j3b s PRO 526 N -4.90 1.35 -0.19 2.90 0.04 -1.26 -4.88 135.00 128.07 1j3b s PRO 526 Ca 0.67 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 1j3b s PRO 526 Cb -0.19 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1j3b s PRO 526 CO 0.59 -2.17 0.28 -0.98 0.04 0.00 0.00 177.00 174.76 1j3b s ARG 527 N -4.96 4.20 0.00 4.56 1.70 -0.15 -4.95 118.95 119.34 1j3b s ARG 527 Ca 0.63 0.02 0.22 0.00 -0.47 0.00 0.00 55.73 56.14 1j3b s ARG 527 Cb -0.18 -3.47 0.82 0.00 -0.57 0.00 0.00 34.95 31.55 1j3b s ARG 527 CO 0.57 0.14 1.59 0.25 -1.08 0.00 0.00 175.30 176.77 1j3b n THR 528 N 3.90 0.17 -0.67 4.99 -2.24 -1.26 -4.86 114.28 114.30 1j3b n THR 528 Ca -0.12 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1j3b n THR 528 Cb 0.52 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1j3b n THR 528 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66