#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnj s VAL 35 N 0.00 3.75 0.80 1.59 1.01 -1.26 -5.01 120.40 121.28 1xnj s VAL 35 Ca 0.00 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.64 1xnj s VAL 35 Cb 0.00 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1xnj s VAL 35 CO 0.00 0.42 1.09 -0.94 0.00 0.00 0.00 175.10 175.67 1xnj s SER 36 N -1.01 4.25 0.21 3.32 1.04 -1.26 -4.82 113.70 115.43 1xnj s SER 36 Ca 0.43 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 58.46 1xnj s SER 36 Cb -0.29 -2.40 0.16 0.00 0.10 0.00 0.00 66.02 63.58 1xnj s SER 36 CO 0.37 -2.18 1.86 0.03 0.98 0.00 0.00 173.24 174.30 1xnj h ARG 37 N -1.23 1.05 0.00 4.02 3.08 -1.95 -0.95 114.38 118.40 1xnj h ARG 37 Ca -0.45 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 1xnj h ARG 37 Cb 1.25 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1xnj h ARG 37 CO 0.53 0.73 -0.09 -0.97 -1.07 0.00 0.00 179.97 179.10 1xnj h ASN 38 N 1.06 0.00 0.13 7.04 -0.73 -1.98 0.74 115.58 121.84 1xnj h ASN 38 Ca 0.28 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.18 1xnj h ASN 38 Cb -0.05 0.00 0.03 0.00 0.27 0.00 0.00 38.32 38.57 1xnj h ASN 38 CO -0.05 0.09 -1.15 0.11 -0.37 0.00 0.00 177.43 176.06 1xnj h LYS 39 N 0.00 0.54 -0.59 6.67 1.57 -1.84 -3.18 116.57 119.74 1xnj h LYS 39 Ca -0.00 -0.76 -0.01 0.00 -1.87 0.00 0.00 60.65 58.01 1xnj h LYS 39 Cb 0.68 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1xnj h LYS 39 CO 0.01 1.34 0.33 0.00 -0.57 0.00 0.00 179.45 180.56 1xnj h ARG 40 N 0.11 0.80 0.00 3.15 3.08 -0.16 -2.66 114.38 118.71 1xnj h ARG 40 Ca -0.18 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xnj h ARG 40 Cb 1.85 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 1xnj h ARG 40 CO 0.22 0.59 -0.01 0.78 -1.07 0.00 0.00 179.97 180.48 1xnj h GLY 41 N 0.87 0.00 1.97 0.04 0.00 0.47 -1.77 103.07 104.65 1xnj h GLY 41 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 1xnj h GLY 41 CO -0.04 0.00 -0.76 1.46 0.00 0.00 0.00 176.54 177.21 1xnj h GLN 42 N 0.00 0.00 0.00 4.80 1.08 -1.47 -3.10 115.11 116.43 1xnj h GLN 42 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xnj h GLN 42 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1xnj h GLN 42 CO 0.00 0.73 -1.62 1.33 -0.95 0.00 0.00 178.83 178.32 1xnj n VAL 43 N -3.27 0.00 -2.05 -0.54 0.24 -0.74 -4.85 118.33 107.11 1xnj n VAL 43 Ca 0.01 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 1xnj n VAL 43 Cb 0.83 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1xnj n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1xnj s VAL 44 N -2.96 3.50 0.21 3.34 1.01 -0.76 -4.85 120.40 119.88 1xnj s VAL 44 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1xnj s VAL 44 Cb 0.09 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1xnj s VAL 44 CO 0.59 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1xnj n GLY 45 N 5.44 -1.98 0.08 4.51 0.00 -1.26 -4.67 105.19 107.31 1xnj n GLY 45 Ca 0.21 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1xnj n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xnj h THR 46 N -0.69 1.22 -3.70 2.61 1.35 -1.89 -3.45 112.91 108.37 1xnj h THR 46 Ca -0.02 -2.96 -0.50 0.00 -0.55 0.00 0.00 66.41 62.38 1xnj h THR 46 Cb 0.68 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.74 1xnj h THR 46 CO 0.02 0.76 0.22 -0.13 -0.25 0.00 0.00 175.52 176.14 1xnj s ARG 47 N -2.64 4.45 0.54 4.72 0.52 -1.26 -5.04 118.95 120.24 1xnj s ARG 47 Ca -0.04 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 1xnj s ARG 47 Cb 0.08 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1xnj s ARG 47 CO 0.83 0.38 0.77 0.20 0.02 0.00 0.00 175.30 177.50 1xnj s GLY 48 N -1.55 1.77 0.00 -3.53 0.00 -1.26 -4.90 107.32 97.85 1xnj s GLY 48 Ca 0.45 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1xnj s GLY 48 CO 0.23 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.97 1xnj n GLY 49 N -2.34 1.91 3.73 0.20 0.00 -1.17 -4.98 105.19 102.54 1xnj n GLY 49 Ca 0.07 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1xnj n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xnj s PHE 50 N -0.99 3.43 0.00 1.61 2.19 -1.26 -4.75 117.98 118.20 1xnj s PHE 50 Ca 0.00 1.38 0.14 0.00 0.33 0.00 0.00 56.93 58.78 1xnj s PHE 50 Cb 0.00 -3.43 0.24 0.00 -1.31 0.00 0.00 43.02 38.51 1xnj s PHE 50 CO 0.00 -1.25 1.08 2.89 1.83 0.00 0.00 175.22 179.77 1xnj n ARG 51 N 2.91 0.00 -1.62 10.12 1.85 -1.26 -4.99 116.66 123.67 1xnj n ARG 51 Ca 0.06 -1.52 -0.44 0.00 -1.00 0.00 0.00 57.85 54.95 1xnj n ARG 51 Cb 0.45 -0.17 -0.01 0.00 -1.05 0.00 0.00 32.46 31.68 1xnj n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xnj n GLY 52 N 0.27 -0.05 3.97 2.89 0.00 -1.25 -4.59 105.19 106.43 1xnj n GLY 52 Ca 0.02 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.38 1xnj n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj s THR 54 N -2.04 0.45 -0.43 0.00 2.01 -0.72 -0.93 115.64 113.98 1xnj s THR 54 Ca 0.28 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 1xnj s THR 54 Cb -0.01 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1xnj s THR 54 CO 0.01 0.25 0.36 -0.69 -0.69 0.00 0.00 174.62 173.87 1xnj s VAL 55 N 1.63 5.20 -0.53 3.82 1.01 0.13 -0.39 120.40 131.27 1xnj s VAL 55 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1xnj s VAL 55 Cb -0.13 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.38 1xnj s VAL 55 CO -0.04 -0.40 0.46 0.86 0.00 0.00 0.00 175.10 175.98 1xnj s TRP 56 N 1.83 3.32 0.11 5.22 -0.11 0.27 -1.29 118.94 128.28 1xnj s TRP 56 Ca 0.07 -1.50 -0.23 0.00 1.22 0.00 0.00 56.10 55.66 1xnj s TRP 56 Cb -0.19 -3.71 -0.07 0.00 -1.50 0.00 0.00 33.47 28.00 1xnj s TRP 56 CO 0.10 -1.01 0.70 -0.51 -4.62 0.00 0.00 176.95 171.62 1xnj s LEU 57 N 1.48 4.55 -0.00 5.86 1.43 0.41 0.77 118.68 133.18 1xnj s LEU 57 Ca 0.04 1.48 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 1xnj s LEU 57 Cb -0.28 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1xnj s LEU 57 CO 0.01 0.20 0.12 0.28 0.23 0.00 0.00 176.35 177.19 1xnj s THR 58 N -0.93 0.08 -5.00 5.49 -1.32 0.20 -3.63 115.64 110.53 1xnj s THR 58 Ca 0.34 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1xnj s THR 58 Cb -0.21 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1xnj s THR 58 CO 0.23 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1xnj n GLY 59 N 1.61 -2.62 3.65 6.08 0.00 -1.16 -0.55 105.19 112.21 1xnj n GLY 59 Ca -0.22 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1xnj n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnj s LEU 60 N 0.00 2.48 0.19 0.99 1.43 -1.26 -4.38 118.68 118.13 1xnj s LEU 60 Ca 0.00 2.00 -0.33 0.00 -1.03 0.00 0.00 54.13 54.78 1xnj s LEU 60 Cb 0.00 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.75 1xnj s LEU 60 CO 0.00 -3.17 1.55 -0.24 0.23 0.00 0.00 176.35 174.72 1xnj n SER 61 N -4.27 3.17 0.00 2.29 2.88 -1.26 -1.47 113.62 114.95 1xnj n SER 61 Ca 0.10 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1xnj n SER 61 Cb 0.53 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1xnj n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnj n GLY 62 N 3.08 0.48 0.22 0.46 0.00 -1.26 -4.80 105.19 103.37 1xnj n GLY 62 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1xnj n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj h ALA 63 N 0.00 1.15 0.00 4.61 0.00 -1.58 -3.44 119.26 119.99 1xnj h ALA 63 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xnj h ALA 63 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xnj h ALA 63 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1xnj n GLY 64 N -0.20 0.80 0.06 0.00 0.00 -1.26 -4.67 105.19 99.92 1xnj n GLY 64 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xnj n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnj h LYS 65 N 0.00 -0.03 -0.24 1.61 1.57 -1.90 -0.44 116.57 117.14 1xnj h LYS 65 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1xnj h LYS 65 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xnj h LYS 65 CO 0.00 0.22 -0.09 1.15 -0.57 0.00 0.00 179.45 180.16 1xnj h THR 66 N -0.28 1.20 0.07 -0.16 2.02 -1.97 -0.84 112.91 112.94 1xnj h THR 66 Ca -0.00 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1xnj h THR 66 Cb 0.26 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1xnj h THR 66 CO 0.00 0.27 -0.03 0.74 0.37 0.00 0.00 175.52 176.88 1xnj h THR 67 N 0.36 1.22 -0.72 3.16 2.02 -1.91 -0.22 112.91 116.82 1xnj h THR 67 Ca 0.07 -1.39 0.13 0.00 0.77 0.00 0.00 66.41 66.00 1xnj h THR 67 Cb 0.39 2.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.78 1xnj h THR 67 CO 0.02 0.32 0.27 0.58 0.37 0.00 0.00 175.52 177.09 1xnj h VAL 68 N -0.76 0.67 -0.35 3.16 2.07 -1.04 -2.44 116.25 117.56 1xnj h VAL 68 Ca -0.01 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1xnj h VAL 68 Cb 0.60 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1xnj h VAL 68 CO 0.02 0.08 -0.27 0.77 0.02 0.00 0.00 177.57 178.18 1xnj h SER 69 N 0.42 0.84 -0.46 0.57 4.64 -0.97 0.21 113.55 118.80 1xnj h SER 69 Ca 0.39 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xnj h SER 69 Cb 0.58 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1xnj h SER 69 CO -0.39 1.11 0.28 0.24 -0.87 0.00 0.00 176.83 177.19 1xnj h MET 70 N 0.58 0.63 -0.29 4.77 2.86 -0.88 -0.88 114.93 121.72 1xnj h MET 70 Ca 0.06 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 1xnj h MET 70 Cb 0.84 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1xnj h MET 70 CO 0.07 0.47 -0.55 0.00 1.06 0.00 0.00 176.91 177.96 1xnj h ALA 71 N 1.13 0.46 -0.08 6.32 0.00 -1.20 -2.40 119.26 123.50 1xnj h ALA 71 Ca 0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xnj h ALA 71 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xnj h ALA 71 CO -0.03 0.68 0.04 1.25 0.00 0.00 0.00 179.25 181.19 1xnj h LEU 72 N 0.68 0.10 -0.42 0.00 5.85 -0.47 -0.75 115.31 120.30 1xnj h LEU 72 Ca 0.01 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1xnj h LEU 72 Cb 1.16 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1xnj h LEU 72 CO 0.12 0.16 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.16 1xnj h GLU 73 N 0.03 -0.05 -0.48 1.25 4.81 -1.21 -0.94 114.58 117.98 1xnj h GLU 73 Ca 0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1xnj h GLU 73 Cb 0.09 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1xnj h GLU 73 CO -0.00 -0.03 0.22 1.49 -0.73 0.00 0.00 179.01 179.95 1xnj h GLU 74 N -0.05 0.42 -0.51 1.92 4.81 -1.31 0.08 114.58 119.94 1xnj h GLU 74 Ca 0.20 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1xnj h GLU 74 Cb 0.37 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1xnj h GLU 74 CO -0.46 0.28 0.12 -0.92 -0.73 0.00 0.00 179.01 177.30 1xnj h TYR 75 N 0.44 0.20 -0.35 0.92 5.03 -0.55 -0.97 116.97 121.68 1xnj h TYR 75 Ca 0.22 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.40 1xnj h TYR 75 Cb 0.16 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 1xnj h TYR 75 CO -0.12 0.01 -0.40 -0.07 -1.32 0.00 0.00 178.16 176.26 1xnj h LEU 76 N 0.26 0.90 -0.15 2.82 3.38 -0.90 -1.67 115.31 119.96 1xnj h LEU 76 Ca 0.26 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1xnj h LEU 76 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xnj h LEU 76 CO -0.32 1.19 -0.16 0.58 0.09 0.00 0.00 178.44 179.82 1xnj h VAL 77 N 0.69 1.35 -0.90 1.22 2.07 -0.81 -0.82 116.25 119.05 1xnj h VAL 77 Ca 0.05 -1.33 0.25 0.00 0.82 0.00 0.00 66.70 66.50 1xnj h VAL 77 Cb 0.98 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 1xnj h VAL 77 CO 0.09 0.39 0.64 0.00 0.02 0.00 0.00 177.57 178.71 1xnj n HIS 79 N -4.32 2.76 -1.65 0.00 -0.00 -0.64 -4.96 115.22 106.41 1xnj n HIS 79 Ca 0.19 -1.58 -0.12 0.00 -0.00 0.00 0.00 57.72 56.20 1xnj n HIS 79 Cb 0.92 -0.84 -0.04 0.00 -0.00 0.00 0.00 29.99 30.03 1xnj n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xnj n GLY 80 N -0.76 0.85 3.08 -1.41 0.00 -0.45 -4.99 105.19 101.51 1xnj n GLY 80 Ca 0.51 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1xnj n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnj s ILE 81 N -2.51 3.01 0.25 -0.61 1.01 -0.37 -3.98 121.20 117.99 1xnj s ILE 81 Ca 0.00 -2.27 -0.31 0.00 0.00 0.00 0.00 60.65 58.07 1xnj s ILE 81 Cb 0.00 -3.09 -0.14 0.00 0.01 0.00 0.00 42.46 39.24 1xnj s ILE 81 CO 0.00 -0.69 1.31 -2.65 0.00 0.00 0.00 174.94 172.92 1xnj n PRO 82 N 4.34 1.87 -3.97 2.79 -0.02 -1.26 -3.96 135.00 134.78 1xnj n PRO 82 Ca 0.01 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1xnj n PRO 82 Cb 0.41 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 1xnj n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnj s TYR 84 N -3.98 -0.40 -0.18 0.00 5.04 0.13 -4.86 117.35 113.09 1xnj s TYR 84 Ca 0.19 0.95 -0.07 0.00 -2.44 0.00 0.00 57.07 55.69 1xnj s TYR 84 Cb 0.03 0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.44 1xnj s TYR 84 CO 0.02 -0.24 0.06 0.99 -1.34 0.00 0.00 175.55 175.04 1xnj s THR 85 N -0.01 4.76 -0.22 4.34 2.01 -1.26 -0.53 115.64 124.73 1xnj s THR 85 Ca -0.02 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1xnj s THR 85 Cb -0.03 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1xnj s THR 85 CO 0.01 0.46 0.08 -0.76 -0.69 0.00 0.00 174.62 173.71 1xnj s LEU 86 N 0.42 3.65 0.00 4.42 1.43 0.44 -4.92 118.68 124.12 1xnj s LEU 86 Ca 0.03 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1xnj s LEU 86 Cb -0.13 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1xnj s LEU 86 CO 0.00 0.06 0.15 -0.90 0.23 0.00 0.00 176.35 175.90 1xnj n ASP 87 N 4.31 -0.42 -0.28 2.29 5.68 -1.26 -1.19 116.55 125.68 1xnj n ASP 87 Ca -0.16 -1.66 0.02 0.00 -0.50 0.00 0.00 54.79 52.49 1xnj n ASP 87 Cb 0.52 0.81 0.16 0.00 -1.14 0.00 0.00 41.12 41.47 1xnj n ASP 87 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xnj h GLY 88 N 0.67 1.24 0.70 6.12 0.00 -1.98 0.86 103.07 110.69 1xnj h GLY 88 Ca -0.09 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.01 1xnj h GLY 88 CO 0.12 0.12 0.63 -0.55 0.00 0.00 0.00 176.54 176.87 1xnj h ASP 89 N 0.77 1.01 0.00 0.19 3.32 -1.96 -2.38 116.42 117.36 1xnj h ASP 89 Ca 0.39 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 57.16 1xnj h ASP 89 Cb 0.35 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1xnj h ASP 89 CO -0.25 0.63 -2.09 -0.46 -1.72 0.00 0.00 179.24 175.36 1xnj n ASN 90 N -4.53 1.16 -0.07 6.45 6.94 -1.05 -4.47 115.26 119.70 1xnj n ASN 90 Ca 0.16 -0.01 -0.07 0.00 -0.02 0.00 0.00 54.58 54.64 1xnj n ASN 90 Cb 0.20 0.83 -0.04 0.00 -2.36 0.00 0.00 39.78 38.41 1xnj n ASN 90 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1xnj h ILE 91 N 0.00 0.48 0.00 1.53 1.08 -0.86 -3.33 117.51 116.41 1xnj h ILE 91 Ca -0.43 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 1xnj h ILE 91 Cb 1.96 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1xnj h ILE 91 CO 0.02 0.16 0.00 0.03 -0.69 0.00 0.00 178.15 177.67 1xnj h ARG 92 N -1.00 0.00 -0.02 2.37 3.08 -1.58 -0.66 114.38 116.58 1xnj h ARG 92 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xnj h ARG 92 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1xnj h ARG 92 CO -0.02 0.00 -0.18 1.04 -1.07 0.00 0.00 179.97 179.73 1xnj n GLN 93 N -2.35 1.68 0.00 0.04 6.02 -1.21 -2.25 117.38 119.31 1xnj n GLN 93 Ca 0.02 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.71 1xnj n GLN 93 Cb 0.24 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1xnj n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xnj n GLY 94 N 1.34 0.45 0.34 1.08 0.00 -0.40 -4.75 105.19 103.25 1xnj n GLY 94 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1xnj n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xnj h LEU 95 N 0.00 0.20 -2.97 0.99 5.85 -1.66 -2.59 115.31 115.13 1xnj h LEU 95 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xnj h LEU 95 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xnj h LEU 95 CO 0.00 0.13 -0.29 0.59 -0.34 0.00 0.00 178.44 178.52 1xnj n ASN 96 N -4.46 1.93 0.17 1.25 5.03 -0.39 -4.64 115.26 114.15 1xnj n ASN 96 Ca 0.06 -3.43 0.04 0.00 0.87 0.00 0.00 54.58 52.12 1xnj n ASN 96 Cb 0.34 -0.47 0.47 0.00 -1.02 0.00 0.00 39.78 39.10 1xnj n ASN 96 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1xnj h LYS 97 N 0.53 0.13 -0.90 3.52 2.10 -1.03 -2.49 116.57 118.42 1xnj h LYS 97 Ca -0.01 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1xnj h LYS 97 Cb 1.04 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1xnj h LYS 97 CO 0.00 0.25 0.04 0.27 -2.00 0.00 0.00 179.45 178.00 1xnj n ASN 98 N -4.34 2.52 -4.34 7.07 0.23 -1.26 -4.81 115.26 110.32 1xnj n ASN 98 Ca -0.01 -2.30 -0.27 0.00 -0.53 0.00 0.00 54.58 51.47 1xnj n ASN 98 Cb 0.22 -0.56 -0.13 0.00 -2.08 0.00 0.00 39.78 37.23 1xnj n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xnj s LEU 99 N -0.81 2.31 0.00 -4.53 1.43 -0.94 -5.13 118.68 111.01 1xnj s LEU 99 Ca 0.16 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1xnj s LEU 99 Cb 0.12 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1xnj s LEU 99 CO 0.04 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1xnj n GLY 100 N 1.00 2.73 0.04 -3.19 0.00 -1.26 -5.07 105.19 99.43 1xnj n GLY 100 Ca -0.19 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.01 1xnj n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xnj n PHE 101 N 0.00 0.00 -1.09 1.61 3.01 -1.26 -3.82 117.46 115.91 1xnj n PHE 101 Ca 0.00 -0.56 -0.41 0.00 1.01 0.00 0.00 57.45 57.50 1xnj n PHE 101 Cb 0.00 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.32 1xnj n PHE 101 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1xnj n SER 102 N -0.67 2.07 0.00 4.37 7.64 -1.26 -4.72 113.62 121.05 1xnj n SER 102 Ca 0.04 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1xnj n SER 102 Cb 0.40 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1xnj n SER 102 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xnj n PRO 103 N 7.50 0.00 -0.07 1.43 -0.02 -1.26 -2.46 135.00 140.13 1xnj n PRO 103 Ca 0.48 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1xnj n PRO 103 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.84 1xnj n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xnj h GLU 104 N 0.00 0.50 -0.41 -0.52 3.07 -1.97 -3.09 114.58 112.16 1xnj h GLU 104 Ca 0.00 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1xnj h GLU 104 Cb 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1xnj h GLU 104 CO 0.00 0.83 0.25 -0.44 -1.40 0.00 0.00 179.01 178.25 1xnj h ASP 105 N 0.18 0.50 -0.74 1.42 5.19 -1.77 -1.49 116.42 119.71 1xnj h ASP 105 Ca 0.04 -0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1xnj h ASP 105 Cb 0.73 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.07 1xnj h ASP 105 CO 0.05 0.41 0.48 -0.09 -3.12 0.00 0.00 179.24 176.97 1xnj h ARG 106 N 0.54 0.76 -0.05 3.56 9.65 -1.71 0.84 114.38 127.97 1xnj h ARG 106 Ca 0.15 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1xnj h ARG 106 Cb 0.00 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.41 1xnj h ARG 106 CO -0.03 0.50 -0.00 1.49 2.80 0.00 0.00 179.97 184.73 1xnj h GLU 107 N 0.78 0.10 -0.62 0.20 4.81 -1.40 -2.08 114.58 116.36 1xnj h GLU 107 Ca 0.32 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1xnj h GLU 107 Cb 0.24 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1xnj h GLU 107 CO -0.11 0.40 0.15 1.49 -0.73 0.00 0.00 179.01 180.21 1xnj h GLU 108 N -0.22 0.97 0.04 1.92 4.57 -0.35 -0.75 114.58 120.77 1xnj h GLU 108 Ca 0.01 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1xnj h GLU 108 Cb 0.36 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1xnj h GLU 108 CO 0.00 0.86 -0.22 -0.97 -1.18 0.00 0.00 179.01 177.51 1xnj h ASN 109 N 0.93 -0.65 -0.88 1.04 -0.00 0.70 0.72 115.58 117.43 1xnj h ASN 109 Ca 0.20 0.07 0.14 0.00 -0.00 0.00 0.00 56.30 56.71 1xnj h ASN 109 Cb 0.33 0.24 -0.09 0.00 -0.00 0.00 0.00 38.32 38.80 1xnj h ASN 109 CO -0.00 -0.22 0.49 0.58 -0.00 0.00 0.00 177.43 178.27 1xnj h VAL 110 N -0.30 0.77 0.04 2.57 2.07 -1.32 -0.91 116.25 119.17 1xnj h VAL 110 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xnj h VAL 110 Cb 0.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1xnj h VAL 110 CO -0.12 0.13 -0.02 -0.09 0.02 0.00 0.00 177.57 177.49 1xnj h ARG 111 N 0.71 -0.05 -0.90 1.57 2.43 -0.73 0.52 114.38 117.92 1xnj h ARG 111 Ca 0.47 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1xnj h ARG 111 Cb 0.63 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1xnj h ARG 111 CO -0.34 0.02 0.60 0.00 -1.51 0.00 0.00 179.97 178.74 1xnj h ARG 112 N -0.10 1.19 -0.41 0.20 3.08 -0.49 -1.60 114.38 116.24 1xnj h ARG 112 Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1xnj h ARG 112 Cb 0.09 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1xnj h ARG 112 CO 0.01 0.78 0.21 0.82 -1.07 0.00 0.00 179.97 180.72 1xnj h ILE 113 N 1.22 1.17 -0.46 2.04 2.04 -0.85 -0.93 117.51 121.74 1xnj h ILE 113 Ca 0.33 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1xnj h ILE 113 Cb -0.14 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1xnj h ILE 113 CO -0.07 0.18 0.03 0.00 0.00 0.00 0.00 178.15 178.29 1xnj h ALA 114 N 1.05 1.19 -0.21 1.87 0.00 0.17 0.44 119.26 123.77 1xnj h ALA 114 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1xnj h ALA 114 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xnj h ALA 114 CO -0.02 0.53 -0.19 0.93 0.00 0.00 0.00 179.25 180.51 1xnj h GLU 115 N 0.70 0.50 -0.42 0.00 4.39 -0.99 -1.22 114.58 117.54 1xnj h GLU 115 Ca 0.14 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1xnj h GLU 115 Cb 0.38 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1xnj h GLU 115 CO 0.01 0.83 0.25 0.28 -1.16 0.00 0.00 179.01 179.22 1xnj h VAL 116 N 0.18 1.05 -0.88 3.13 2.07 -0.70 -2.07 116.25 119.03 1xnj h VAL 116 Ca 0.04 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1xnj h VAL 116 Cb 0.73 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1xnj h VAL 116 CO 0.05 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.30 1xnj h ALA 117 N 1.19 1.59 -0.42 1.67 0.00 0.05 0.91 119.26 124.24 1xnj h ALA 117 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1xnj h ALA 117 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xnj h ALA 117 CO -0.07 0.26 -0.09 -0.22 0.00 0.00 0.00 179.25 179.12 1xnj h LYS 118 N 0.94 0.73 -0.40 0.00 3.64 -0.56 -0.20 116.57 120.72 1xnj h LYS 118 Ca 0.39 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1xnj h LYS 118 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1xnj h LYS 118 CO -0.15 0.80 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.51 1xnj h LEU 119 N 0.67 0.83 -0.36 5.20 3.38 -0.34 -0.94 115.31 123.75 1xnj h LEU 119 Ca 0.12 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1xnj h LEU 119 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xnj h LEU 119 CO 0.03 1.04 0.10 -0.26 0.09 0.00 0.00 178.44 179.44 1xnj h PHE 120 N 0.70 0.60 -0.79 1.13 0.04 -0.84 -1.27 116.94 116.51 1xnj h PHE 120 Ca 0.09 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1xnj h PHE 120 Cb 0.78 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 1xnj h PHE 120 CO 0.04 0.59 0.46 0.00 -0.60 0.00 0.00 178.31 178.81 1xnj h ALA 121 N 0.94 1.00 -0.35 2.45 0.00 -0.98 -1.57 119.26 120.75 1xnj h ALA 121 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xnj h ALA 121 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xnj h ALA 121 CO -0.00 0.48 0.09 0.22 0.00 0.00 0.00 179.25 180.04 1xnj h ASP 122 N 1.08 0.46 0.73 0.00 3.58 -0.66 0.41 116.42 122.02 1xnj h ASP 122 Ca 0.28 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1xnj h ASP 122 Cb -0.02 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1xnj h ASP 122 CO -0.05 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.78 1xnj n ALA 123 N -2.48 1.91 0.00 -0.78 0.00 -0.53 -4.88 120.51 113.75 1xnj n ALA 123 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xnj n ALA 123 Cb 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1xnj n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 124 N 0.55 0.99 3.89 0.00 0.00 0.13 -4.89 105.19 105.86 1xnj n GLY 124 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1xnj n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnj s LEU 125 N 0.00 3.92 -0.27 0.99 1.02 -0.63 -3.84 118.68 119.87 1xnj s LEU 125 Ca 0.00 0.89 -0.28 0.00 0.02 0.00 0.00 54.13 54.76 1xnj s LEU 125 Cb 0.00 -3.75 0.01 0.00 0.02 0.00 0.00 46.19 42.47 1xnj s LEU 125 CO 0.00 -0.32 1.00 -0.69 0.02 0.00 0.00 176.35 176.36 1xnj s VAL 126 N -2.28 4.65 -0.22 -1.59 1.01 -0.87 -1.79 120.40 119.32 1xnj s VAL 126 Ca 0.47 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 64.16 1xnj s VAL 126 Cb -0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1xnj s VAL 126 CO 0.32 -0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.26 1xnj s ILE 128 N 0.83 3.57 -0.06 0.00 1.01 0.31 0.17 121.20 127.03 1xnj s ILE 128 Ca 0.05 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1xnj s ILE 128 Cb -0.13 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1xnj s ILE 128 CO 0.02 0.48 -0.24 0.42 0.00 0.00 0.00 174.94 175.62 1xnj s THR 129 N 0.61 2.12 -0.54 2.92 -4.23 -0.41 0.17 115.64 116.27 1xnj s THR 129 Ca -0.04 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1xnj s THR 129 Cb -0.15 -1.77 0.15 0.00 1.34 0.00 0.00 72.50 72.08 1xnj s THR 129 CO 0.03 0.57 0.34 -0.55 -0.54 0.00 0.00 174.62 174.47 1xnj s SER 130 N -0.18 3.80 0.03 3.99 0.15 -0.33 -0.44 113.70 120.72 1xnj s SER 130 Ca -0.03 -3.17 -0.01 0.00 0.70 0.00 0.00 55.95 53.44 1xnj s SER 130 Cb -0.14 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 1xnj s SER 130 CO 0.04 -0.18 -0.02 -0.36 1.20 0.00 0.00 173.24 173.91 1xnj s PHE 131 N -0.41 0.36 0.19 3.44 0.40 -1.24 -4.28 117.98 116.44 1xnj s PHE 131 Ca 0.22 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1xnj s PHE 131 Cb -0.13 -0.26 0.18 0.00 0.51 0.00 0.00 43.02 43.31 1xnj s PHE 131 CO -0.09 -0.27 1.75 0.82 0.70 0.00 0.00 175.22 178.13 1xnj h ILE 132 N 4.03 0.84 -6.40 0.64 2.04 -1.85 -3.37 117.51 113.44 1xnj h ILE 132 Ca -0.33 -0.13 -0.41 0.00 1.00 0.00 0.00 64.86 64.99 1xnj h ILE 132 Cb 1.18 0.43 0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1xnj h ILE 132 CO 0.51 0.07 -0.85 -1.54 0.00 0.00 0.00 178.15 176.34 1xnj n SER 133 N -4.99 -5.38 -0.01 1.72 3.41 -1.26 -2.97 113.62 104.15 1xnj n SER 133 Ca 0.05 -0.89 0.14 0.00 -0.26 0.00 0.00 58.87 57.92 1xnj n SER 133 Cb 0.20 -2.78 0.66 0.00 -0.26 0.00 0.00 64.21 62.03 1xnj n SER 133 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xnj n PRO 134 N -3.35 0.21 -3.64 4.33 -0.04 -1.26 -4.80 135.00 126.46 1xnj n PRO 134 Ca -0.17 -0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1xnj n PRO 134 Cb 0.61 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1xnj n PRO 134 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xnj s TYR 135 N -2.80 3.34 0.51 0.54 1.51 -1.26 -1.89 117.35 117.30 1xnj s TYR 135 Ca 0.20 0.29 0.22 0.00 -1.01 0.00 0.00 57.07 56.77 1xnj s TYR 135 Cb 0.19 -2.29 1.32 0.00 -0.11 0.00 0.00 41.96 41.07 1xnj s TYR 135 CO 0.51 0.09 2.01 1.15 -1.11 0.00 0.00 175.55 178.20 1xnj h THR 136 N 4.97 0.80 0.07 -0.71 2.02 -1.87 -1.24 112.91 116.95 1xnj h THR 136 Ca -0.38 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 1xnj h THR 136 Cb 1.17 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1xnj h THR 136 CO 0.68 0.01 -0.50 -0.61 0.37 0.00 0.00 175.52 175.47 1xnj h GLN 137 N 0.07 0.16 -0.08 6.66 4.15 -1.98 -2.12 115.11 121.97 1xnj h GLN 137 Ca 0.22 -0.27 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1xnj h GLN 137 Cb 0.80 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 1xnj h GLN 137 CO -0.02 1.13 -0.07 -0.44 -1.93 0.00 0.00 178.83 177.50 1xnj h ASP 138 N -0.66 -0.21 -0.77 -0.69 3.45 -1.92 -1.13 116.42 114.48 1xnj h ASP 138 Ca -0.09 0.05 0.11 0.00 0.43 0.00 0.00 57.03 57.52 1xnj h ASP 138 Cb 1.36 0.11 -0.08 0.00 -0.56 0.00 0.00 39.33 40.16 1xnj h ASP 138 CO 0.07 -0.10 0.39 0.03 -1.57 0.00 0.00 179.24 178.06 1xnj h ARG 139 N -0.08 0.60 -0.25 3.56 3.08 -1.32 -0.88 114.38 119.09 1xnj h ARG 139 Ca 0.06 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1xnj h ARG 139 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xnj h ARG 139 CO -0.13 0.40 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.15 1xnj h ASN 140 N 0.62 0.38 -0.71 7.04 2.35 -1.20 0.68 115.58 124.74 1xnj h ASN 140 Ca 0.39 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1xnj h ASN 140 Cb 0.47 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1xnj h ASN 140 CO -0.31 0.53 0.22 -1.13 -1.65 0.00 0.00 177.43 175.09 1xnj h ASN 141 N 0.38 1.03 -0.29 5.81 -0.73 -0.83 0.13 115.58 121.08 1xnj h ASN 141 Ca 0.07 -0.21 -0.12 0.00 1.87 0.00 0.00 56.30 57.92 1xnj h ASN 141 Cb 0.42 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 1xnj h ASN 141 CO 0.02 0.96 -0.25 0.00 -0.37 0.00 0.00 177.43 177.80 1xnj h ALA 142 N 1.11 0.84 -0.77 1.57 0.00 -0.02 -1.15 119.26 120.84 1xnj h ALA 142 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xnj h ALA 142 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xnj h ALA 142 CO -0.01 0.64 0.46 -0.09 0.00 0.00 0.00 179.25 180.25 1xnj h ARG 143 N 0.67 1.05 -0.05 0.00 2.43 -0.29 -2.87 114.38 115.33 1xnj h ARG 143 Ca 0.09 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1xnj h ARG 143 Cb 0.77 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1xnj h ARG 143 CO 0.06 0.75 -0.67 -0.56 -1.51 0.00 0.00 179.97 178.04 1xnj h GLN 144 N 1.06 0.20 -0.56 0.20 3.07 -0.15 -0.12 115.11 118.82 1xnj h GLN 144 Ca 0.28 -0.16 0.03 0.00 0.09 0.00 0.00 58.65 58.89 1xnj h GLN 144 Cb -0.03 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 1xnj h GLN 144 CO -0.05 0.80 0.37 0.82 0.09 0.00 0.00 178.83 180.86 1xnj h ILE 145 N 0.14 1.06 0.00 1.86 2.04 -1.01 0.23 117.51 121.84 1xnj h ILE 145 Ca -0.01 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1xnj h ILE 145 Cb 1.20 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1xnj h ILE 145 CO 0.10 0.12 -0.51 0.45 0.00 0.00 0.00 178.15 178.31 1xnj h HIS 146 N 0.64 0.00 -0.77 1.37 3.86 -1.37 -3.18 115.15 115.70 1xnj h HIS 146 Ca 0.23 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 1xnj h HIS 146 Cb 0.11 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.51 1xnj h HIS 146 CO -0.00 0.75 0.43 0.93 0.86 0.00 0.00 177.93 180.90 1xnj h GLU 147 N -1.00 0.72 -0.68 2.45 5.08 -0.96 -0.50 114.58 119.69 1xnj h GLU 147 Ca -0.11 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.40 1xnj h GLU 147 Cb 0.80 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1xnj h GLU 147 CO -0.07 0.47 0.49 0.78 -1.00 0.00 0.00 179.01 179.69 1xnj h GLY 148 N 0.74 0.00 -2.05 -3.84 0.00 -1.09 0.47 103.07 97.30 1xnj h GLY 148 Ca 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1xnj h GLY 148 CO -0.23 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.33 1xnj n ALA 149 N -2.66 3.50 -1.61 3.60 0.00 -0.50 -4.97 120.51 117.87 1xnj n ALA 149 Ca 0.13 -2.46 -0.12 0.00 0.00 0.00 0.00 53.44 50.99 1xnj n ALA 149 Cb 0.75 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 1xnj n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xnj n SER 150 N -0.54 -4.29 -4.66 0.00 7.64 0.16 -5.02 113.62 106.91 1xnj n SER 150 Ca 0.27 0.21 -0.36 0.00 1.01 0.00 0.00 58.87 60.00 1xnj n SER 150 Cb 1.01 -3.05 -0.09 0.00 -1.01 0.00 0.00 64.21 61.06 1xnj n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xnj s LEU 151 N -2.98 4.05 0.48 -3.43 1.43 -0.31 -4.99 118.68 112.92 1xnj s LEU 151 Ca 0.00 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1xnj s LEU 151 Cb 0.00 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1xnj s LEU 151 CO 0.00 0.10 1.11 -2.65 0.23 0.00 0.00 176.35 175.14 1xnj n PRO 152 N 4.05 1.45 -3.81 1.29 -0.01 -1.26 -3.73 135.00 132.97 1xnj n PRO 152 Ca -0.16 0.53 -0.21 0.00 -0.01 0.00 0.00 63.50 63.65 1xnj n PRO 152 Cb 0.52 -2.23 -0.17 0.00 -0.01 0.00 0.00 33.50 31.61 1xnj n PRO 152 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 175.50 175.61 1xnj s PHE 153 N -1.31 0.47 -0.20 6.00 5.36 -1.26 -1.76 117.98 125.27 1xnj s PHE 153 Ca 0.66 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 1xnj s PHE 153 Cb -0.49 -0.64 0.04 0.00 -0.34 0.00 0.00 43.02 41.58 1xnj s PHE 153 CO 0.54 -0.25 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.84 1xnj s PHE 154 N 1.73 2.81 -0.33 10.12 0.40 0.48 -4.98 117.98 128.21 1xnj s PHE 154 Ca 0.01 -1.81 -0.18 0.00 -0.60 0.00 0.00 56.93 54.35 1xnj s PHE 154 Cb -0.13 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1xnj s PHE 154 CO -0.04 -0.81 0.51 -2.00 0.70 0.00 0.00 175.22 173.58 1xnj s GLU 155 N 1.27 3.72 -0.24 0.44 2.12 -1.26 0.94 118.70 125.69 1xnj s GLU 155 Ca -0.00 -0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 1xnj s GLU 155 Cb -0.16 -3.77 0.02 0.00 0.26 0.00 0.00 34.13 30.48 1xnj s GLU 155 CO -0.10 -0.57 -0.06 0.08 -0.54 0.00 0.00 175.26 174.07 1xnj s VAL 156 N 2.36 2.88 -0.60 3.70 1.01 0.23 -1.62 120.40 128.36 1xnj s VAL 156 Ca 0.19 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1xnj s VAL 156 Cb -0.15 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1xnj s VAL 156 CO 0.12 0.23 0.86 0.12 0.00 0.00 0.00 175.10 176.43 1xnj s PHE 157 N 1.33 2.82 -0.79 5.22 5.36 0.12 -0.63 117.98 131.41 1xnj s PHE 157 Ca 0.01 -0.50 -0.25 0.00 -0.96 0.00 0.00 56.93 55.23 1xnj s PHE 157 Cb -0.16 -4.06 0.05 0.00 -0.34 0.00 0.00 43.02 38.50 1xnj s PHE 157 CO -0.05 -1.41 1.25 0.08 -1.46 0.00 0.00 175.22 173.63 1xnj s VAL 158 N 3.55 3.92 -0.41 3.12 1.01 0.29 0.07 120.40 131.95 1xnj s VAL 158 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1xnj s VAL 158 Cb -0.18 -4.90 0.09 0.00 0.00 0.00 0.00 36.38 31.40 1xnj s VAL 158 CO 0.12 -1.79 0.22 -0.62 0.00 0.00 0.00 175.10 173.03 1xnj s ASP 159 N 3.98 5.43 0.00 3.32 3.68 -0.36 -4.19 116.67 128.53 1xnj s ASP 159 Ca 0.35 -1.72 0.05 0.00 2.13 0.00 0.00 52.55 53.36 1xnj s ASP 159 Cb -0.08 -1.91 -0.01 0.00 -1.45 0.00 0.00 42.92 39.47 1xnj s ASP 159 CO 0.08 -0.53 -0.15 0.00 0.13 0.00 0.00 175.17 174.69 1xnj s ALA 160 N 1.30 1.27 0.59 3.66 0.00 -1.26 -3.06 121.76 124.26 1xnj s ALA 160 Ca 0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1xnj s ALA 160 Cb -0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1xnj s ALA 160 CO -0.01 0.30 1.21 -2.14 0.00 0.00 0.00 175.76 175.12 1xnj s PRO 161 N -0.57 2.97 0.23 0.00 0.02 -1.26 -4.78 135.00 131.61 1xnj s PRO 161 Ca 0.05 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.84 1xnj s PRO 161 Cb -0.06 -1.93 0.37 0.00 0.02 0.00 0.00 34.50 32.90 1xnj s PRO 161 CO -0.00 -1.21 1.77 1.25 -0.33 0.00 0.00 177.00 178.48 1xnj h LEU 162 N 0.89 0.44 -1.20 -5.54 7.12 -1.99 -0.55 115.31 114.48 1xnj h LEU 162 Ca -0.50 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 57.56 1xnj h LEU 162 Cb 1.30 -0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.40 1xnj h LEU 162 CO 0.55 0.24 0.33 1.12 -0.13 0.00 0.00 178.44 180.55 1xnj h HIS 163 N 0.58 0.87 -0.33 1.25 2.07 -2.00 -2.19 115.15 115.40 1xnj h HIS 163 Ca 0.37 -0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.85 1xnj h HIS 163 Cb 0.43 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 1xnj h HIS 163 CO -0.11 0.62 0.11 0.28 -3.07 0.00 0.00 177.93 175.76 1xnj h VAL 164 N 0.89 1.20 -0.99 6.12 2.07 -1.51 -0.42 116.25 123.61 1xnj h VAL 164 Ca 0.22 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1xnj h VAL 164 Cb 0.05 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1xnj h VAL 164 CO -0.03 0.22 0.65 0.00 0.02 0.00 0.00 177.57 178.42 1xnj h GLU 166 N 1.21 0.15 -0.83 0.00 5.08 -1.20 -1.33 114.58 117.66 1xnj h GLU 166 Ca 0.41 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.83 1xnj h GLU 166 Cb 0.07 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.18 1xnj h GLU 166 CO -0.14 0.40 -0.39 0.94 -1.00 0.00 0.00 179.01 178.82 1xnj n GLN 167 N -4.85 -0.26 -0.10 2.33 -0.06 -0.18 -1.58 117.38 112.68 1xnj n GLN 167 Ca -0.06 1.27 -0.10 0.00 -2.00 0.00 0.00 57.00 56.11 1xnj n GLN 167 Cb 0.19 -1.88 0.04 0.00 -4.06 0.00 0.00 30.24 24.52 1xnj n GLN 167 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xnj h ARG 168 N 0.00 0.84 -6.27 3.69 3.08 -0.87 -3.46 114.38 111.39 1xnj h ARG 168 Ca 0.23 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 1xnj h ARG 168 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1xnj h ARG 168 CO -0.81 1.03 -0.16 -3.47 -1.07 0.00 0.00 179.97 175.49 1xnj n ASP 169 N -4.08 -0.22 -0.10 7.04 4.64 -0.52 -4.73 116.55 118.59 1xnj n ASP 169 Ca -0.01 -0.21 0.25 0.00 -1.38 0.00 0.00 54.79 53.45 1xnj n ASP 169 Cb 0.49 -0.26 0.72 0.00 -1.04 0.00 0.00 41.12 41.03 1xnj n ASP 169 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1xnj h VAL 170 N 1.31 0.58 -0.01 5.18 3.04 -1.88 -1.50 116.25 122.97 1xnj h VAL 170 Ca -0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1xnj h VAL 170 Cb 0.23 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1xnj h VAL 170 CO 0.10 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.95 1xnj n LYS 171 N -4.23 -0.16 -1.42 4.17 5.02 -1.26 -5.00 118.16 115.27 1xnj n LYS 171 Ca 0.15 -0.77 -0.05 0.00 -2.02 0.00 0.00 58.31 55.62 1xnj n LYS 171 Cb 0.83 -1.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 1xnj n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xnj n GLY 172 N 0.05 0.62 0.13 0.72 0.00 -0.56 -4.99 105.19 101.16 1xnj n GLY 172 Ca 0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1xnj n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xnj h LEU 173 N 0.00 0.52 -1.27 0.99 4.07 -1.95 -3.04 115.31 114.64 1xnj h LEU 173 Ca -0.12 -0.90 -0.05 0.00 0.08 0.00 0.00 57.88 56.89 1xnj h LEU 173 Cb 0.56 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1xnj h LEU 173 CO 0.16 1.66 -0.07 1.88 -1.08 0.00 0.00 178.44 180.99 1xnj h TYR 174 N -0.12 0.43 0.03 1.13 -1.99 -1.94 -1.33 116.97 113.17 1xnj h TYR 174 Ca -0.29 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.32 1xnj h TYR 174 Cb 1.91 -0.12 0.01 0.00 2.00 0.00 0.00 36.73 40.52 1xnj h TYR 174 CO 0.13 0.48 -0.30 1.57 -0.00 0.00 0.00 178.16 180.04 1xnj h LYS 175 N 0.39 0.15 0.00 4.88 2.10 -1.95 -0.04 116.57 122.10 1xnj h LYS 175 Ca 0.08 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1xnj h LYS 175 Cb 0.37 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1xnj h LYS 175 CO 0.02 1.01 0.60 -0.22 -2.00 0.00 0.00 179.45 178.86 1xnj h LYS 176 N -0.61 0.00 0.00 0.07 3.64 -1.45 -1.09 116.57 117.13 1xnj h LYS 176 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xnj h LYS 176 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1xnj h LYS 176 CO 0.06 0.00 -1.02 0.00 -2.27 0.00 0.00 179.45 176.21 1xnj n ALA 177 N -1.65 2.58 0.01 5.00 0.00 -0.51 -3.02 120.51 122.91 1xnj n ALA 177 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 1xnj n ALA 177 Cb 0.62 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 1xnj n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnj h ARG 178 N 0.00 0.70 0.00 0.00 2.47 0.20 -3.04 114.38 114.71 1xnj h ARG 178 Ca 0.00 -0.63 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 1xnj h ARG 178 Cb 0.31 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1xnj h ARG 178 CO 0.00 1.23 0.00 0.00 0.56 0.00 0.00 179.97 181.76 1xnj n ALA 179 N -2.60 1.61 -1.00 0.04 0.00 -0.63 -4.99 120.51 112.93 1xnj n ALA 179 Ca -0.08 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1xnj n ALA 179 Cb 0.79 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 1xnj n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 180 N -0.79 -1.40 0.00 0.00 0.00 -1.15 -4.91 105.19 96.94 1xnj n GLY 180 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1xnj n GLY 180 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xnj n GLU 181 N -3.14 0.00 -4.56 1.61 2.13 -1.26 -4.51 120.64 110.91 1xnj n GLU 181 Ca -0.01 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 1xnj n GLU 181 Cb 0.61 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.15 1xnj n GLU 181 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xnj s ILE 182 N -2.70 1.21 0.00 6.31 1.01 -1.17 -4.93 121.20 120.93 1xnj s ILE 182 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1xnj s ILE 182 Cb 0.00 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1xnj s ILE 182 CO 0.00 0.38 0.00 1.17 0.00 0.00 0.00 174.94 176.49 1xnj n LYS 183 N 3.91 0.00 -3.16 2.79 4.81 -1.26 -4.43 118.16 120.81 1xnj n LYS 183 Ca -0.22 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.81 1xnj n LYS 183 Cb 0.52 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.56 1xnj n LYS 183 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xnj n GLY 184 N 0.00 4.85 3.72 3.14 0.00 -1.26 -4.83 105.19 110.81 1xnj n GLY 184 Ca 0.00 -2.66 -0.42 0.00 0.00 0.00 0.00 46.02 42.94 1xnj n GLY 184 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xnj s PHE 185 N -2.33 2.93 0.57 1.61 2.19 -1.26 -2.91 117.98 118.78 1xnj s PHE 185 Ca 0.32 0.40 -0.20 0.00 0.33 0.00 0.00 56.93 57.77 1xnj s PHE 185 Cb 0.02 -4.11 -0.04 0.00 -1.31 0.00 0.00 43.02 37.58 1xnj s PHE 185 CO 0.04 -4.16 1.27 -0.08 1.83 0.00 0.00 175.22 174.12 1xnj s THR 186 N 1.15 2.36 0.00 0.12 -1.32 -1.26 -1.18 115.64 115.51 1xnj s THR 186 Ca 0.74 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 1xnj s THR 186 Cb -0.49 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.39 1xnj s THR 186 CO 0.32 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 1xnj n GLY 187 N 0.67 1.88 0.01 6.08 0.00 -0.86 -4.78 105.19 108.18 1xnj n GLY 187 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xnj n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xnj n ILE 188 N 0.00 0.00 0.03 -0.61 5.41 -0.85 -4.92 119.36 118.42 1xnj n ILE 188 Ca 0.00 0.15 -0.22 0.00 1.00 0.00 0.00 62.75 63.68 1xnj n ILE 188 Cb 0.00 -1.14 -0.14 0.00 -0.71 0.00 0.00 39.64 37.65 1xnj n ILE 188 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1xnj h ASP 189 N 0.00 0.45 -1.55 4.38 3.32 -1.42 -3.49 116.42 118.11 1xnj h ASP 189 Ca 0.00 -0.88 -0.47 0.00 0.02 0.00 0.00 57.03 55.70 1xnj h ASP 189 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xnj h ASP 189 CO 0.00 1.66 -0.36 -0.94 -1.72 0.00 0.00 179.24 177.88 1xnj s SER 190 N -7.10 5.26 0.37 6.45 1.04 -0.99 -4.84 113.70 113.90 1xnj s SER 190 Ca -0.19 -0.61 -0.20 0.00 0.48 0.00 0.00 55.95 55.43 1xnj s SER 190 Cb 0.05 -0.67 -0.10 0.00 0.10 0.00 0.00 66.02 65.40 1xnj s SER 190 CO 0.79 -0.63 0.88 -1.61 0.98 0.00 0.00 173.24 173.65 1xnj s GLU 191 N -4.17 4.23 -0.21 4.02 0.41 -1.26 -2.03 118.70 119.69 1xnj s GLU 191 Ca 0.49 1.03 -0.02 0.00 -0.41 0.00 0.00 54.97 56.06 1xnj s GLU 191 Cb -0.05 -2.38 0.01 0.00 -1.78 0.00 0.00 34.13 29.92 1xnj s GLU 191 CO 0.29 0.09 -0.10 -0.47 -0.49 0.00 0.00 175.26 174.58 1xnj s TYR 192 N -2.00 2.92 -0.31 1.61 6.14 -1.26 -4.66 117.35 119.78 1xnj s TYR 192 Ca 0.57 -1.31 -0.14 0.00 0.64 0.00 0.00 57.07 56.83 1xnj s TYR 192 Cb -0.11 -2.03 -0.02 0.00 0.42 0.00 0.00 41.96 40.21 1xnj s TYR 192 CO 0.16 -0.67 0.34 -1.21 0.64 0.00 0.00 175.55 174.81 1xnj s GLU 193 N 1.38 3.73 0.52 4.97 2.02 -0.79 -5.00 118.70 125.53 1xnj s GLU 193 Ca 0.04 -0.29 -0.23 0.00 0.02 0.00 0.00 54.97 54.52 1xnj s GLU 193 Cb -0.14 -3.75 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 1xnj s GLU 193 CO -0.07 -0.41 1.35 0.15 0.02 0.00 0.00 175.26 176.30 1xnj s LYS 194 N 1.99 3.32 0.42 1.61 1.02 -1.26 -4.55 119.74 122.30 1xnj s LYS 194 Ca 0.12 2.21 -0.26 0.00 0.02 0.00 0.00 55.97 58.06 1xnj s LYS 194 Cb -0.16 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1xnj s LYS 194 CO 0.11 -1.04 1.39 -2.30 -0.92 0.00 0.00 175.35 172.59 1xnj n PRO 195 N -0.80 2.23 0.04 -1.68 -0.02 -1.26 -4.91 135.00 128.59 1xnj n PRO 195 Ca 0.09 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 62.16 1xnj n PRO 195 Cb 0.45 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 1xnj n PRO 195 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xnj h GLU 196 N 2.36 0.27 -2.04 -0.52 5.08 -1.99 -3.41 114.58 114.34 1xnj h GLU 196 Ca -0.50 -0.47 -0.54 0.00 -1.00 0.00 0.00 59.36 56.86 1xnj h GLU 196 Cb 1.27 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 30.30 1xnj h GLU 196 CO 0.61 1.22 -1.06 0.00 -1.00 0.00 0.00 179.01 178.79 1xnj n ALA 197 N -2.72 2.59 -1.48 3.43 0.00 -1.26 -5.12 120.51 115.95 1xnj n ALA 197 Ca -0.15 -3.62 -0.34 0.00 0.00 0.00 0.00 53.44 49.33 1xnj n ALA 197 Cb 0.81 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 19.47 1xnj n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xnj s PRO 198 N -1.84 2.57 0.46 0.00 0.04 -1.26 -4.91 135.00 130.06 1xnj s PRO 198 Ca 0.38 1.60 0.22 0.00 0.04 0.00 0.00 61.00 63.24 1xnj s PRO 198 Cb 0.23 -1.90 1.14 0.00 0.04 0.00 0.00 34.50 34.01 1xnj s PRO 198 CO -0.09 -1.47 1.96 0.93 0.04 0.00 0.00 177.00 178.37 1xnj h GLU 199 N 0.05 0.00 -2.21 4.56 3.07 -1.68 -3.44 114.58 114.93 1xnj h GLU 199 Ca -0.48 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.32 1xnj h GLU 199 Cb 1.27 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.97 1xnj h GLU 199 CO 0.52 0.21 0.05 -1.17 -1.40 0.00 0.00 179.01 177.22 1xnj s LEU 200 N -7.46 -0.39 -0.24 1.33 2.96 -1.15 -5.00 118.68 108.73 1xnj s LEU 200 Ca -0.02 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1xnj s LEU 200 Cb 0.13 2.20 0.02 0.00 0.50 0.00 0.00 46.19 49.04 1xnj s LEU 200 CO 0.64 -0.33 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.57 1xnj s VAL 201 N -0.15 2.86 -0.37 1.68 1.01 -1.26 -0.71 120.40 123.46 1xnj s VAL 201 Ca -0.04 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1xnj s VAL 201 Cb -0.03 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1xnj s VAL 201 CO 0.03 0.26 0.48 -0.76 0.00 0.00 0.00 175.10 175.12 1xnj s LEU 202 N 1.34 4.50 -0.95 3.92 1.43 0.11 -4.96 118.68 124.06 1xnj s LEU 202 Ca 0.01 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 1xnj s LEU 202 Cb -0.16 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 43.66 1xnj s LEU 202 CO -0.05 -0.51 1.20 -0.54 0.23 0.00 0.00 176.35 176.68 1xnj s LYS 203 N 2.31 3.60 0.00 1.70 -0.14 -1.26 -1.23 119.74 124.73 1xnj s LYS 203 Ca 0.16 -1.63 0.25 0.00 -1.36 0.00 0.00 55.97 53.39 1xnj s LYS 203 Cb -0.16 -5.02 1.47 0.00 -1.68 0.00 0.00 37.83 32.45 1xnj s LYS 203 CO 0.14 -1.87 1.84 0.25 -0.76 0.00 0.00 175.35 174.95 1xnj n THR 204 N 5.80 0.01 1.01 2.17 -2.24 -1.17 -2.06 114.28 117.80 1xnj n THR 204 Ca 0.26 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1xnj n THR 204 Cb 0.49 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1xnj n THR 204 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xnj n ASP 205 N -1.01 1.05 -0.05 3.42 2.03 -1.26 -4.22 116.55 116.52 1xnj n ASP 205 Ca 0.18 -0.92 0.02 0.00 0.52 0.00 0.00 54.79 54.60 1xnj n ASP 205 Cb 0.09 0.73 0.03 0.00 -0.72 0.00 0.00 41.12 41.25 1xnj n ASP 205 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xnj n SER 206 N -1.24 1.64 -3.54 1.67 7.64 -0.87 -5.07 113.62 113.85 1xnj n SER 206 Ca 0.05 -2.08 -0.11 0.00 1.01 0.00 0.00 58.87 57.74 1xnj n SER 206 Cb 0.35 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1xnj n SER 206 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnj n ASP 208 N -0.35 1.97 -0.08 0.00 3.85 -1.26 -4.77 116.55 115.92 1xnj n ASP 208 Ca -0.15 -2.46 -0.12 0.00 -0.71 0.00 0.00 54.79 51.35 1xnj n ASP 208 Cb 0.64 -0.45 -0.05 0.00 -1.35 0.00 0.00 41.12 39.91 1xnj n ASP 208 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1xnj h VAL 209 N -0.00 1.28 -0.88 2.12 2.07 -2.00 -1.37 116.25 117.47 1xnj h VAL 209 Ca -0.28 -1.01 0.21 0.00 0.82 0.00 0.00 66.70 66.44 1xnj h VAL 209 Cb 1.23 1.50 -0.12 0.00 -1.52 0.00 0.00 31.29 32.37 1xnj h VAL 209 CO 0.38 0.31 0.37 0.78 0.02 0.00 0.00 177.57 179.43 1xnj h ASN 210 N 0.16 0.31 -0.94 0.57 -0.26 -1.99 0.46 115.58 113.89 1xnj h ASN 210 Ca 0.06 0.15 0.02 0.00 -0.56 0.00 0.00 56.30 55.96 1xnj h ASN 210 Cb 0.49 0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.83 1xnj h ASN 210 CO 0.02 0.01 0.62 0.44 -1.06 0.00 0.00 177.43 177.46 1xnj h ASP 211 N 0.40 1.06 0.35 5.81 3.45 -1.72 -0.04 116.42 125.75 1xnj h ASP 211 Ca 0.54 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.96 1xnj h ASP 211 Cb 0.99 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 1xnj h ASP 211 CO -0.51 0.76 -0.17 0.00 -1.57 0.00 0.00 179.24 177.74 1xnj h VAL 213 N -0.69 0.86 -0.20 0.00 2.07 -0.82 -1.73 116.25 115.75 1xnj h VAL 213 Ca -0.05 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1xnj h VAL 213 Cb 0.48 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1xnj h VAL 213 CO 0.08 0.15 -0.09 -0.61 0.02 0.00 0.00 177.57 177.11 1xnj h GLN 214 N 0.81 0.42 -0.77 1.57 4.15 -1.00 0.11 115.11 120.40 1xnj h GLN 214 Ca 0.45 -0.18 0.11 0.00 0.77 0.00 0.00 58.65 59.80 1xnj h GLN 214 Cb 0.48 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.08 1xnj h GLN 214 CO -0.28 0.71 0.39 1.96 -1.93 0.00 0.00 178.83 179.67 1xnj h GLN 215 N 0.11 0.61 0.24 1.69 4.20 -1.25 0.71 115.11 121.43 1xnj h GLN 215 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1xnj h GLN 215 Cb 0.58 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1xnj h GLN 215 CO 0.03 0.41 -0.12 0.28 -0.67 0.00 0.00 178.83 178.76 1xnj h VAL 216 N 0.63 0.73 -0.89 -0.54 2.07 -0.99 -2.19 116.25 115.07 1xnj h VAL 216 Ca 0.39 -0.87 0.19 0.00 0.82 0.00 0.00 66.70 67.23 1xnj h VAL 216 Cb 0.45 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.27 1xnj h VAL 216 CO -0.30 0.16 0.44 0.58 0.02 0.00 0.00 177.57 178.48 1xnj h VAL 217 N -0.83 0.60 0.00 2.57 2.07 -0.77 0.13 116.25 120.01 1xnj h VAL 217 Ca -0.03 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1xnj h VAL 217 Cb 0.51 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1xnj h VAL 217 CO 0.05 0.10 -0.39 -0.33 0.02 0.00 0.00 177.57 177.02 1xnj h GLU 218 N 0.53 0.00 0.20 1.57 5.08 -0.79 -0.43 114.58 120.75 1xnj h GLU 218 Ca 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1xnj h GLU 218 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1xnj h GLU 218 CO -0.45 0.39 -0.10 1.25 -1.00 0.00 0.00 179.01 179.10 1xnj h LEU 219 N 0.00 -0.23 -2.46 1.33 5.85 -0.39 -1.64 115.31 117.76 1xnj h LEU 219 Ca -0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1xnj h LEU 219 Cb 0.71 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1xnj h LEU 219 CO 0.05 0.14 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.19 1xnj h LEU 220 N -0.63 0.00 0.02 2.25 3.38 -0.25 -1.52 115.31 118.56 1xnj h LEU 220 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1xnj h LEU 220 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xnj h LEU 220 CO 0.05 0.03 -0.52 1.56 0.09 0.00 0.00 178.44 179.64 1xnj h GLN 221 N 0.00 0.31 -0.79 1.13 4.20 -0.95 -0.83 115.11 118.18 1xnj h GLN 221 Ca -0.00 -0.37 0.18 0.00 0.06 0.00 0.00 58.65 58.53 1xnj h GLN 221 Cb 0.14 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1xnj h GLN 221 CO 0.00 1.08 0.54 0.93 -0.67 0.00 0.00 178.83 180.71 1xnj h GLU 222 N -0.29 0.28 -0.43 1.46 5.08 -0.80 -2.45 114.58 117.44 1xnj h GLU 222 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xnj h GLU 222 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xnj h GLU 222 CO 0.10 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.84 1xnj n ARG 223 N -4.44 3.46 -2.62 2.33 5.12 -0.62 -4.95 116.66 114.94 1xnj n ARG 223 Ca 0.16 -2.77 -0.17 0.00 -1.93 0.00 0.00 57.85 53.14 1xnj n ARG 223 Cb 0.66 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1xnj n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1xnj n ASP 224 N 0.27 -5.06 -0.11 0.55 8.00 -0.92 -4.88 116.55 114.41 1xnj n ASP 224 Ca 0.22 -0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 1xnj n ASP 224 Cb 0.86 -4.02 -0.12 0.00 -0.02 0.00 0.00 41.12 37.82 1xnj n ASP 224 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xnj n ILE 225 N -4.15 1.54 -3.82 0.53 2.08 -0.39 -4.86 119.36 110.29 1xnj n ILE 225 Ca -0.14 -0.55 -0.36 0.00 0.56 0.00 0.00 62.75 62.26 1xnj n ILE 225 Cb 0.62 -1.53 -0.13 0.00 -0.75 0.00 0.00 39.64 37.84 1xnj n ILE 225 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1xnj s VAL 226 N -2.52 3.76 0.45 1.39 1.01 -0.76 -4.91 120.40 118.81 1xnj s VAL 226 Ca -0.33 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1xnj s VAL 226 Cb 0.09 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1xnj s VAL 226 CO 0.62 0.24 1.19 -2.84 0.00 0.00 0.00 175.10 174.31 1xnj s PRO 227 N 1.50 3.78 -0.72 2.72 0.02 -1.26 -4.21 135.00 136.83 1xnj s PRO 227 Ca 0.04 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 62.67 1xnj s PRO 227 Cb -0.16 -2.46 0.06 0.00 0.02 0.00 0.00 34.50 31.96 1xnj s PRO 227 CO 0.00 -0.56 1.08 0.08 -0.33 0.00 0.00 177.00 177.28 1xnj s VAL 228 N -1.49 4.17 0.55 3.83 1.01 -1.26 -5.02 120.40 122.19 1xnj s VAL 228 Ca 0.63 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 1xnj s VAL 228 Cb -0.30 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.26 1xnj s VAL 228 CO 0.37 -1.59 1.33 -1.81 0.00 0.00 0.00 175.10 173.40 1xnj s ASP 229 N 3.76 5.25 0.48 3.32 -0.00 -1.26 -4.96 116.67 123.26 1xnj s ASP 229 Ca 0.27 2.70 -0.24 0.00 -0.00 0.00 0.00 52.55 55.28 1xnj s ASP 229 Cb -0.13 -2.63 -0.07 0.00 -0.00 0.00 0.00 42.92 40.09 1xnj s ASP 229 CO 0.09 -1.58 1.42 0.00 -0.00 0.00 0.00 175.17 175.10 1xnj s ALA 230 N -1.34 3.11 0.07 5.23 0.00 0.53 -5.01 121.76 124.34 1xnj s ALA 230 Ca 0.73 1.44 0.04 0.00 0.00 0.00 0.00 51.96 54.17 1xnj s ALA 230 Cb -0.39 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1xnj s ALA 230 CO 0.45 -1.28 -0.11 0.45 0.00 0.00 0.00 175.76 175.28 1xnj s SER 231 N -0.62 1.35 0.00 0.00 0.15 -1.26 -4.90 113.70 108.41 1xnj s SER 231 Ca 0.64 -0.65 0.31 0.00 0.70 0.00 0.00 55.95 56.95 1xnj s SER 231 Cb -0.43 -0.01 1.63 0.00 -1.71 0.00 0.00 66.02 65.50 1xnj s SER 231 CO 0.54 -0.17 2.07 -1.22 1.20 0.00 0.00 173.24 175.67 1xnj n TYR 232 N 1.15 0.00 -1.65 3.44 4.02 -1.26 -4.18 117.16 118.68 1xnj n TYR 232 Ca -0.20 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.18 1xnj n TYR 232 Cb 0.55 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.81 1xnj n TYR 232 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1xnj n GLU 233 N -0.64 1.62 -1.70 -0.72 2.13 -1.26 -4.73 120.64 115.35 1xnj n GLU 233 Ca 0.22 0.59 -0.43 0.00 0.66 0.00 0.00 57.16 58.20 1xnj n GLU 233 Cb 0.19 -2.31 -0.02 0.00 0.27 0.00 0.00 31.44 29.57 1xnj n GLU 233 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1xnj n VAL 234 N 3.66 1.09 -3.87 6.31 0.31 -1.26 -4.90 118.33 119.67 1xnj n VAL 234 Ca 0.20 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.96 1xnj n VAL 234 Cb 0.23 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.34 1xnj n VAL 234 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xnj s LYS 235 N -0.60 1.14 0.52 5.55 2.20 -1.26 -5.08 119.74 122.20 1xnj s LYS 235 Ca 0.65 -1.27 -0.16 0.00 -0.36 0.00 0.00 55.97 54.83 1xnj s LYS 235 Cb -0.58 -2.49 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 1xnj s LYS 235 CO 0.51 -0.87 0.99 -1.21 -0.36 0.00 0.00 175.35 174.40 1xnj s GLU 236 N 1.36 3.92 0.00 4.03 2.02 -1.26 -3.95 118.70 124.82 1xnj s GLU 236 Ca 0.06 0.94 0.07 0.00 0.02 0.00 0.00 54.97 56.06 1xnj s GLU 236 Cb -0.18 -2.13 0.13 0.00 0.10 0.00 0.00 34.13 32.05 1xnj s GLU 236 CO -0.15 -0.30 0.98 1.28 0.02 0.00 0.00 175.26 177.09 1xnj n LEU 237 N -1.67 2.17 -4.67 1.80 4.77 0.52 -4.93 117.00 114.99 1xnj n LEU 237 Ca 0.07 -1.60 -0.48 0.00 -0.03 0.00 0.00 56.01 53.97 1xnj n LEU 237 Cb 0.54 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1xnj n LEU 237 CO 0.47 0.51 1.25 -1.22 -1.33 0.00 0.00 177.39 177.07 1xnj n TYR 238 N 0.23 2.21 -1.81 -1.77 0.53 -1.22 -1.29 117.16 114.03 1xnj n TYR 238 Ca 0.06 0.24 -0.40 0.00 -1.02 0.00 0.00 57.90 56.79 1xnj n TYR 238 Cb 0.28 -2.55 0.02 0.00 -1.03 0.00 0.00 39.34 36.06 1xnj n TYR 238 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1xnj s VAL 239 N 1.77 2.10 0.30 -0.72 0.11 1.00 -4.83 120.40 120.13 1xnj s VAL 239 Ca 0.84 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.69 1xnj s VAL 239 Cb -0.72 -3.05 -0.13 0.00 -1.53 0.00 0.00 36.38 30.94 1xnj s VAL 239 CO 0.43 0.01 1.13 -2.65 -3.33 0.00 0.00 175.10 170.69 1xnj n PRO 240 N -0.31 1.65 -0.33 1.54 -0.02 -1.26 -4.79 135.00 131.48 1xnj n PRO 240 Ca 0.06 0.58 0.24 0.00 -2.02 0.00 0.00 63.50 62.36 1xnj n PRO 240 Cb 0.42 -2.04 0.53 0.00 -0.02 0.00 0.00 33.50 32.40 1xnj n PRO 240 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xnj h GLU 241 N 2.29 0.34 -0.00 -0.52 -0.00 -1.97 0.19 114.58 114.91 1xnj h GLU 241 Ca -0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1xnj h GLU 241 Cb 1.32 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1xnj h GLU 241 CO 0.62 0.23 -0.05 0.27 -0.00 0.00 0.00 179.01 180.08 1xnj n ASN 242 N -4.60 0.22 -0.44 3.06 0.23 -1.26 -2.70 115.26 109.76 1xnj n ASN 242 Ca 0.26 -0.42 0.05 0.00 -0.53 0.00 0.00 54.58 53.94 1xnj n ASN 242 Cb 0.92 -0.16 0.06 0.00 -2.08 0.00 0.00 39.78 38.52 1xnj n ASN 242 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xnj n LYS 243 N -1.11 0.89 -0.03 -3.83 4.01 0.57 -4.76 118.16 113.90 1xnj n LYS 243 Ca 0.15 -1.28 -0.13 0.00 -0.51 0.00 0.00 58.31 56.54 1xnj n LYS 243 Cb 0.25 -1.21 -0.11 0.00 -0.51 0.00 0.00 35.03 33.45 1xnj n LYS 243 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1xnj h LEU 244 N 1.98 -0.03 -0.47 -0.35 5.85 -1.04 -2.04 115.31 119.22 1xnj h LEU 244 Ca 0.00 -0.67 0.09 0.00 0.84 0.00 0.00 57.88 58.14 1xnj h LEU 244 Cb 0.48 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1xnj h LEU 244 CO 0.00 0.69 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.95 1xnj h HIS 245 N -0.78 -0.22 -0.81 1.25 2.76 -1.86 0.48 115.15 115.98 1xnj h HIS 245 Ca -0.00 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1xnj h HIS 245 Cb 0.70 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.78 1xnj h HIS 245 CO 0.17 -0.19 0.53 1.25 -1.30 0.00 0.00 177.93 178.39 1xnj h LEU 246 N 0.01 0.78 -0.37 0.26 7.12 -1.87 -1.66 115.31 119.59 1xnj h LEU 246 Ca 0.23 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 58.05 1xnj h LEU 246 Cb 0.34 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 1xnj h LEU 246 CO -0.47 0.51 -0.78 0.00 -0.13 0.00 0.00 178.44 177.57 1xnj h ALA 247 N 1.56 0.57 -0.36 1.25 0.00 -0.51 0.67 119.26 122.44 1xnj h ALA 247 Ca 0.34 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1xnj h ALA 247 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xnj h ALA 247 CO -0.12 0.80 0.05 0.87 0.00 0.00 0.00 179.25 180.85 1xnj h LYS 248 N 0.21 0.60 0.38 0.00 1.57 -0.64 1.60 116.57 120.28 1xnj h LYS 248 Ca -0.04 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1xnj h LYS 248 Cb 1.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xnj h LYS 248 CO 0.13 0.68 -0.18 1.15 -0.57 0.00 0.00 179.45 180.65 1xnj h THR 249 N 0.43 0.63 -0.72 -0.16 2.02 -1.23 -1.15 112.91 112.75 1xnj h THR 249 Ca 0.11 -0.11 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1xnj h THR 249 Cb 0.37 0.69 -0.11 0.00 -1.74 0.00 0.00 68.15 67.37 1xnj h THR 249 CO 0.01 0.02 0.13 -0.78 0.37 0.00 0.00 175.52 175.27 1xnj h ASP 250 N -0.57 -0.08 -0.02 4.18 3.58 -0.50 -0.87 116.42 122.14 1xnj h ASP 250 Ca -0.05 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1xnj h ASP 250 Cb 0.43 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 1xnj h ASP 250 CO 0.09 -0.07 0.01 0.00 -2.88 0.00 0.00 179.24 176.39 1xnj h ALA 251 N 1.61 1.85 -0.02 -0.78 0.00 0.35 -2.58 119.26 119.69 1xnj h ALA 251 Ca 0.40 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1xnj h ALA 251 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xnj h ALA 251 CO -0.53 -0.02 -0.45 1.49 0.00 0.00 0.00 179.25 179.74 1xnj h GLU 252 N 0.00 0.06 0.00 0.00 4.57 -0.03 -2.56 114.58 116.61 1xnj h GLU 252 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xnj h GLU 252 Cb 0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1xnj h GLU 252 CO -0.00 0.49 0.00 0.25 -1.18 0.00 0.00 179.01 178.57 1xnj n THR 253 N -4.00 0.65 -3.27 0.32 -2.24 -0.97 -4.90 114.28 99.86 1xnj n THR 253 Ca -0.02 0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.62 1xnj n THR 253 Cb 0.48 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1xnj n THR 253 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xnj s LEU 254 N -3.49 3.98 1.12 3.22 1.43 -0.97 -5.06 118.68 118.92 1xnj s LEU 254 Ca 0.09 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 53.63 1xnj s LEU 254 Cb 0.12 -3.46 0.16 0.00 0.03 0.00 0.00 46.19 43.04 1xnj s LEU 254 CO 0.40 -0.29 0.39 -2.65 0.23 0.00 0.00 176.35 174.43 1xnj n PRO 255 N -1.52 -1.75 -4.06 1.29 -0.02 -1.26 -4.67 135.00 123.00 1xnj n PRO 255 Ca -0.03 -0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 60.88 1xnj n PRO 255 Cb 0.55 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 32.05 1xnj n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnj s ALA 256 N -2.31 0.43 -0.04 3.55 0.00 -1.26 -1.65 121.76 120.48 1xnj s ALA 256 Ca 0.60 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1xnj s ALA 256 Cb -0.17 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1xnj s ALA 256 CO 0.66 -0.24 -0.09 -1.17 0.00 0.00 0.00 175.76 174.91 1xnj s LEU 257 N -2.28 1.65 -0.14 0.00 2.96 0.15 -4.94 118.68 116.09 1xnj s LEU 257 Ca -0.02 -0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 1xnj s LEU 257 Cb -0.01 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 1xnj s LEU 257 CO -0.05 0.03 0.65 -0.54 -1.32 0.00 0.00 176.35 175.12 1xnj s LYS 258 N 0.49 4.31 0.41 1.98 1.02 -1.26 -0.74 119.74 125.95 1xnj s LYS 258 Ca -0.09 0.72 0.07 0.00 0.02 0.00 0.00 55.97 56.69 1xnj s LYS 258 Cb -0.12 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1xnj s LYS 258 CO 0.02 -0.09 0.18 0.96 -0.92 0.00 0.00 175.35 175.49 1xnj s ILE 259 N 1.38 2.29 0.00 2.17 -4.36 -0.26 -4.89 121.20 117.53 1xnj s ILE 259 Ca 0.32 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1xnj s ILE 259 Cb -0.16 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.56 1xnj s ILE 259 CO 0.13 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.85 1xnj n ASN 260 N -1.24 1.12 0.09 4.36 0.23 -1.26 -4.59 115.26 113.98 1xnj n ASN 260 Ca -0.01 -0.50 -0.22 0.00 -0.53 0.00 0.00 54.58 53.31 1xnj n ASN 260 Cb 0.65 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.21 1xnj n ASN 260 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xnj h LYS 261 N 0.00 0.58 -0.38 -3.83 3.64 -2.00 -1.71 116.57 112.87 1xnj h LYS 261 Ca 0.00 -0.81 -0.09 0.00 -1.27 0.00 0.00 60.65 58.48 1xnj h LYS 261 Cb 0.00 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1xnj h LYS 261 CO 0.00 1.37 -0.12 0.28 -2.27 0.00 0.00 179.45 178.72 1xnj h VAL 262 N 0.18 1.25 -1.00 2.00 2.07 -1.99 -0.41 116.25 118.35 1xnj h VAL 262 Ca -0.19 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1xnj h VAL 262 Cb 1.92 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 1xnj h VAL 262 CO 0.23 0.38 0.65 0.44 0.02 0.00 0.00 177.57 179.29 1xnj h ASP 263 N 0.61 1.06 0.61 0.57 3.32 -1.93 -1.67 116.42 118.99 1xnj h ASP 263 Ca 0.11 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1xnj h ASP 263 Cb 0.55 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1xnj h ASP 263 CO 0.03 0.70 -0.75 -0.03 -1.72 0.00 0.00 179.24 177.47 1xnj h MET 264 N 1.21 0.11 -0.02 3.56 4.05 -0.43 0.20 114.93 123.61 1xnj h MET 264 Ca 0.42 -0.10 -0.14 0.00 -0.28 0.00 0.00 59.70 59.60 1xnj h MET 264 Cb 0.09 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1xnj h MET 264 CO -0.15 0.81 -0.62 1.96 0.23 0.00 0.00 176.91 179.14 1xnj h GLN 265 N 0.07 0.09 -0.22 0.39 4.20 -0.41 -0.46 115.11 118.76 1xnj h GLN 265 Ca -0.02 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 1xnj h GLN 265 Cb 1.32 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1xnj h GLN 265 CO 0.11 0.68 -0.57 -1.49 -0.67 0.00 0.00 178.83 176.89 1xnj h TRP 266 N 0.07 0.89 -0.87 2.96 -0.00 -0.76 -0.15 115.95 118.08 1xnj h TRP 266 Ca -0.01 -0.32 0.21 0.00 -0.00 0.00 0.00 58.89 58.77 1xnj h TRP 266 Cb 1.11 -0.16 -0.12 0.00 -0.00 0.00 0.00 29.16 29.99 1xnj h TRP 266 CO 0.01 1.11 0.34 0.28 -0.00 0.00 0.00 178.44 180.18 1xnj h VAL 267 N 0.53 0.47 -0.48 1.49 2.07 -0.27 -1.17 116.25 118.89 1xnj h VAL 267 Ca 0.00 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1xnj h VAL 267 Cb 1.15 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xnj h VAL 267 CO 0.12 0.07 -0.23 -0.61 0.02 0.00 0.00 177.57 176.93 1xnj h GLN 268 N 0.37 1.00 -0.68 1.57 4.15 -0.70 0.14 115.11 120.95 1xnj h GLN 268 Ca 0.53 -0.44 0.09 0.00 0.77 0.00 0.00 58.65 59.60 1xnj h GLN 268 Cb 1.00 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.59 1xnj h GLN 268 CO -0.53 1.12 0.33 0.28 -1.93 0.00 0.00 178.83 178.09 1xnj h VAL 269 N 0.85 0.85 -0.13 2.39 2.07 0.11 -2.57 116.25 119.82 1xnj h VAL 269 Ca 0.11 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1xnj h VAL 269 Cb 0.82 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xnj h VAL 269 CO 0.07 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.70 1xnj h LEU 270 N 0.58 0.23 -0.80 2.57 3.38 -0.96 -2.43 115.31 117.87 1xnj h LEU 270 Ca 0.33 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1xnj h LEU 270 Cb 0.34 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1xnj h LEU 270 CO -0.26 0.48 0.42 0.00 0.09 0.00 0.00 178.44 179.17 1xnj h ALA 271 N 0.76 1.16 -0.00 1.53 0.00 -0.57 -0.87 119.26 121.27 1xnj h ALA 271 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xnj h ALA 271 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xnj h ALA 271 CO 0.01 -0.03 -0.15 0.39 0.00 0.00 0.00 179.25 179.46 1xnj n GLU 272 N -4.84 0.46 -0.09 0.00 1.02 -0.98 -0.35 120.64 115.85 1xnj n GLU 272 Ca 0.14 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1xnj n GLU 272 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1xnj n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnj n GLY 273 N 1.35 0.84 0.19 0.62 0.00 -0.33 -4.22 105.19 103.64 1xnj n GLY 273 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1xnj n GLY 273 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xnj h TRP 274 N 0.00 0.00 -0.98 1.61 4.06 -1.66 -2.55 115.95 116.43 1xnj h TRP 274 Ca 0.00 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 1xnj h TRP 274 Cb 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 27.86 1xnj h TRP 274 CO 0.00 0.36 0.65 0.00 -3.56 0.00 0.00 178.44 175.89 1xnj n ALA 275 N -2.33 5.57 -1.68 1.49 0.00 -1.25 -4.57 120.51 117.74 1xnj n ALA 275 Ca -0.01 -2.86 -0.42 0.00 0.00 0.00 0.00 53.44 50.16 1xnj n ALA 275 Cb 0.46 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1xnj n ALA 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xnj n THR 276 N -1.12 2.29 -0.80 0.00 -1.04 -0.96 -1.20 114.28 111.45 1xnj n THR 276 Ca 0.59 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.95 1xnj n THR 276 Cb 1.65 -1.47 0.18 0.00 -1.82 0.00 0.00 70.33 68.88 1xnj n THR 276 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xnj n PRO 277 N 0.30 2.44 -1.69 -2.82 -0.04 -1.26 -4.87 135.00 127.07 1xnj n PRO 277 Ca 0.06 -2.52 -0.43 0.00 -0.04 0.00 0.00 63.50 60.57 1xnj n PRO 277 Cb 0.38 -2.01 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1xnj n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xnj n LEU 278 N -0.62 3.38 -0.63 1.53 4.77 -0.34 -4.88 117.00 120.21 1xnj n LEU 278 Ca 0.45 1.19 0.11 0.00 -0.03 0.00 0.00 56.01 57.72 1xnj n LEU 278 Cb 1.40 -1.46 0.36 0.00 -2.33 0.00 0.00 43.42 41.38 1xnj n LEU 278 CO 0.46 -0.50 0.77 0.59 -1.33 0.00 0.00 177.39 177.38 1xnj n ASN 279 N 1.25 1.90 0.00 -1.43 3.02 -1.26 -4.98 115.26 113.77 1xnj n ASN 279 Ca 0.07 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1xnj n ASN 279 Cb 0.35 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1xnj n ASN 279 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xnj n GLY 280 N 1.18 -0.97 3.75 7.41 0.00 -1.25 -0.75 105.19 114.56 1xnj n GLY 280 Ca 0.17 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1xnj n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xnj s PHE 281 N -2.83 2.28 0.35 1.61 0.40 -1.15 -4.88 117.98 113.75 1xnj s PHE 281 Ca 0.00 1.49 -0.27 0.00 -0.60 0.00 0.00 56.93 57.55 1xnj s PHE 281 Cb 0.00 -3.59 -0.09 0.00 0.51 0.00 0.00 43.02 39.85 1xnj s PHE 281 CO 0.00 -2.52 1.20 -1.64 0.70 0.00 0.00 175.22 172.96 1xnj s MET 282 N -3.30 4.29 0.67 0.44 -1.94 -0.10 -2.60 119.30 116.76 1xnj s MET 282 Ca 0.79 1.95 -0.08 0.00 -1.71 0.00 0.00 55.69 56.63 1xnj s MET 282 Cb -0.34 -2.92 0.03 0.00 2.01 0.00 0.00 34.83 33.61 1xnj s MET 282 CO 0.37 -0.15 1.01 1.03 -0.01 0.00 0.00 175.02 177.27 1xnj s ARG 283 N -1.94 2.61 0.23 2.03 0.52 -1.26 -3.45 118.95 117.69 1xnj s ARG 283 Ca 0.51 0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.66 1xnj s ARG 283 Cb -0.34 -2.15 0.29 0.00 0.52 0.00 0.00 34.95 33.28 1xnj s ARG 283 CO 0.44 -1.03 1.60 1.49 0.02 0.00 0.00 175.30 177.82 1xnj h GLU 284 N -0.51 -0.01 -0.79 3.54 4.81 -1.95 0.14 114.58 119.82 1xnj h GLU 284 Ca -0.45 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1xnj h GLU 284 Cb 1.28 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 1xnj h GLU 284 CO 0.62 -0.01 0.50 -0.09 -0.73 0.00 0.00 179.01 179.30 1xnj h ARG 285 N -0.01 0.93 -0.09 1.92 2.43 -1.99 0.12 114.38 117.68 1xnj h ARG 285 Ca 0.35 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 59.22 1xnj h ARG 285 Cb 0.55 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1xnj h ARG 285 CO -0.77 0.61 -0.88 0.93 -1.51 0.00 0.00 179.97 178.36 1xnj h GLU 286 N 0.96 0.76 -0.10 0.20 5.08 -1.20 -1.45 114.58 118.83 1xnj h GLU 286 Ca 0.32 -0.70 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1xnj h GLU 286 Cb 0.05 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1xnj h GLU 286 CO -0.13 1.29 -0.07 -0.92 -1.00 0.00 0.00 179.01 178.18 1xnj h TYR 287 N 0.48 -0.18 -0.29 4.33 3.20 -0.39 0.45 116.97 124.57 1xnj h TYR 287 Ca -0.08 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 1xnj h TYR 287 Cb 1.52 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 1xnj h TYR 287 CO 0.09 -0.12 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.26 1xnj h LEU 288 N -0.08 0.51 -0.46 2.82 3.38 -0.70 -0.52 115.31 120.25 1xnj h LEU 288 Ca 0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xnj h LEU 288 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xnj h LEU 288 CO -0.15 0.69 0.11 1.56 0.09 0.00 0.00 178.44 180.74 1xnj h GLN 289 N 0.47 0.74 -0.44 1.13 4.20 -0.77 -1.79 115.11 118.65 1xnj h GLN 289 Ca 0.08 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1xnj h GLN 289 Cb 0.56 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1xnj h GLN 289 CO 0.04 0.74 0.03 0.00 -0.67 0.00 0.00 178.83 178.96 1xnj h LEU 291 N 0.62 0.79 0.10 0.00 3.38 -0.88 -1.66 115.31 117.67 1xnj h LEU 291 Ca 0.13 -0.36 -0.28 0.00 0.09 0.00 0.00 57.88 57.46 1xnj h LEU 291 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xnj h LEU 291 CO 0.02 1.09 -1.37 0.45 0.09 0.00 0.00 178.44 178.72 1xnj h HIS 292 N 0.61 0.40 -0.00 1.13 3.86 -1.31 -3.41 115.15 116.43 1xnj h HIS 292 Ca 0.05 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1xnj h HIS 292 Cb 0.94 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1xnj h HIS 292 CO 0.05 1.28 -0.04 1.19 0.86 0.00 0.00 177.93 181.27 1xnj n PHE 293 N -3.45 0.00 -1.91 2.45 0.99 -0.45 -4.99 117.46 110.10 1xnj n PHE 293 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.13 1xnj n PHE 293 Cb 1.02 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 39.45 1xnj n PHE 293 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1xnj n ASP 294 N -0.82 -5.63 -3.94 4.37 8.00 -0.62 -4.96 116.55 112.95 1xnj n ASP 294 Ca 0.00 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.72 1xnj n ASP 294 Cb 0.02 -4.86 -0.09 0.00 -0.02 0.00 0.00 41.12 36.17 1xnj n ASP 294 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xnj s LEU 296 N -2.26 4.31 0.00 0.00 1.43 0.23 -3.75 118.68 118.64 1xnj s LEU 296 Ca -0.03 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1xnj s LEU 296 Cb 0.00 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1xnj s LEU 296 CO -0.06 0.13 0.00 0.18 0.23 0.00 0.00 176.35 176.83 1xnj n LEU 297 N 0.46 0.00 -4.69 1.79 4.77 -1.26 -1.17 117.00 116.91 1xnj n LEU 297 Ca -0.05 -0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1xnj n LEU 297 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1xnj n LEU 297 CO 0.46 0.00 0.77 -1.81 -1.33 0.00 0.00 177.39 175.49 1xnj s ASP 298 N -0.84 7.25 0.00 -1.43 1.01 -1.26 -2.48 116.67 118.93 1xnj s ASP 298 Ca 0.00 1.54 0.00 0.00 0.71 0.00 0.00 52.55 54.80 1xnj s ASP 298 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1xnj s ASP 298 CO 0.00 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1xnj n GLY 299 N 3.08 0.38 0.00 0.21 0.00 -1.26 -4.59 105.19 103.01 1xnj n GLY 299 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xnj n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnj n GLY 300 N -2.00 3.62 3.64 -0.02 0.00 -1.03 -0.35 105.19 109.05 1xnj n GLY 300 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1xnj n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnj s VAL 301 N -2.41 4.96 -0.15 1.61 1.01 -1.26 -4.09 120.40 120.07 1xnj s VAL 301 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1xnj s VAL 301 Cb 0.00 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1xnj s VAL 301 CO 0.00 0.03 -0.14 -0.63 0.00 0.00 0.00 175.10 174.37 1xnj s ILE 302 N 2.35 1.55 0.14 2.22 -1.09 -0.31 -4.62 121.20 121.45 1xnj s ILE 302 Ca 0.30 -0.63 -0.31 0.00 -2.23 0.00 0.00 60.65 57.77 1xnj s ILE 302 Cb -0.16 -1.47 -0.10 0.00 -1.58 0.00 0.00 42.46 39.15 1xnj s ILE 302 CO 0.09 0.44 1.68 0.21 -1.23 0.00 0.00 174.94 176.13 1xnj s ASN 303 N 1.49 6.51 -0.35 3.58 3.84 -1.26 0.76 114.94 129.50 1xnj s ASN 303 Ca 0.05 2.68 0.02 0.00 0.21 0.00 0.00 52.86 55.81 1xnj s ASN 303 Cb -0.13 -2.58 0.19 0.00 -0.55 0.00 0.00 41.25 38.17 1xnj s ASN 303 CO -0.11 -0.91 0.76 -0.22 -2.79 0.00 0.00 177.10 173.84 1xnj s LEU 304 N 1.83 -1.16 0.00 3.21 0.20 -0.86 -4.81 118.68 117.09 1xnj s LEU 304 Ca 0.74 -0.36 0.20 0.00 0.69 0.00 0.00 54.13 55.41 1xnj s LEU 304 Cb -0.45 1.55 0.10 0.00 -0.43 0.00 0.00 46.19 46.96 1xnj s LEU 304 CO 0.33 -0.15 1.09 -1.54 -0.29 0.00 0.00 176.35 175.78 1xnj n SER 305 N 4.52 2.40 -4.22 3.68 3.41 -1.24 -3.70 113.62 118.47 1xnj n SER 305 Ca 0.08 -1.70 -0.27 0.00 -0.26 0.00 0.00 58.87 56.72 1xnj n SER 305 Cb 0.58 0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.54 1xnj n SER 305 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xnj s VAL 306 N -1.87 1.61 0.23 -3.33 -7.23 -1.26 -4.86 120.40 103.69 1xnj s VAL 306 Ca 0.21 -0.88 -0.32 0.00 -1.81 0.00 0.00 61.98 59.18 1xnj s VAL 306 Cb 0.17 -1.34 -0.12 0.00 0.56 0.00 0.00 36.38 35.64 1xnj s VAL 306 CO 0.34 0.45 1.65 -2.65 -0.31 0.00 0.00 175.10 174.57 1xnj n PRO 307 N 2.56 2.62 -3.77 4.82 -0.02 -1.26 -4.94 135.00 135.01 1xnj n PRO 307 Ca -0.15 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 1xnj n PRO 307 Cb 0.53 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.15 1xnj n PRO 307 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xnj s ILE 308 N 0.70 3.42 0.18 4.25 1.01 -1.26 -5.08 121.20 124.43 1xnj s ILE 308 Ca 0.72 -2.70 0.04 0.00 0.00 0.00 0.00 60.65 58.71 1xnj s ILE 308 Cb -0.54 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1xnj s ILE 308 CO 0.39 -0.80 -0.06 0.68 0.00 0.00 0.00 174.94 175.14 1xnj s VAL 309 N 0.31 1.13 -0.16 2.92 -7.23 -1.26 -0.92 120.40 115.19 1xnj s VAL 309 Ca 0.14 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1xnj s VAL 309 Cb -0.22 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1xnj s VAL 309 CO -0.03 -0.56 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.79 1xnj s LEU 310 N -3.23 2.29 0.38 1.32 2.96 -1.25 -4.99 118.68 116.16 1xnj s LEU 310 Ca 0.22 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1xnj s LEU 310 Cb 0.04 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1xnj s LEU 310 CO 0.04 0.06 0.61 0.42 -1.32 0.00 0.00 176.35 176.16 1xnj s THR 311 N 0.93 4.91 0.08 3.68 -4.23 -1.26 0.13 115.64 119.88 1xnj s THR 311 Ca -0.04 -0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 59.91 1xnj s THR 311 Cb -0.15 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1xnj s THR 311 CO -0.03 -0.57 0.49 0.00 -0.54 0.00 0.00 174.62 173.96 1xnj s ALA 312 N -2.42 -1.23 0.68 3.99 0.00 -0.49 -4.85 121.76 117.45 1xnj s ALA 312 Ca 0.42 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 1xnj s ALA 312 Cb -0.10 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.57 1xnj s ALA 312 CO 0.38 -0.56 0.99 0.95 0.00 0.00 0.00 175.76 177.52 1xnj s THR 313 N -2.89 2.56 0.28 0.00 -4.23 -1.26 -1.82 115.64 108.28 1xnj s THR 313 Ca -0.03 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.30 1xnj s THR 313 Cb -0.00 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 71.03 1xnj s THR 313 CO -0.05 -0.10 1.68 0.45 -0.54 0.00 0.00 174.62 176.05 1xnj h HIS 314 N -0.52 0.51 0.03 3.99 3.86 -1.97 -0.37 115.15 120.68 1xnj h HIS 314 Ca -0.45 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1xnj h HIS 314 Cb 1.30 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1xnj h HIS 314 CO 0.36 -0.10 -0.01 0.93 0.86 0.00 0.00 177.93 179.97 1xnj h GLU 315 N 0.33 -0.04 -0.68 2.45 3.07 -2.00 -1.56 114.58 116.14 1xnj h GLU 315 Ca 0.54 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.34 1xnj h GLU 315 Cb 1.03 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 1xnj h GLU 315 CO -0.56 0.33 0.20 -0.44 -1.40 0.00 0.00 179.01 177.14 1xnj h ASP 316 N -0.41 0.98 -0.09 1.42 3.32 -1.87 -2.42 116.42 117.35 1xnj h ASP 316 Ca -0.00 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1xnj h ASP 316 Cb 0.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xnj h ASP 316 CO 0.01 0.92 0.02 0.50 -1.72 0.00 0.00 179.24 178.96 1xnj h LYS 317 N 1.01 0.05 0.00 3.56 3.64 -0.77 0.36 116.57 124.42 1xnj h LYS 317 Ca 0.22 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1xnj h LYS 317 Cb 0.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1xnj h LYS 317 CO -0.01 0.04 -0.60 0.93 -2.27 0.00 0.00 179.45 177.54 1xnj h GLU 318 N 0.06 0.00 -0.60 1.90 5.08 -1.08 -0.55 114.58 119.39 1xnj h GLU 318 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1xnj h GLU 318 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1xnj h GLU 318 CO -0.06 0.60 0.26 -0.09 -1.00 0.00 0.00 179.01 178.72 1xnj h ARG 319 N 0.00 0.89 0.00 2.33 2.43 -1.19 -3.35 114.38 115.49 1xnj h ARG 319 Ca -0.01 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1xnj h ARG 319 Cb 1.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1xnj h ARG 319 CO 0.08 0.75 -1.86 1.28 -1.51 0.00 0.00 179.97 178.71 1xnj n LEU 320 N -4.48 0.19 -4.75 3.80 4.77 0.09 -4.90 117.00 111.73 1xnj n LEU 320 Ca 0.04 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1xnj n LEU 320 Cb 0.15 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1xnj n LEU 320 CO 0.39 0.05 1.16 -0.62 -1.33 0.00 0.00 177.39 177.03 1xnj s ASP 321 N -4.87 6.51 0.00 -1.43 2.15 -0.28 -1.49 116.67 117.27 1xnj s ASP 321 Ca -0.07 2.82 0.00 0.00 0.43 0.00 0.00 52.55 55.74 1xnj s ASP 321 Cb 0.12 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1xnj s ASP 321 CO 0.87 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 1xnj n GLY 322 N 1.91 2.65 3.82 2.66 0.00 -1.26 -4.96 105.19 110.01 1xnj n GLY 322 Ca 0.06 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1xnj n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj n THR 324 N 1.71 0.00 -3.63 0.00 -2.24 -1.26 -4.55 114.28 104.31 1xnj n THR 324 Ca -0.11 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1xnj n THR 324 Cb 0.51 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 1xnj n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnj s ALA 325 N -2.10 -1.94 0.19 6.98 0.00 -1.26 -1.08 121.76 122.55 1xnj s ALA 325 Ca 0.37 1.86 -0.08 0.00 0.00 0.00 0.00 51.96 54.11 1xnj s ALA 325 Cb 0.21 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1xnj s ALA 325 CO 0.37 -0.26 0.29 -0.59 0.00 0.00 0.00 175.76 175.58 1xnj s PHE 326 N 0.11 0.55 0.04 0.00 -0.12 -0.74 -4.49 117.98 113.33 1xnj s PHE 326 Ca 0.02 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 1xnj s PHE 326 Cb -0.05 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1xnj s PHE 326 CO -0.04 -0.76 0.08 0.00 -0.05 0.00 0.00 175.22 174.44 1xnj s ALA 327 N -4.02 3.56 -0.15 1.99 0.00 -0.66 -0.82 121.76 121.67 1xnj s ALA 327 Ca 0.23 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1xnj s ALA 327 Cb 0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1xnj s ALA 327 CO 0.04 0.72 0.05 -0.51 0.00 0.00 0.00 175.76 176.06 1xnj s LEU 328 N -2.08 3.78 -0.15 0.00 1.43 0.26 -0.67 118.68 121.25 1xnj s LEU 328 Ca 0.26 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1xnj s LEU 328 Cb -0.12 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1xnj s LEU 328 CO 0.18 0.26 -0.19 -0.32 0.23 0.00 0.00 176.35 176.51 1xnj s MET 329 N -0.14 2.79 -0.12 1.70 1.75 0.08 -0.54 119.30 124.81 1xnj s MET 329 Ca 0.07 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1xnj s MET 329 Cb -0.12 -2.35 0.00 0.00 2.84 0.00 0.00 34.83 35.20 1xnj s MET 329 CO 0.01 -0.12 -0.22 -0.47 -0.65 0.00 0.00 175.02 173.57 1xnj s TYR 330 N 1.09 2.63 -1.17 4.11 5.04 0.23 -1.10 117.35 128.18 1xnj s TYR 330 Ca -0.01 -1.20 -0.24 0.00 -2.44 0.00 0.00 57.07 53.17 1xnj s TYR 330 Cb -0.14 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.40 1xnj s TYR 330 CO -0.07 -0.52 0.75 0.39 -1.34 0.00 0.00 175.55 174.76 1xnj n GLU 331 N 3.84 -0.99 -0.40 4.97 1.02 -1.26 -0.45 120.64 127.37 1xnj n GLU 331 Ca -0.20 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1xnj n GLU 331 Cb 0.52 -3.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.28 1xnj n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnj n GLY 332 N -1.82 0.00 3.82 0.62 0.00 -1.26 -4.96 105.19 101.60 1xnj n GLY 332 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1xnj n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnj s ARG 333 N -0.79 3.91 -0.63 1.61 0.52 0.40 -5.07 118.95 118.91 1xnj s ARG 333 Ca 0.00 0.32 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 1xnj s ARG 333 Cb 0.00 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.24 1xnj s ARG 333 CO 0.00 0.63 1.32 1.03 0.02 0.00 0.00 175.30 178.30 1xnj s ARG 334 N -0.83 3.31 0.00 3.54 0.52 -1.26 -0.60 118.95 123.63 1xnj s ARG 334 Ca 0.22 0.17 0.22 0.00 -0.52 0.00 0.00 55.73 55.83 1xnj s ARG 334 Cb -0.16 -4.12 0.03 0.00 0.52 0.00 0.00 34.95 31.22 1xnj s ARG 334 CO 0.11 -1.96 1.06 1.33 0.02 0.00 0.00 175.30 175.87 1xnj n VAL 335 N 6.66 0.02 -3.61 3.52 0.24 0.30 -4.75 118.33 120.71 1xnj n VAL 335 Ca 0.08 -0.04 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 1xnj n VAL 335 Cb 0.49 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 1xnj n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xnj s ALA 336 N -3.03 -2.10 -0.07 2.33 0.00 -1.21 -1.79 121.76 115.89 1xnj s ALA 336 Ca 0.08 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1xnj s ALA 336 Cb 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1xnj s ALA 336 CO 0.81 -0.78 -0.23 0.42 0.00 0.00 0.00 175.76 175.98 1xnj s ILE 337 N -2.50 1.96 -0.31 0.00 1.01 0.14 -0.58 121.20 120.93 1xnj s ILE 337 Ca 0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1xnj s ILE 337 Cb 0.01 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1xnj s ILE 337 CO -0.04 0.54 0.08 -0.22 0.00 0.00 0.00 174.94 175.30 1xnj s LEU 338 N 0.03 4.01 0.03 2.97 2.96 0.00 0.58 118.68 129.25 1xnj s LEU 338 Ca -0.08 -0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 52.88 1xnj s LEU 338 Cb -0.15 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1xnj s LEU 338 CO 0.05 -0.25 0.22 -0.13 -1.32 0.00 0.00 176.35 174.92 1xnj s ARG 339 N 1.44 3.48 -1.22 1.98 0.52 -0.25 -1.80 118.95 123.10 1xnj s ARG 339 Ca 0.00 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1xnj s ARG 339 Cb -0.18 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1xnj s ARG 339 CO 0.02 0.63 0.74 0.09 0.02 0.00 0.00 175.30 176.80 1xnj n ASN 340 N 0.70 -3.34 -4.80 0.23 3.02 -0.24 -1.28 115.26 109.56 1xnj n ASN 340 Ca -0.08 -0.89 -0.35 0.00 -0.03 0.00 0.00 54.58 53.22 1xnj n ASN 340 Cb 0.52 -3.89 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 1xnj n ASN 340 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xnj s PRO 341 N -5.80 4.23 -0.01 3.52 0.04 -1.26 -4.61 135.00 131.10 1xnj s PRO 341 Ca 0.24 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1xnj s PRO 341 Cb -0.07 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1xnj s PRO 341 CO 0.83 -0.05 -0.13 -1.83 0.04 0.00 0.00 177.00 175.86 1xnj s GLU 342 N -2.74 1.08 -0.16 4.56 -1.05 0.20 -4.95 118.70 115.63 1xnj s GLU 342 Ca 0.59 -0.45 -0.03 0.00 -0.15 0.00 0.00 54.97 54.93 1xnj s GLU 342 Cb -0.16 -1.03 -0.02 0.00 -0.44 0.00 0.00 34.13 32.48 1xnj s GLU 342 CO 0.20 0.26 -0.05 -0.06 0.95 0.00 0.00 175.26 176.56 1xnj s PHE 343 N -0.22 2.98 0.07 4.83 0.40 -1.26 -0.45 117.98 124.32 1xnj s PHE 343 Ca 0.03 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1xnj s PHE 343 Cb -0.06 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1xnj s PHE 343 CO -0.00 -0.15 0.01 -0.59 0.70 0.00 0.00 175.22 175.19 1xnj s PHE 344 N 0.57 0.51 0.40 0.36 -0.12 -0.54 -4.96 117.98 114.20 1xnj s PHE 344 Ca -0.03 -1.02 -0.25 0.00 -0.05 0.00 0.00 56.93 55.57 1xnj s PHE 344 Cb -0.15 -0.35 -0.08 0.00 -0.63 0.00 0.00 43.02 41.81 1xnj s PHE 344 CO 0.03 -0.42 1.18 -1.21 -0.05 0.00 0.00 175.22 174.74 1xnj s GLU 345 N -3.93 4.03 -0.86 1.99 2.02 -1.26 -0.93 118.70 119.76 1xnj s GLU 345 Ca 0.09 1.85 -0.15 0.00 0.02 0.00 0.00 54.97 56.78 1xnj s GLU 345 Cb 0.07 -2.66 0.19 0.00 0.10 0.00 0.00 34.13 31.84 1xnj s GLU 345 CO -0.09 -0.35 0.87 -1.58 0.02 0.00 0.00 175.26 174.14 1xnj s HIS 346 N -1.42 3.58 -0.81 1.61 5.65 -0.06 -4.68 115.29 119.17 1xnj s HIS 346 Ca 0.58 -1.82 -0.26 0.00 0.25 0.00 0.00 55.06 53.80 1xnj s HIS 346 Cb -0.31 -3.95 0.02 0.00 -1.18 0.00 0.00 32.58 27.16 1xnj s HIS 346 CO 0.39 -1.13 1.46 1.03 -0.65 0.00 0.00 174.74 175.84 1xnj s ARG 347 N 0.87 3.17 0.05 2.88 1.81 -1.26 -4.76 118.95 121.70 1xnj s ARG 347 Ca 0.22 -0.36 -0.11 0.00 -1.72 0.00 0.00 55.73 53.76 1xnj s ARG 347 Cb -0.09 -4.60 -0.32 0.00 -0.45 0.00 0.00 34.95 29.50 1xnj s ARG 347 CO -0.09 -2.35 1.07 0.87 -0.68 0.00 0.00 175.30 174.12 1xnj h LYS 348 N 10.78 0.45 -0.40 3.54 1.57 -1.95 -1.53 116.57 129.04 1xnj h LYS 348 Ca -0.12 -0.75 -0.01 0.00 -1.87 0.00 0.00 60.65 57.90 1xnj h LYS 348 Cb 1.05 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1xnj h LYS 348 CO 1.31 1.35 0.22 1.49 -0.57 0.00 0.00 179.45 183.25 1xnj h GLU 349 N 0.14 0.56 -0.44 3.15 4.81 -1.99 -0.54 114.58 120.26 1xnj h GLU 349 Ca -0.20 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xnj h GLU 349 Cb 2.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.32 1xnj h GLU 349 CO 0.25 0.45 0.18 1.49 -0.73 0.00 0.00 179.01 180.65 1xnj h GLU 350 N 0.52 0.66 -0.13 1.92 4.81 -1.96 -0.78 114.58 119.62 1xnj h GLU 350 Ca 0.14 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1xnj h GLU 350 Cb 0.06 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1xnj h GLU 350 CO -0.02 0.60 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.55 1xnj h ARG 351 N 0.57 -0.27 0.15 1.92 2.43 -1.22 0.11 114.38 118.08 1xnj h ARG 351 Ca 0.15 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1xnj h ARG 351 Cb 0.18 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xnj h ARG 351 CO -0.01 -0.18 -0.07 0.00 -1.51 0.00 0.00 179.97 178.19 1xnj h ALA 353 N 0.60 0.45 -0.08 0.00 0.00 -0.83 -0.46 119.26 118.94 1xnj h ALA 353 Ca -0.02 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xnj h ALA 353 Cb 0.19 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xnj h ALA 353 CO 0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 179.25 178.59 1xnj h ARG 354 N 0.17 0.15 0.17 0.00 3.08 -0.50 0.18 114.38 117.63 1xnj h ARG 354 Ca 0.22 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.90 1xnj h ARG 354 Cb 0.30 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xnj h ARG 354 CO -0.32 0.48 -1.48 0.37 -1.07 0.00 0.00 179.97 177.95 1xnj h GLN 355 N 0.13 0.37 -0.00 0.04 4.15 -0.84 -3.37 115.11 115.58 1xnj h GLN 355 Ca 0.02 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1xnj h GLN 355 Cb 0.67 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1xnj h GLN 355 CO 0.05 1.27 -0.26 0.91 -1.93 0.00 0.00 178.83 178.87 1xnj n TRP 356 N -3.57 0.00 -1.60 3.99 8.01 -0.20 -4.70 117.44 119.37 1xnj n TRP 356 Ca -0.16 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.90 1xnj n TRP 356 Cb 1.06 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.32 1xnj n TRP 356 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xnj n GLY 357 N 1.00 1.02 3.53 6.99 0.00 0.64 -4.99 105.19 113.38 1xnj n GLY 357 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1xnj n GLY 357 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xnj s THR 358 N -2.53 0.00 -0.16 2.61 -1.32 -1.24 -5.03 115.64 107.96 1xnj s THR 358 Ca 0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 1xnj s THR 358 Cb 0.00 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 1xnj s THR 358 CO 0.00 0.00 1.29 0.35 -2.21 0.00 0.00 174.62 174.05 1xnj n THR 359 N 0.46 2.08 -1.54 5.08 -2.24 -1.26 -3.37 114.28 113.50 1xnj n THR 359 Ca -0.12 -2.05 -0.56 0.00 -2.27 0.00 0.00 64.05 59.05 1xnj n THR 359 Cb 0.59 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 1xnj n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnj h LYS 361 N 9.35 0.00 -0.50 0.00 1.57 -1.95 -2.21 116.57 122.82 1xnj h LYS 361 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1xnj h LYS 361 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1xnj h LYS 361 CO 1.01 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.98 1xnj n ASN 362 N -2.89 3.65 -4.72 0.86 3.02 -1.26 -4.07 115.26 109.85 1xnj n ASN 362 Ca -0.00 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.13 1xnj n ASN 362 Cb 0.21 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1xnj n ASN 362 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xnj s HIS 363 N -1.34 2.97 0.27 3.10 5.65 -0.83 -4.89 115.29 120.22 1xnj s HIS 363 Ca 0.42 0.56 0.19 0.00 0.25 0.00 0.00 55.06 56.49 1xnj s HIS 363 Cb 0.24 -4.02 0.88 0.00 -1.18 0.00 0.00 32.58 28.49 1xnj s HIS 363 CO 0.33 -3.74 1.84 -1.00 -0.65 0.00 0.00 174.74 171.51 1xnj h PRO 364 N 6.48 0.00 0.18 2.88 0.13 -1.90 0.18 132.00 139.95 1xnj h PRO 364 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.35 1xnj h PRO 364 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xnj h PRO 364 CO 0.91 0.31 -1.68 -0.92 -0.23 0.00 0.00 178.00 176.39 1xnj h TYR 365 N 0.00 0.69 -0.92 1.56 5.03 -1.91 -3.14 116.97 118.29 1xnj h TYR 365 Ca -0.00 -0.51 0.07 0.00 2.58 0.00 0.00 58.73 60.87 1xnj h TYR 365 Cb 0.71 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 1xnj h TYR 365 CO 0.00 1.61 0.58 0.82 -1.32 0.00 0.00 178.16 179.85 1xnj h ILE 366 N 0.10 1.05 -0.88 1.81 2.04 -1.73 0.13 117.51 120.04 1xnj h ILE 366 Ca -0.32 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.27 1xnj h ILE 366 Cb 2.09 -0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 1xnj h ILE 366 CO 0.19 0.19 0.53 0.50 0.00 0.00 0.00 178.15 179.56 1xnj h LYS 367 N 1.05 0.90 -0.64 2.37 3.64 -0.76 1.22 116.57 124.35 1xnj h LYS 367 Ca 0.40 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1xnj h LYS 367 Cb 0.18 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1xnj h LYS 367 CO -0.18 0.60 0.15 0.52 -2.27 0.00 0.00 179.45 178.27 1xnj h MET 368 N 0.93 1.02 -0.62 1.90 2.86 -0.80 -2.72 114.93 117.50 1xnj h MET 368 Ca 0.40 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1xnj h MET 368 Cb 0.28 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1xnj h MET 368 CO -0.21 0.92 0.08 0.28 1.06 0.00 0.00 176.91 179.04 1xnj h VAL 369 N 0.94 1.26 0.00 -2.22 2.07 0.17 -1.57 116.25 116.90 1xnj h VAL 369 Ca 0.20 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1xnj h VAL 369 Cb 0.36 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1xnj h VAL 369 CO 0.00 0.38 -0.03 0.24 0.02 0.00 0.00 177.57 178.19 1xnj h MET 370 N 0.96 0.00 0.00 1.57 2.86 0.16 -2.00 114.93 118.48 1xnj h MET 370 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1xnj h MET 370 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xnj h MET 370 CO 0.01 0.03 -0.75 0.93 1.06 0.00 0.00 176.91 178.20 1xnj h GLU 371 N 0.00 0.00 0.00 1.72 5.08 -0.99 -3.47 114.58 116.92 1xnj h GLU 371 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1xnj h GLU 371 Cb 0.13 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.50 1xnj h GLU 371 CO 0.00 0.00 0.09 1.04 -1.00 0.00 0.00 179.01 179.15 1xnj n GLN 372 N -2.12 -2.07 -1.71 2.33 6.02 -0.75 -5.02 117.38 114.06 1xnj n GLN 372 Ca 0.03 -1.05 -0.29 0.00 -0.01 0.00 0.00 57.00 55.68 1xnj n GLN 372 Cb 0.45 -0.94 0.11 0.00 1.02 0.00 0.00 30.24 30.88 1xnj n GLN 372 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xnj s GLY 373 N -3.79 1.58 0.00 1.08 0.00 -1.26 -4.97 107.32 99.96 1xnj s GLY 373 Ca 0.42 -0.57 0.27 0.00 0.00 0.00 0.00 44.72 44.84 1xnj s GLY 373 CO 0.32 -0.05 1.68 1.22 0.00 0.00 0.00 173.10 176.26 1xnj n ASP 374 N -3.54 1.42 -4.39 1.64 9.92 -1.06 -4.68 116.55 115.86 1xnj n ASP 374 Ca 0.07 -1.35 -0.28 0.00 -0.53 0.00 0.00 54.79 52.70 1xnj n ASP 374 Cb 0.60 0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.99 1xnj n ASP 374 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1xnj s TRP 375 N -2.14 2.28 0.28 1.24 0.52 -0.76 -0.88 118.94 119.48 1xnj s TRP 375 Ca 0.34 -0.38 0.11 0.00 0.02 0.00 0.00 56.10 56.19 1xnj s TRP 375 Cb 0.20 -1.21 -0.05 0.00 -1.15 0.00 0.00 33.47 31.27 1xnj s TRP 375 CO 0.39 0.37 -0.12 -0.51 0.02 0.00 0.00 176.95 177.10 1xnj s LEU 376 N -2.20 2.83 -0.09 2.99 1.43 -0.10 -1.39 118.68 122.15 1xnj s LEU 376 Ca 0.15 -0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1xnj s LEU 376 Cb -0.09 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1xnj s LEU 376 CO 0.07 0.00 -0.05 -0.63 0.23 0.00 0.00 176.35 175.97 1xnj s ILE 377 N -2.45 0.74 0.24 -0.59 1.01 0.35 -1.46 121.20 119.04 1xnj s ILE 377 Ca 0.31 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1xnj s ILE 377 Cb -0.05 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1xnj s ILE 377 CO 0.17 0.31 0.09 -0.83 0.00 0.00 0.00 174.94 174.68 1xnj s GLY 378 N 1.60 1.56 0.00 6.18 0.00 0.40 -3.94 107.32 113.12 1xnj s GLY 378 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1xnj s GLY 378 CO -0.05 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.14 1xnj n GLY 379 N -0.88 -1.23 3.63 0.20 0.00 -1.07 0.60 105.19 106.44 1xnj n GLY 379 Ca -0.08 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 1xnj n GLY 379 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xnj s ASP 380 N -4.00 6.48 -0.23 1.61 -0.00 -0.41 -2.94 116.67 117.19 1xnj s ASP 380 Ca 0.00 0.59 -0.10 0.00 -0.00 0.00 0.00 52.55 53.04 1xnj s ASP 380 Cb 0.00 -2.29 -0.05 0.00 -0.00 0.00 0.00 42.92 40.58 1xnj s ASP 380 CO 0.00 -0.29 0.13 -0.22 -0.00 0.00 0.00 175.17 174.79 1xnj s LEU 381 N 2.25 3.98 -0.33 1.23 2.96 0.07 -1.09 118.68 127.75 1xnj s LEU 381 Ca 0.23 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1xnj s LEU 381 Cb -0.16 -2.06 0.06 0.00 0.50 0.00 0.00 46.19 44.54 1xnj s LEU 381 CO 0.09 0.08 0.06 -1.58 -1.32 0.00 0.00 176.35 173.68 1xnj s GLN 382 N 0.97 2.36 0.22 1.98 0.74 0.20 -4.79 119.66 121.34 1xnj s GLN 382 Ca 0.06 -1.37 -0.12 0.00 0.05 0.00 0.00 55.36 53.98 1xnj s GLN 382 Cb -0.13 -3.32 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 1xnj s GLN 382 CO 0.03 -0.73 0.59 0.08 -0.55 0.00 0.00 175.29 174.71 1xnj s VAL 383 N 1.25 4.86 0.00 1.34 1.01 -0.41 0.28 120.40 128.72 1xnj s VAL 383 Ca -0.02 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1xnj s VAL 383 Cb -0.20 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1xnj s VAL 383 CO -0.01 -0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.27 1xnj n LEU 384 N 0.09 0.00 -4.77 3.92 4.77 -0.74 -0.00 117.00 120.27 1xnj n LEU 384 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1xnj n LEU 384 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1xnj n LEU 384 CO 0.44 0.00 1.02 -1.81 -1.33 0.00 0.00 177.39 175.71 1xnj s ASP 385 N -0.27 6.05 0.46 -1.43 1.11 -1.26 -4.54 116.67 116.78 1xnj s ASP 385 Ca 0.00 2.80 -0.24 0.00 0.18 0.00 0.00 52.55 55.28 1xnj s ASP 385 Cb 0.00 -2.65 -0.08 0.00 1.07 0.00 0.00 42.92 41.27 1xnj s ASP 385 CO 0.00 -1.05 1.35 -0.60 1.18 0.00 0.00 175.17 176.06 1xnj s ARG 386 N -2.38 3.65 -0.24 8.23 3.52 -1.26 -4.91 118.95 125.57 1xnj s ARG 386 Ca 0.60 2.24 -0.17 0.00 -0.13 0.00 0.00 55.73 58.27 1xnj s ARG 386 Cb -0.41 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1xnj s ARG 386 CO 0.53 -0.78 0.45 0.08 -0.81 0.00 0.00 175.30 174.76 1xnj s VAL 387 N -1.27 5.14 0.01 7.11 1.01 -1.26 -5.01 120.40 126.12 1xnj s VAL 387 Ca 0.62 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1xnj s VAL 387 Cb -0.40 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1xnj s VAL 387 CO 0.50 0.16 -0.02 -0.31 0.00 0.00 0.00 175.10 175.44 1xnj s TYR 388 N 1.88 0.15 -0.23 5.22 1.51 -1.26 -5.06 117.35 119.55 1xnj s TYR 388 Ca 0.19 -0.19 0.12 0.00 -1.01 0.00 0.00 57.07 56.19 1xnj s TYR 388 Cb -0.15 -0.10 -0.17 0.00 -0.11 0.00 0.00 41.96 41.43 1xnj s TYR 388 CO 0.09 -0.06 0.36 0.91 -1.11 0.00 0.00 175.55 175.74 1xnj n TRP 389 N 2.55 0.00 -3.26 2.71 7.02 -1.26 -5.01 117.44 120.19 1xnj n TRP 389 Ca -0.16 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.15 1xnj n TRP 389 Cb 0.58 -0.17 0.06 0.00 -2.42 0.00 0.00 31.31 29.36 1xnj n TRP 389 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xnj n ASN 390 N -1.68 -4.85 0.00 -0.99 3.02 -1.26 -4.86 115.26 104.63 1xnj n ASN 390 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1xnj n ASN 390 Cb 0.27 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 1xnj n ASN 390 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1xnj n ASP 391 N -1.80 1.21 0.00 6.41 3.85 -1.26 -4.98 116.55 119.98 1xnj n ASP 391 Ca -0.01 -1.33 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 1xnj n ASP 391 Cb 0.55 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 1xnj n ASP 391 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xnj n GLY 392 N -0.16 0.49 0.00 6.12 0.00 -1.26 -4.89 105.19 105.49 1xnj n GLY 392 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xnj n GLY 392 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnj n LEU 393 N 0.00 0.00 0.30 0.99 4.77 -1.26 -4.72 117.00 117.08 1xnj n LEU 393 Ca 0.00 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 55.72 1xnj n LEU 393 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1xnj n LEU 393 CO 0.00 0.00 1.01 0.44 -1.33 0.00 0.00 177.39 177.51 1xnj h ASP 394 N 0.00 0.00 1.08 -1.43 3.32 -1.96 0.45 116.42 117.88 1xnj h ASP 394 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xnj h ASP 394 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1xnj h ASP 394 CO 0.00 0.00 -0.18 0.06 -1.72 0.00 0.00 179.24 177.40 1xnj h GLN 395 N 0.00 0.00 0.00 3.56 -0.00 -2.02 -2.67 115.11 113.98 1xnj h GLN 395 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xnj h GLN 395 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 1xnj h GLN 395 CO 0.00 0.18 -0.49 0.66 -0.00 0.00 0.00 178.83 179.18 1xnj n TYR 396 N -3.29 0.16 -2.84 0.06 4.01 0.16 -4.68 117.16 110.73 1xnj n TYR 396 Ca 0.01 0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.36 1xnj n TYR 396 Cb 0.44 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 39.08 1xnj n TYR 396 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1xnj n ARG 397 N -1.68 3.99 -3.00 -0.72 1.74 -1.01 -1.24 116.66 114.74 1xnj n ARG 397 Ca 0.05 -4.16 -0.35 0.00 -0.77 0.00 0.00 57.85 52.61 1xnj n ARG 397 Cb 0.37 -2.69 -0.06 0.00 -1.02 0.00 0.00 32.46 29.05 1xnj n ARG 397 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xnj s LEU 398 N -1.38 4.25 0.72 0.55 1.02 -1.26 -5.01 118.68 117.57 1xnj s LEU 398 Ca 0.35 1.52 -0.10 0.00 0.02 0.00 0.00 54.13 55.91 1xnj s LEU 398 Cb 0.04 -3.88 0.04 0.00 0.02 0.00 0.00 46.19 42.41 1xnj s LEU 398 CO 0.04 -0.07 1.09 0.42 0.02 0.00 0.00 176.35 177.84 1xnj s THR 399 N -1.70 2.98 0.38 5.49 -4.23 -1.26 -4.82 115.64 112.49 1xnj s THR 399 Ca 0.49 0.22 0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1xnj s THR 399 Cb -0.15 -3.30 0.22 0.00 1.34 0.00 0.00 72.50 70.61 1xnj s THR 399 CO 0.20 -0.38 1.98 -0.65 -0.54 0.00 0.00 174.62 175.23 1xnj h PRO 400 N -0.70 0.51 0.46 3.99 0.11 -1.94 -0.01 132.00 134.41 1xnj h PRO 400 Ca -0.45 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1xnj h PRO 400 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xnj h PRO 400 CO 0.64 0.43 -0.22 1.15 -0.21 0.00 0.00 178.00 179.79 1xnj h THR 401 N 0.51 0.55 -0.61 -1.15 2.02 -1.92 -1.61 112.91 110.70 1xnj h THR 401 Ca 0.12 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 67.34 1xnj h THR 401 Cb 0.12 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 67.03 1xnj h THR 401 CO -0.01 0.02 0.04 -0.33 0.37 0.00 0.00 175.52 175.61 1xnj h GLU 402 N -0.67 0.15 -0.37 6.66 5.08 -1.87 -0.60 114.58 122.97 1xnj h GLU 402 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1xnj h GLU 402 Cb 0.50 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1xnj h GLU 402 CO 0.10 0.10 0.13 -0.07 -1.00 0.00 0.00 179.01 178.27 1xnj h LEU 403 N 0.15 0.52 -0.95 1.33 3.38 -0.77 -1.43 115.31 117.53 1xnj h LEU 403 Ca 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1xnj h LEU 403 Cb 0.52 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1xnj h LEU 403 CO -0.49 0.56 0.25 0.11 0.09 0.00 0.00 178.44 178.96 1xnj h LYS 404 N 0.44 1.01 -0.66 1.13 1.57 -0.97 -1.45 116.57 117.64 1xnj h LYS 404 Ca 0.12 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1xnj h LYS 404 Cb 0.22 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1xnj h LYS 404 CO -0.01 0.84 0.37 0.37 -0.57 0.00 0.00 179.45 180.45 1xnj h GLN 405 N 0.99 0.66 -0.44 3.15 5.75 -0.40 -1.36 115.11 123.45 1xnj h GLN 405 Ca 0.23 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 1xnj h GLN 405 Cb 0.22 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1xnj h GLN 405 CO -0.02 0.44 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.36 1xnj h LYS 406 N 0.68 0.73 -0.03 1.69 1.63 -0.54 0.97 116.57 121.71 1xnj h LYS 406 Ca 0.30 -0.19 -0.13 0.00 -0.85 0.00 0.00 60.65 59.78 1xnj h LYS 406 Cb 0.18 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1xnj h LYS 406 CO -0.18 0.75 -0.56 0.74 -3.45 0.00 0.00 179.45 176.75 1xnj h PHE 407 N 0.68 0.11 -0.02 1.91 0.04 -0.99 -1.97 116.94 116.70 1xnj h PHE 407 Ca 0.13 -0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1xnj h PHE 407 Cb 0.45 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.59 1xnj h PHE 407 CO 0.02 0.63 -0.45 -0.22 -0.60 0.00 0.00 178.31 177.69 1xnj h LYS 408 N 0.06 0.33 -0.25 1.51 3.64 0.09 -1.07 116.57 120.88 1xnj h LYS 408 Ca -0.00 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1xnj h LYS 408 Cb 1.02 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1xnj h LYS 408 CO 0.08 1.02 0.18 -0.44 -2.27 0.00 0.00 179.45 178.02 1xnj h ASP 409 N -0.22 0.01 0.04 4.20 3.45 -0.85 0.78 116.42 123.82 1xnj h ASP 409 Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1xnj h ASP 409 Cb 1.16 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1xnj h ASP 409 CO 0.09 0.01 -0.04 0.23 -1.57 0.00 0.00 179.24 177.96 1xnj n MET 410 N -4.47 1.43 -3.76 3.56 2.81 -0.75 -4.97 117.12 110.98 1xnj n MET 410 Ca 0.03 -0.74 -0.28 0.00 -1.81 0.00 0.00 57.70 54.90 1xnj n MET 410 Cb 0.33 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1xnj n MET 410 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xnj n ASN 411 N -0.13 -5.46 -4.77 7.83 4.05 0.27 -4.92 115.26 112.12 1xnj n ASN 411 Ca 0.19 -0.67 -0.35 0.00 0.45 0.00 0.00 54.58 54.20 1xnj n ASN 411 Cb 0.32 -4.33 0.02 0.00 1.23 0.00 0.00 39.78 37.01 1xnj n ASN 411 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xnj s ALA 412 N -3.30 2.61 -0.80 5.20 0.00 -0.47 -4.84 121.76 120.17 1xnj s ALA 412 Ca 0.63 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.53 1xnj s ALA 412 Cb -0.30 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.58 1xnj s ALA 412 CO 0.77 -0.98 1.00 -0.40 0.00 0.00 0.00 175.76 176.16 1xnj n ASP 413 N -1.53 2.25 -3.64 0.00 3.85 -1.00 -4.90 116.55 111.58 1xnj n ASP 413 Ca 0.12 -1.72 -0.09 0.00 -0.71 0.00 0.00 54.79 52.39 1xnj n ASP 413 Cb 0.51 -0.10 -0.07 0.00 -1.35 0.00 0.00 41.12 40.11 1xnj n ASP 413 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xnj s ALA 414 N -0.86 -1.93 -0.17 2.12 0.00 -1.25 -4.93 121.76 114.72 1xnj s ALA 414 Ca 0.14 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1xnj s ALA 414 Cb 0.08 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.80 1xnj s ALA 414 CO 0.11 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.44 1xnj s VAL 415 N 0.97 2.38 -0.10 0.00 1.01 -1.26 -0.52 120.40 122.88 1xnj s VAL 415 Ca -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xnj s VAL 415 Cb -0.05 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1xnj s VAL 415 CO -0.11 0.52 -0.03 -0.94 0.00 0.00 0.00 175.10 174.54 1xnj s SER 416 N 1.13 4.91 -0.02 3.32 1.04 -0.22 -0.37 113.70 123.49 1xnj s SER 416 Ca 0.01 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1xnj s SER 416 Cb -0.14 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 1xnj s SER 416 CO -0.07 0.32 -0.06 0.00 0.98 0.00 0.00 173.24 174.40 1xnj s ALA 417 N -0.51 3.02 -0.24 5.32 0.00 0.63 0.19 121.76 130.16 1xnj s ALA 417 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1xnj s ALA 417 Cb -0.12 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.88 1xnj s ALA 417 CO 0.02 0.60 -0.05 0.12 0.00 0.00 0.00 175.76 176.45 1xnj s PHE 418 N -0.94 2.50 0.22 0.00 5.36 -0.09 -2.04 117.98 123.00 1xnj s PHE 418 Ca 0.16 -1.86 -0.27 0.00 -0.96 0.00 0.00 56.93 53.99 1xnj s PHE 418 Cb -0.11 -1.67 -0.09 0.00 -0.34 0.00 0.00 43.02 40.81 1xnj s PHE 418 CO 0.05 -0.79 0.87 -1.14 -1.46 0.00 0.00 175.22 172.75 1xnj s GLN 419 N 1.36 4.69 0.03 10.12 2.00 -1.26 -1.25 119.66 135.34 1xnj s GLN 419 Ca -0.05 1.31 -0.16 0.00 -2.00 0.00 0.00 55.36 54.47 1xnj s GLN 419 Cb -0.19 -3.20 0.03 0.00 0.80 0.00 0.00 33.01 30.45 1xnj s GLN 419 CO -0.07 0.51 0.35 -0.48 -0.50 0.00 0.00 175.29 175.10 1xnj s LEU 420 N -1.31 0.68 0.00 3.68 0.05 -1.26 -4.96 118.68 115.56 1xnj s LEU 420 Ca 0.40 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.54 1xnj s LEU 420 Cb -0.24 1.49 0.00 0.00 -2.05 0.00 0.00 46.19 45.39 1xnj s LEU 420 CO 0.28 -0.59 0.47 -2.11 -0.55 0.00 0.00 176.35 173.85 1xnj n ARG 421 N 0.73 -0.77 -4.41 1.48 1.85 -1.26 -1.53 116.66 112.74 1xnj n ARG 421 Ca -0.19 -0.49 -0.24 0.00 -1.00 0.00 0.00 57.85 55.93 1xnj n ARG 421 Cb 0.59 -0.95 -0.09 0.00 -1.05 0.00 0.00 32.46 30.95 1xnj n ARG 421 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1xnj s ASN 422 N -0.03 3.89 0.30 2.89 0.02 -1.26 -4.74 114.94 116.01 1xnj s ASN 422 Ca 0.00 -0.90 -0.28 0.00 -1.02 0.00 0.00 52.86 50.66 1xnj s ASN 422 Cb 0.00 -0.47 -0.14 0.00 0.02 0.00 0.00 41.25 40.66 1xnj s ASN 422 CO 0.00 0.03 0.97 -2.65 0.02 0.00 0.00 177.10 175.47 1xnj n PRO 423 N -0.68 1.26 -2.64 -0.60 -0.02 -1.26 -4.94 135.00 126.13 1xnj n PRO 423 Ca -0.06 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1xnj n PRO 423 Cb 0.60 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1xnj n PRO 423 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xnj s VAL 424 N -1.08 4.63 0.51 -1.45 1.01 -1.26 -5.06 120.40 117.70 1xnj s VAL 424 Ca 0.59 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.62 1xnj s VAL 424 Cb -0.70 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.43 1xnj s VAL 424 CO 0.60 -0.20 0.62 -1.38 0.00 0.00 0.00 175.10 174.74 1xnj s HIS 425 N 3.26 1.96 -1.12 5.22 -3.43 -1.26 -4.81 115.29 115.10 1xnj s HIS 425 Ca 0.45 -0.63 0.28 0.00 -0.80 0.00 0.00 55.06 54.36 1xnj s HIS 425 Cb -0.15 -2.20 1.26 0.00 -1.43 0.00 0.00 32.58 30.06 1xnj s HIS 425 CO 0.07 -0.73 1.92 0.09 -2.00 0.00 0.00 174.74 174.09 1xnj n ASN 426 N -1.98 0.00 -0.06 7.38 3.02 0.33 -2.25 115.26 121.71 1xnj n ASN 426 Ca 0.10 0.32 -0.11 0.00 -0.03 0.00 0.00 54.58 54.85 1xnj n ASN 426 Cb 0.61 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1xnj n ASN 426 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xnj h GLY 427 N 4.77 0.32 0.99 7.41 0.00 -1.88 -0.51 103.07 114.17 1xnj h GLY 427 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1xnj h GLY 427 CO 0.00 0.19 0.32 0.45 0.00 0.00 0.00 176.54 177.51 1xnj h HIS 428 N 0.11 0.79 -0.58 5.60 3.86 -1.88 -2.45 115.15 120.59 1xnj h HIS 428 Ca 0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1xnj h HIS 428 Cb 0.28 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1xnj h HIS 428 CO 0.01 0.56 0.38 0.00 0.86 0.00 0.00 177.93 179.75 1xnj h ALA 429 N 1.15 1.58 -0.90 2.45 0.00 -1.39 -0.12 119.26 122.03 1xnj h ALA 429 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xnj h ALA 429 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1xnj h ALA 429 CO -0.03 0.39 0.53 1.25 0.00 0.00 0.00 179.25 181.39 1xnj h LEU 430 N 0.79 1.09 -0.55 0.00 5.85 -0.61 0.25 115.31 122.13 1xnj h LEU 430 Ca 0.21 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1xnj h LEU 430 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1xnj h LEU 430 CO -0.05 0.84 0.15 -0.07 -0.34 0.00 0.00 178.44 178.97 1xnj h LEU 431 N 1.24 0.82 -0.73 2.25 4.07 -0.79 -0.72 115.31 121.45 1xnj h LEU 431 Ca 0.32 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.97 1xnj h LEU 431 Cb -0.04 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1xnj h LEU 431 CO -0.06 0.83 0.06 0.24 -1.08 0.00 0.00 178.44 178.43 1xnj h MET 432 N 0.77 1.03 -0.18 1.13 2.86 -0.91 -1.13 114.93 118.50 1xnj h MET 432 Ca 0.17 -0.29 -0.21 0.00 -2.06 0.00 0.00 59.70 57.32 1xnj h MET 432 Cb 0.32 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.87 1xnj h MET 432 CO -0.00 0.98 -0.71 1.96 1.06 0.00 0.00 176.91 180.19 1xnj h GLN 433 N 0.96 0.77 0.00 1.72 4.20 -0.41 -1.62 115.11 120.73 1xnj h GLN 433 Ca 0.18 -0.59 -0.17 0.00 0.06 0.00 0.00 58.65 58.13 1xnj h GLN 433 Cb 0.48 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1xnj h GLN 433 CO 0.02 1.20 -0.82 -0.44 -0.67 0.00 0.00 178.83 178.12 1xnj h ASP 434 N 0.55 0.03 -0.51 1.46 3.45 -1.02 -1.08 116.42 119.30 1xnj h ASP 434 Ca -0.03 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1xnj h ASP 434 Cb 1.33 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.07 1xnj h ASP 434 CO 0.15 0.83 0.16 0.74 -1.57 0.00 0.00 179.24 179.55 1xnj h THR 435 N 0.01 1.23 -0.62 0.35 2.02 -1.11 -0.64 112.91 114.15 1xnj h THR 435 Ca -0.01 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1xnj h THR 435 Cb 1.45 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1xnj h THR 435 CO 0.11 0.28 0.33 -0.74 0.37 0.00 0.00 175.52 175.88 1xnj h HIS 436 N 0.69 0.61 -0.49 3.16 -0.00 -1.18 -0.91 115.15 117.03 1xnj h HIS 436 Ca 0.16 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1xnj h HIS 436 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1xnj h HIS 436 CO 0.02 0.29 0.22 0.87 -0.00 0.00 0.00 177.93 179.33 1xnj h LYS 437 N 0.62 0.72 -0.54 5.26 6.56 -0.98 -1.71 116.57 126.49 1xnj h LYS 437 Ca 0.28 -0.11 -0.10 0.00 -1.06 0.00 0.00 60.65 59.66 1xnj h LYS 437 Cb 0.18 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1xnj h LYS 437 CO -0.18 0.61 -0.05 1.96 -2.06 0.00 0.00 179.45 179.73 1xnj h GLN 438 N 0.65 0.97 -0.40 3.15 4.20 -0.28 -1.20 115.11 122.21 1xnj h GLN 438 Ca 0.17 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.58 1xnj h GLN 438 Cb 0.14 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1xnj h GLN 438 CO -0.02 0.99 0.21 -0.07 -0.67 0.00 0.00 178.83 179.27 1xnj h LEU 439 N 0.88 0.32 -0.48 1.46 3.38 -0.86 -0.42 115.31 119.60 1xnj h LEU 439 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1xnj h LEU 439 Cb 0.59 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1xnj h LEU 439 CO 0.04 0.23 0.31 -0.07 0.09 0.00 0.00 178.44 179.04 1xnj h LEU 440 N 0.43 0.52 -1.51 1.67 3.38 -1.24 -1.36 115.31 117.20 1xnj h LEU 440 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xnj h LEU 440 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xnj h LEU 440 CO -0.11 0.38 -0.25 -0.08 0.09 0.00 0.00 178.44 178.47 1xnj h GLU 441 N 0.63 0.00 0.00 1.13 4.57 -0.98 -1.41 114.58 118.52 1xnj h GLU 441 Ca 0.18 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1xnj h GLU 441 Cb -0.05 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1xnj h GLU 441 CO -0.05 0.25 -0.01 0.00 -1.18 0.00 0.00 179.01 178.02 1xnj h ARG 442 N 0.00 0.00 0.00 1.92 3.08 -0.05 -3.47 114.38 115.86 1xnj h ARG 442 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xnj h ARG 442 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1xnj h ARG 442 CO 0.03 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1xnj n GLY 443 N 1.10 0.83 3.79 0.04 0.00 -0.53 -5.07 105.19 105.35 1xnj n GLY 443 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1xnj n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnj s TYR 444 N -1.42 3.30 -0.01 1.61 2.02 -0.63 -4.91 117.35 117.31 1xnj s TYR 444 Ca 0.00 1.65 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1xnj s TYR 444 Cb 0.00 -3.03 -0.00 0.00 -0.40 0.00 0.00 41.96 38.53 1xnj s TYR 444 CO 0.00 -0.42 0.01 0.54 -1.57 0.00 0.00 175.55 174.11 1xnj n ARG 445 N -0.24 2.83 -2.95 -0.62 5.12 -1.26 -4.20 116.66 115.34 1xnj n ARG 445 Ca 0.06 -0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 1xnj n ARG 445 Cb 0.51 -0.81 -0.00 0.00 -1.16 0.00 0.00 32.46 31.00 1xnj n ARG 445 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xnj n ARG 446 N -1.31 1.12 -1.92 5.56 1.74 -1.26 -5.03 116.66 115.56 1xnj n ARG 446 Ca -0.00 -3.37 -0.42 0.00 -0.77 0.00 0.00 57.85 53.30 1xnj n ARG 446 Cb 0.01 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 1xnj n ARG 446 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xnj s PRO 447 N -2.76 4.21 0.16 5.56 0.04 -1.26 -2.37 135.00 138.58 1xnj s PRO 447 Ca 0.35 2.40 0.11 0.00 0.04 0.00 0.00 61.00 63.90 1xnj s PRO 447 Cb 0.40 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1xnj s PRO 447 CO -0.03 -0.53 -0.25 0.08 0.04 0.00 0.00 177.00 176.31 1xnj s VAL 448 N 0.26 2.31 -0.17 -0.36 1.01 0.32 -4.95 120.40 118.81 1xnj s VAL 448 Ca 0.63 -1.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 1xnj s VAL 448 Cb -0.44 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1xnj s VAL 448 CO 0.42 -0.02 -0.05 -0.22 0.00 0.00 0.00 175.10 175.23 1xnj s LEU 449 N -2.38 3.08 -0.29 3.92 2.96 -0.84 -1.05 118.68 124.07 1xnj s LEU 449 Ca 0.18 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 1xnj s LEU 449 Cb -0.09 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1xnj s LEU 449 CO 0.08 0.11 0.32 -0.22 -1.32 0.00 0.00 176.35 175.32 1xnj s LEU 450 N 0.69 4.16 -0.39 -0.68 2.96 0.13 -0.17 118.68 125.38 1xnj s LEU 450 Ca -0.03 0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.80 1xnj s LEU 450 Cb -0.15 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1xnj s LEU 450 CO 0.02 -0.20 0.26 -0.22 -1.32 0.00 0.00 176.35 174.90 1xnj s LEU 451 N 1.97 4.89 -0.48 -0.68 2.96 0.46 -0.91 118.68 126.89 1xnj s LEU 451 Ca 0.12 -0.84 0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1xnj s LEU 451 Cb -0.16 -2.12 0.39 0.00 0.50 0.00 0.00 46.19 44.80 1xnj s LEU 451 CO 0.11 -0.39 1.04 1.57 -1.32 0.00 0.00 176.35 177.35 1xnj n HIS 452 N 5.11 3.50 -1.57 5.38 -0.00 -0.38 -1.91 115.22 125.35 1xnj n HIS 452 Ca -0.12 -3.44 -0.39 0.00 0.46 0.00 0.00 57.72 54.23 1xnj n HIS 452 Cb 0.47 -0.25 0.03 0.00 -0.12 0.00 0.00 29.99 30.13 1xnj n HIS 452 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1xnj n PRO 453 N -0.36 0.91 -3.08 1.57 -0.04 -1.18 -4.02 135.00 128.79 1xnj n PRO 453 Ca 0.35 0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 63.81 1xnj n PRO 453 Cb 0.57 -1.98 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 1xnj n PRO 453 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xnj s LEU 454 N -0.68 4.16 0.00 1.53 0.20 -0.58 -1.29 118.68 122.01 1xnj s LEU 454 Ca 0.70 1.39 0.00 0.00 0.69 0.00 0.00 54.13 56.91 1xnj s LEU 454 Cb -0.47 -3.95 0.00 0.00 -0.43 0.00 0.00 46.19 41.33 1xnj s LEU 454 CO 0.52 -0.13 0.53 0.61 -0.29 0.00 0.00 176.35 177.59 1xnj n GLY 455 N 0.02 -1.59 1.38 7.98 0.00 0.35 -4.84 105.19 108.49 1xnj n GLY 455 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1xnj n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnj n GLY 456 N -0.08 -0.81 3.42 -0.02 0.00 -1.07 -4.95 105.19 101.69 1xnj n GLY 456 Ca 0.00 -1.75 -0.47 0.00 0.00 0.00 0.00 46.02 43.80 1xnj n GLY 456 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xnj n TRP 457 N -2.48 -0.32 -3.91 1.61 -0.00 -1.26 -4.55 117.44 106.53 1xnj n TRP 457 Ca 0.06 0.90 -0.10 0.00 -0.00 0.00 0.00 57.50 58.36 1xnj n TRP 457 Cb 0.21 -1.99 -0.10 0.00 -0.00 0.00 0.00 31.31 29.42 1xnj n TRP 457 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1xnj s THR 458 N -1.06 0.10 0.71 5.87 -4.23 -1.26 -0.53 115.64 115.24 1xnj s THR 458 Ca 0.63 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 1xnj s THR 458 Cb -0.87 -0.47 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1xnj s THR 458 CO 0.57 -0.45 1.08 -1.59 -0.54 0.00 0.00 174.62 173.69 1xnj s LYS 459 N -1.61 2.67 0.30 3.99 -2.85 -1.26 -4.93 119.74 116.04 1xnj s LYS 459 Ca -0.13 1.17 0.05 0.00 -1.00 0.00 0.00 55.97 56.06 1xnj s LYS 459 Cb -0.07 -1.95 0.77 0.00 -2.06 0.00 0.00 37.83 34.52 1xnj s LYS 459 CO -0.00 -1.33 1.70 -0.44 0.10 0.00 0.00 175.35 175.38 1xnj h ASP 460 N -0.58 0.37 -0.16 0.03 3.32 -2.01 -1.30 116.42 116.10 1xnj h ASP 460 Ca -0.45 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xnj h ASP 460 Cb 1.23 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1xnj h ASP 460 CO 0.54 -0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1xnj n ASP 461 N -5.03 1.78 -4.80 6.45 3.85 -1.26 -4.92 116.55 112.62 1xnj n ASP 461 Ca 0.23 -1.70 -0.32 0.00 -0.71 0.00 0.00 54.79 52.28 1xnj n ASP 461 Cb 0.69 -0.10 0.03 0.00 -1.35 0.00 0.00 41.12 40.39 1xnj n ASP 461 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xnj s ASP 462 N -1.62 5.50 0.17 -1.12 1.11 -0.49 -5.00 116.67 115.21 1xnj s ASP 462 Ca 0.33 1.82 -0.32 0.00 0.18 0.00 0.00 52.55 54.57 1xnj s ASP 462 Cb 0.18 -2.53 -0.11 0.00 1.07 0.00 0.00 42.92 41.54 1xnj s ASP 462 CO 0.28 -1.36 1.61 -0.69 1.18 0.00 0.00 175.17 176.18 1xnj s VAL 463 N -2.56 2.47 0.45 -1.27 1.01 -1.26 -4.94 120.40 114.30 1xnj s VAL 463 Ca 0.63 0.33 -0.25 0.00 0.00 0.00 0.00 61.98 62.69 1xnj s VAL 463 Cb -0.17 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 1xnj s VAL 463 CO 0.42 0.03 1.33 -2.65 0.00 0.00 0.00 175.10 174.23 1xnj n PRO 464 N 4.01 2.00 -0.33 2.72 -0.02 -1.26 -4.72 135.00 137.41 1xnj n PRO 464 Ca 0.14 0.72 0.03 0.00 -2.02 0.00 0.00 63.50 62.37 1xnj n PRO 464 Cb 0.38 -2.49 0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1xnj n PRO 464 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xnj h LEU 465 N 2.07 -0.95 -0.14 2.45 5.85 -1.92 -0.46 115.31 122.22 1xnj h LEU 465 Ca -0.49 0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1xnj h LEU 465 Cb 1.29 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 42.86 1xnj h LEU 465 CO 0.60 -0.30 -0.24 -0.03 -0.34 0.00 0.00 178.44 178.13 1xnj h MET 466 N -0.01 -0.29 -0.81 1.25 4.05 -2.00 0.44 114.93 117.56 1xnj h MET 466 Ca 0.42 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.90 1xnj h MET 466 Cb 0.66 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.47 1xnj h MET 466 CO -0.94 -0.19 0.52 -1.49 0.23 0.00 0.00 176.91 175.03 1xnj h TRP 467 N -0.30 0.96 -0.51 1.39 4.06 -1.82 -0.98 115.95 118.75 1xnj h TRP 467 Ca 0.10 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.98 1xnj h TRP 467 Cb 0.46 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 1xnj h TRP 467 CO -0.34 0.54 -0.08 0.00 -3.56 0.00 0.00 178.44 174.99 1xnj h ARG 468 N 0.99 0.95 -0.72 0.49 3.08 0.21 -0.31 114.38 119.08 1xnj h ARG 468 Ca 0.33 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1xnj h ARG 468 Cb 0.04 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1xnj h ARG 468 CO -0.12 1.01 0.43 0.52 -1.07 0.00 0.00 179.97 180.74 1xnj h MET 469 N 0.82 0.78 -0.76 0.04 2.86 0.65 -0.21 114.93 119.12 1xnj h MET 469 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1xnj h MET 469 Cb 0.64 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1xnj h MET 469 CO 0.04 0.52 0.42 0.87 1.06 0.00 0.00 176.91 179.82 1xnj h LYS 470 N 0.80 1.05 -0.36 1.72 1.57 -1.05 0.32 116.57 120.62 1xnj h LYS 470 Ca 0.31 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1xnj h LYS 470 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1xnj h LYS 470 CO -0.15 0.76 -0.38 0.37 -0.57 0.00 0.00 179.45 179.48 1xnj h GLN 471 N 1.05 0.86 -0.10 3.15 -0.00 -0.31 -2.62 115.11 117.15 1xnj h GLN 471 Ca 0.27 -0.45 -0.20 0.00 -0.00 0.00 0.00 58.65 58.27 1xnj h GLN 471 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.51 1xnj h GLN 471 CO -0.04 1.09 -0.75 0.45 0.00 0.00 0.00 178.83 179.58 1xnj h HIS 472 N 0.71 0.70 -1.04 3.99 -0.00 -0.74 -2.37 115.15 116.40 1xnj h HIS 472 Ca 0.06 -0.31 0.26 0.00 -0.00 0.00 0.00 60.37 60.38 1xnj h HIS 472 Cb 0.96 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 28.16 1xnj h HIS 472 CO 0.06 1.09 0.66 0.00 -0.00 0.00 0.00 177.93 179.74 1xnj h ALA 473 N 0.82 2.15 -0.03 2.45 0.00 -0.18 -1.22 119.26 123.25 1xnj h ALA 473 Ca -0.04 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1xnj h ALA 473 Cb 1.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xnj h ALA 473 CO 0.14 -0.57 -0.85 0.00 0.00 0.00 0.00 179.25 177.97 1xnj h ALA 474 N 1.64 0.48 -0.12 0.00 0.00 -1.08 0.56 119.26 120.74 1xnj h ALA 474 Ca 0.61 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xnj h ALA 474 Cb 1.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1xnj h ALA 474 CO -0.33 0.81 -0.18 0.28 0.00 0.00 0.00 179.25 179.83 1xnj h VAL 475 N 0.23 1.19 0.18 0.00 2.07 -0.77 -1.46 116.25 117.70 1xnj h VAL 475 Ca -0.06 -0.86 -0.29 0.00 0.82 0.00 0.00 66.70 66.31 1xnj h VAL 475 Cb 1.46 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1xnj h VAL 475 CO 0.14 0.26 -1.35 -0.07 0.02 0.00 0.00 177.57 176.57 1xnj h LEU 476 N 0.18 0.60 -1.54 2.57 3.38 -0.95 0.06 115.31 119.62 1xnj h LEU 476 Ca 0.03 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.16 1xnj h LEU 476 Cb 0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1xnj h LEU 476 CO 0.03 1.63 0.42 -0.08 0.09 0.00 0.00 178.44 180.52 1xnj h GLU 477 N -0.09 0.53 -0.00 1.13 4.81 0.66 0.17 114.58 121.78 1xnj h GLU 477 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1xnj h GLU 477 Cb 1.93 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.19 1xnj h GLU 477 CO 0.18 0.35 -0.00 0.39 -0.73 0.00 0.00 179.01 179.20 1xnj n GLU 478 N -4.48 0.56 -1.14 1.92 -0.58 -0.60 -4.93 120.64 111.40 1xnj n GLU 478 Ca 0.10 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1xnj n GLU 478 Cb 0.30 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1xnj n GLU 478 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xnj n GLY 479 N 1.22 0.76 0.27 0.62 0.00 0.61 -4.90 105.19 103.78 1xnj n GLY 479 Ca 0.17 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1xnj n GLY 479 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xnj h VAL 480 N 0.00 1.27 -3.84 1.61 2.07 -1.20 -3.40 116.25 112.76 1xnj h VAL 480 Ca -0.10 -1.34 -0.68 0.00 0.82 0.00 0.00 66.70 65.40 1xnj h VAL 480 Cb 0.36 1.15 -0.20 0.00 -1.52 0.00 0.00 31.29 31.08 1xnj h VAL 480 CO 0.15 0.45 -0.78 -0.76 0.02 0.00 0.00 177.57 176.65 1xnj s LEU 481 N -8.98 2.77 -0.31 2.57 1.43 -1.23 -4.98 118.68 109.94 1xnj s LEU 481 Ca -0.10 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1xnj s LEU 481 Cb 0.13 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1xnj s LEU 481 CO 0.85 0.25 1.13 0.21 0.23 0.00 0.00 176.35 179.02 1xnj s ASN 482 N -1.56 6.87 0.49 2.29 3.84 -1.26 -4.48 114.94 121.13 1xnj s ASN 482 Ca 0.16 1.10 0.16 0.00 0.21 0.00 0.00 52.86 54.49 1xnj s ASN 482 Cb -0.11 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.22 1xnj s ASN 482 CO 0.07 -0.93 2.08 -0.65 -2.79 0.00 0.00 177.10 174.88 1xnj h PRO 483 N 8.37 0.00 0.00 0.43 0.11 -1.89 -1.93 132.00 137.09 1xnj h PRO 483 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1xnj h PRO 483 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xnj h PRO 483 CO 1.03 0.08 0.00 0.93 -0.21 0.00 0.00 178.00 179.83 1xnj h GLU 484 N 0.00 0.00 -0.39 1.05 4.39 -1.99 -3.16 114.58 114.48 1xnj h GLU 484 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1xnj h GLU 484 Cb 0.15 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.58 1xnj h GLU 484 CO 0.01 0.00 -0.61 0.25 -1.16 0.00 0.00 179.01 177.50 1xnj n THR 485 N -2.42 2.40 -3.69 1.13 -2.24 -0.73 -5.00 114.28 103.73 1xnj n THR 485 Ca 0.05 -3.69 -0.16 0.00 -2.27 0.00 0.00 64.05 57.99 1xnj n THR 485 Cb 0.43 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 1xnj n THR 485 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xnj s THR 486 N -3.91 -0.21 -0.12 4.28 2.01 -1.18 -1.99 115.64 114.53 1xnj s THR 486 Ca 0.45 0.30 -0.11 0.00 0.31 0.00 0.00 61.69 62.64 1xnj s THR 486 Cb 0.39 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.56 1xnj s THR 486 CO -0.01 0.13 0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 1xnj s VAL 487 N 1.99 5.35 -0.18 3.82 1.01 0.76 -4.87 120.40 128.27 1xnj s VAL 487 Ca -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1xnj s VAL 487 Cb -0.12 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1xnj s VAL 487 CO -0.06 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 1xnj s VAL 488 N -0.49 2.96 0.16 2.92 1.01 -1.26 -0.41 120.40 125.29 1xnj s VAL 488 Ca 0.16 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1xnj s VAL 488 Cb -0.13 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1xnj s VAL 488 CO 0.05 0.48 0.38 0.00 0.00 0.00 0.00 175.10 176.02 1xnj s ALA 489 N 1.03 -0.50 -0.23 5.51 0.00 -0.80 -4.86 121.76 121.91 1xnj s ALA 489 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1xnj s ALA 489 Cb -0.15 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1xnj s ALA 489 CO -0.02 -0.69 0.03 0.42 0.00 0.00 0.00 175.76 175.50 1xnj s ILE 490 N -3.90 4.01 -0.25 0.00 1.01 -0.38 -3.12 121.20 118.58 1xnj s ILE 490 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1xnj s ILE 490 Cb 0.02 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1xnj s ILE 490 CO -0.04 0.38 1.15 0.12 0.00 0.00 0.00 174.94 176.55 1xnj s PHE 491 N 1.47 3.06 -1.79 3.97 5.36 -0.41 -4.43 117.98 125.20 1xnj s PHE 491 Ca 0.05 1.19 0.26 0.00 -0.96 0.00 0.00 56.93 57.48 1xnj s PHE 491 Cb -0.15 -3.53 1.48 0.00 -0.34 0.00 0.00 43.02 40.48 1xnj s PHE 491 CO 0.01 -1.06 1.91 -0.35 -1.46 0.00 0.00 175.22 174.28 1xnj n PRO 492 N 6.69 0.66 -2.22 10.12 -0.04 -1.26 -0.50 135.00 148.45 1xnj n PRO 492 Ca 0.13 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 1xnj n PRO 492 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1xnj n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xnj s SER 493 N -2.21 6.81 0.59 3.54 0.15 -1.26 -3.69 113.70 117.63 1xnj s SER 493 Ca 0.34 2.53 -0.19 0.00 0.70 0.00 0.00 55.95 59.34 1xnj s SER 493 Cb 0.18 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1xnj s SER 493 CO 0.34 -0.49 0.90 -2.65 1.20 0.00 0.00 173.24 172.54 1xnj n PRO 494 N 0.71 0.86 -3.26 5.44 -0.02 -1.26 -2.60 135.00 134.88 1xnj n PRO 494 Ca 0.01 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 1xnj n PRO 494 Cb 0.43 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1xnj n PRO 494 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xnj s MET 495 N -2.62 4.26 -0.10 -0.52 1.75 0.31 -4.84 119.30 117.53 1xnj s MET 495 Ca 0.74 0.67 0.20 0.00 -1.25 0.00 0.00 55.69 56.06 1xnj s MET 495 Cb -0.43 -3.32 -0.29 0.00 2.84 0.00 0.00 34.83 33.63 1xnj s MET 495 CO 0.49 0.42 0.31 -1.33 -0.65 0.00 0.00 175.02 174.26 1xnj n MET 496 N 2.57 0.67 -3.55 4.11 2.81 -1.26 -4.75 117.12 117.72 1xnj n MET 496 Ca -0.08 -0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 55.46 1xnj n MET 496 Cb 0.51 -1.53 0.05 0.00 -0.71 0.00 0.00 33.22 31.54 1xnj n MET 496 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xnj n TYR 497 N -2.50 -2.08 -0.66 2.03 4.01 -1.26 -4.63 117.16 112.06 1xnj n TYR 497 Ca -0.17 0.64 0.06 0.00 -0.16 0.00 0.00 57.90 58.27 1xnj n TYR 497 Cb 0.84 -3.81 0.09 0.00 -0.31 0.00 0.00 39.34 36.15 1xnj n TYR 497 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xnj n ALA 498 N -3.90 2.16 -0.87 -0.72 0.00 -1.12 -4.81 120.51 111.26 1xnj n ALA 498 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1xnj n ALA 498 Cb 0.61 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1xnj n ALA 498 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 499 N -1.07 2.90 0.30 0.00 0.00 0.04 -2.00 105.19 105.36 1xnj n GLY 499 Ca 0.10 -0.31 0.17 0.00 0.00 0.00 0.00 46.02 45.97 1xnj n GLY 499 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnj h PRO 500 N 0.00 0.00 -0.05 1.61 0.13 -1.89 0.14 132.00 131.95 1xnj h PRO 500 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1xnj h PRO 500 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xnj h PRO 500 CO 0.00 0.03 -0.03 1.15 -0.23 0.00 0.00 178.00 178.92 1xnj h THR 501 N 0.00 1.35 -0.48 1.56 2.02 -1.68 -3.32 112.91 112.35 1xnj h THR 501 Ca -0.00 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 1xnj h THR 501 Cb 0.13 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1xnj h THR 501 CO 0.00 0.30 0.07 -0.08 0.37 0.00 0.00 175.52 176.18 1xnj h GLU 502 N -0.31 0.75 -0.52 6.66 4.81 -1.24 -3.07 114.58 121.65 1xnj h GLU 502 Ca 0.01 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1xnj h GLU 502 Cb 0.49 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1xnj h GLU 502 CO 0.01 0.72 0.18 -0.24 -0.73 0.00 0.00 179.01 178.95 1xnj h VAL 503 N 0.72 1.20 -0.97 0.32 3.04 -1.09 0.19 116.25 119.65 1xnj h VAL 503 Ca 0.15 -0.66 0.05 0.00 -1.01 0.00 0.00 66.70 65.23 1xnj h VAL 503 Cb 0.34 0.61 -0.06 0.00 -2.01 0.00 0.00 31.29 30.17 1xnj h VAL 503 CO 0.01 0.25 0.63 1.56 -1.01 0.00 0.00 177.57 179.02 1xnj h GLN 504 N 0.75 1.15 -0.26 4.17 4.20 -1.64 -1.17 115.11 122.31 1xnj h GLN 504 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1xnj h GLN 504 Cb 0.19 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1xnj h GLN 504 CO -0.01 0.76 0.11 2.35 -0.67 0.00 0.00 178.83 181.38 1xnj h TRP 505 N 1.19 0.38 -0.66 2.96 2.91 -0.75 -0.08 115.95 121.90 1xnj h TRP 505 Ca 0.40 -0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.53 1xnj h TRP 505 Cb 0.07 -0.12 -0.11 0.00 -0.51 0.00 0.00 29.16 28.50 1xnj h TRP 505 CO -0.00 0.38 0.04 0.45 -1.03 0.00 0.00 178.44 178.27 1xnj h HIS 506 N 0.28 0.02 0.10 2.65 3.86 -0.74 -1.57 115.15 119.75 1xnj h HIS 506 Ca 0.09 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1xnj h HIS 506 Cb 0.15 0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1xnj h HIS 506 CO -0.01 -0.16 -0.05 0.00 0.86 0.00 0.00 177.93 178.57 1xnj h ARG 508 N -0.91 0.76 -0.79 0.00 -0.00 -0.93 0.11 114.38 112.62 1xnj h ARG 508 Ca -0.01 -0.05 0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1xnj h ARG 508 Cb 0.54 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.97 30.29 1xnj h ARG 508 CO 0.02 0.50 0.52 0.00 -0.00 0.00 0.00 179.97 181.01 1xnj h ALA 509 N 1.64 1.02 0.00 0.08 0.00 -1.32 -1.53 119.26 119.15 1xnj h ALA 509 Ca 0.57 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.31 1xnj h ALA 509 Cb 0.87 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xnj h ALA 509 CO -0.37 0.38 -0.59 0.00 0.00 0.00 0.00 179.25 178.66 1xnj h ARG 510 N 1.04 0.00 -0.81 0.00 -0.00 -0.93 -2.63 114.38 111.04 1xnj h ARG 510 Ca 0.30 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.76 1xnj h ARG 510 Cb -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.86 1xnj h ARG 510 CO -0.08 0.59 0.45 1.98 0.00 0.00 0.00 179.97 182.91 1xnj h MET 511 N 0.00 1.13 0.00 0.04 4.05 -0.51 -0.27 114.93 119.37 1xnj h MET 511 Ca -0.01 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1xnj h MET 511 Cb 1.10 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1xnj h MET 511 CO 0.08 0.83 -0.31 0.28 0.23 0.00 0.00 176.91 178.02 1xnj h VAL 512 N 1.13 1.19 -0.03 -5.77 2.07 -0.94 -2.05 116.25 111.86 1xnj h VAL 512 Ca 0.29 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1xnj h VAL 512 Cb 0.03 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1xnj h VAL 512 CO -0.05 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1xnj n ALA 513 N -2.47 2.58 0.00 1.67 0.00 -0.82 -4.78 120.51 116.69 1xnj n ALA 513 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1xnj n ALA 513 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1xnj n ALA 513 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 514 N 1.14 1.18 3.77 0.00 0.00 -0.71 -4.15 105.19 106.41 1xnj n GLY 514 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1xnj n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnj s ALA 515 N -2.00 3.26 -0.59 4.61 0.00 -0.19 -4.69 121.76 122.16 1xnj s ALA 515 Ca 0.00 0.88 0.13 0.00 0.00 0.00 0.00 51.96 52.97 1xnj s ALA 515 Cb 0.00 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 1xnj s ALA 515 CO 0.00 -0.29 0.55 0.09 0.00 0.00 0.00 175.76 176.11 1xnj n ASN 516 N 0.54 0.71 -3.80 0.00 4.13 0.50 -4.65 115.26 112.68 1xnj n ASN 516 Ca 0.02 -0.76 -0.13 0.00 1.68 0.00 0.00 54.58 55.39 1xnj n ASN 516 Cb 0.46 1.04 -0.13 0.00 -1.54 0.00 0.00 39.78 39.62 1xnj n ASN 516 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1xnj s PHE 517 N -2.30 -0.18 -0.24 3.10 0.40 -0.39 -1.56 117.98 116.81 1xnj s PHE 517 Ca 0.04 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1xnj s PHE 517 Cb 0.10 0.04 0.06 0.00 0.51 0.00 0.00 43.02 43.73 1xnj s PHE 517 CO 0.55 -0.10 -0.03 -0.47 0.70 0.00 0.00 175.22 175.86 1xnj s TYR 518 N 0.29 2.23 -0.10 0.36 5.04 -0.56 -0.27 117.35 124.34 1xnj s TYR 518 Ca -0.02 -1.68 -0.27 0.00 -2.44 0.00 0.00 57.07 52.66 1xnj s TYR 518 Cb -0.03 -1.56 -0.02 0.00 0.35 0.00 0.00 41.96 40.70 1xnj s TYR 518 CO -0.01 -0.76 0.88 0.42 -1.34 0.00 0.00 175.55 174.74 1xnj s ILE 519 N 1.45 4.88 -0.05 3.14 1.01 -0.87 0.09 121.20 130.85 1xnj s ILE 519 Ca -0.04 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.39 1xnj s ILE 519 Cb -0.19 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1xnj s ILE 519 CO -0.07 0.09 0.01 0.54 0.00 0.00 0.00 174.94 175.51 1xnj s VAL 520 N 1.66 0.20 0.00 2.92 0.11 -0.46 -4.66 120.40 120.16 1xnj s VAL 520 Ca 0.43 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1xnj s VAL 520 Cb -0.18 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1xnj s VAL 520 CO 0.18 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1xnj n GLY 521 N 4.77 1.79 3.81 6.54 0.00 -1.26 -0.88 105.19 119.96 1xnj n GLY 521 Ca -0.14 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1xnj n GLY 521 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xnj s ARG 522 N 4.85 4.31 -1.43 1.61 1.04 -1.25 -4.44 118.95 123.64 1xnj s ARG 522 Ca 0.00 0.92 -0.06 0.00 -1.04 0.00 0.00 55.73 55.54 1xnj s ARG 522 Cb 0.00 -2.98 0.04 0.00 -2.04 0.00 0.00 34.95 29.97 1xnj s ARG 522 CO 0.00 0.45 0.78 -3.47 -0.04 0.00 0.00 175.30 173.02 1xnj n ASP 523 N 0.96 -2.59 -4.77 -2.89 4.64 -0.01 -4.86 116.55 107.03 1xnj n ASP 523 Ca -0.03 -0.83 -0.39 0.00 -1.38 0.00 0.00 54.79 52.15 1xnj n ASP 523 Cb 0.51 -3.82 -0.00 0.00 -1.04 0.00 0.00 41.12 36.77 1xnj n ASP 523 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1xnj s PRO 524 N -6.34 3.92 -0.36 -0.67 0.04 -1.26 -1.23 135.00 129.09 1xnj s PRO 524 Ca 0.30 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1xnj s PRO 524 Cb -0.15 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1xnj s PRO 524 CO 0.83 -0.53 0.00 0.00 0.04 0.00 0.00 177.00 177.35 1xnj n ALA 525 N 0.04 -0.05 -3.09 8.56 0.00 -1.26 -4.14 120.51 120.56 1xnj n ALA 525 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1xnj n ALA 525 Cb 0.44 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.62 1xnj n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnj n GLY 526 N -0.04 2.04 3.71 0.00 0.00 -0.37 -0.78 105.19 109.76 1xnj n GLY 526 Ca -0.03 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.74 1xnj n GLY 526 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xnj s MET 527 N -3.53 1.27 0.45 1.61 0.23 -1.26 -4.97 119.30 113.10 1xnj s MET 527 Ca 0.34 -0.66 -0.25 0.00 -1.03 0.00 0.00 55.69 54.10 1xnj s MET 527 Cb -0.03 0.46 -0.08 0.00 -1.53 0.00 0.00 34.83 33.65 1xnj s MET 527 CO 0.22 -0.58 1.38 -2.14 -2.03 0.00 0.00 175.02 171.88 1xnj s PRO 528 N -3.43 3.67 0.18 3.16 0.02 -1.26 -1.04 135.00 136.30 1xnj s PRO 528 Ca 0.10 2.32 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 1xnj s PRO 528 Cb -0.02 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.79 1xnj s PRO 528 CO 0.00 -0.79 1.43 -1.58 -0.33 0.00 0.00 177.00 175.73 1xnj s HIS 529 N -1.24 3.14 0.41 6.54 2.46 0.12 -4.65 115.29 122.08 1xnj s HIS 529 Ca 0.62 0.94 0.21 0.00 0.47 0.00 0.00 55.06 57.29 1xnj s HIS 529 Cb -0.42 -3.76 1.18 0.00 -0.13 0.00 0.00 32.58 29.45 1xnj s HIS 529 CO 0.53 -2.63 2.00 -1.35 -2.47 0.00 0.00 174.74 170.82 1xnj h PRO 530 N 6.10 0.00 0.10 2.88 0.11 -1.90 -1.65 132.00 137.65 1xnj h PRO 530 Ca -0.44 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.31 1xnj h PRO 530 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1xnj h PRO 530 CO 0.84 0.18 -2.04 0.39 -0.21 0.00 0.00 178.00 177.16 1xnj n GLU 531 N -3.91 0.74 -0.01 1.05 -0.58 -1.26 -4.51 120.64 112.16 1xnj n GLU 531 Ca -0.02 0.25 0.09 0.00 -0.42 0.00 0.00 57.16 57.06 1xnj n GLU 531 Cb 0.27 -1.69 -0.13 0.00 -0.57 0.00 0.00 31.44 29.32 1xnj n GLU 531 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1xnj n THR 532 N -3.42 0.00 -0.55 2.62 -2.24 -1.22 -4.98 114.28 104.49 1xnj n THR 532 Ca -0.33 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1xnj n THR 532 Cb 1.04 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1xnj n THR 532 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xnj n GLY 533 N 1.45 1.12 3.92 3.38 0.00 -0.62 -4.98 105.19 109.45 1xnj n GLY 533 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1xnj n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnj s LYS 534 N -0.22 1.96 0.30 1.61 1.02 -1.26 -4.62 119.74 118.53 1xnj s LYS 534 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1xnj s LYS 534 Cb 0.00 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 1xnj s LYS 534 CO 0.00 -1.47 1.45 -0.25 -0.92 0.00 0.00 175.35 174.16 1xnj n ASP 535 N -3.12 3.21 -0.13 2.83 8.00 -1.26 0.13 116.55 126.21 1xnj n ASP 535 Ca 0.09 1.17 -0.02 0.00 0.71 0.00 0.00 54.79 56.74 1xnj n ASP 535 Cb 0.61 -1.51 0.22 0.00 -0.02 0.00 0.00 41.12 40.41 1xnj n ASP 535 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xnj h LEU 536 N 3.84 0.75 -8.40 0.64 3.38 -1.35 -3.42 115.31 110.74 1xnj h LEU 536 Ca -0.46 -0.11 -0.50 0.00 0.09 0.00 0.00 57.88 56.89 1xnj h LEU 536 Cb 1.26 -0.19 -0.26 0.00 0.09 0.00 0.00 40.66 41.56 1xnj h LEU 536 CO 0.72 0.71 -0.81 -0.31 0.09 0.00 0.00 178.44 178.83 1xnj s TYR 537 N -5.29 1.47 0.33 1.13 1.51 -1.26 -4.98 117.35 110.26 1xnj s TYR 537 Ca -0.10 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 1xnj s TYR 537 Cb 0.16 -0.88 -0.10 0.00 -0.11 0.00 0.00 41.96 41.03 1xnj s TYR 537 CO 0.79 0.05 1.32 -2.00 -1.11 0.00 0.00 175.55 174.60 1xnj s GLU 538 N -1.07 4.35 0.24 -0.62 -6.30 -1.26 -4.94 118.70 109.09 1xnj s GLU 538 Ca 0.04 2.23 0.25 0.00 -2.50 0.00 0.00 54.97 54.99 1xnj s GLU 538 Cb -0.08 -3.07 0.89 0.00 0.00 0.00 0.00 34.13 31.87 1xnj s GLU 538 CO 0.01 -0.20 1.75 -0.35 0.02 0.00 0.00 175.26 176.49 1xnj n PRO 539 N 0.82 0.24 0.00 4.30 -0.04 -1.26 -1.81 135.00 137.26 1xnj n PRO 539 Ca 0.00 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1xnj n PRO 539 Cb 0.42 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1xnj n PRO 539 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnj n SER 540 N -2.28 1.03 0.09 3.54 3.41 -1.26 -0.83 113.62 117.32 1xnj n SER 540 Ca 0.04 -0.90 -0.01 0.00 -0.26 0.00 0.00 58.87 57.74 1xnj n SER 540 Cb 0.34 0.72 0.28 0.00 -0.26 0.00 0.00 64.21 65.29 1xnj n SER 540 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xnj h HIS 541 N 0.40 0.31 0.10 7.33 3.86 -1.75 -2.38 115.15 123.01 1xnj h HIS 541 Ca 0.00 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1xnj h HIS 541 Cb 0.54 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 1xnj h HIS 541 CO 0.00 0.54 -0.19 0.78 0.86 0.00 0.00 177.93 179.92 1xnj h GLY 542 N 1.02 -0.33 0.86 2.45 0.00 -1.78 0.14 103.07 105.42 1xnj h GLY 542 Ca 0.04 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1xnj h GLY 542 CO 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 176.54 176.42 1xnj h ALA 543 N 0.47 0.04 -0.59 3.60 0.00 -1.77 -1.10 119.26 119.90 1xnj h ALA 543 Ca 0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1xnj h ALA 543 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xnj h ALA 543 CO -0.11 -0.39 0.30 0.87 0.00 0.00 0.00 179.25 179.92 1xnj h LYS 544 N -0.10 0.54 -0.70 0.00 1.57 -1.30 -1.66 116.57 114.92 1xnj h LYS 544 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1xnj h LYS 544 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xnj h LYS 544 CO -0.00 0.36 0.18 0.28 -0.57 0.00 0.00 179.45 179.70 1xnj h VAL 545 N 0.56 1.26 -0.55 0.50 2.07 -0.65 -2.89 116.25 116.54 1xnj h VAL 545 Ca 0.27 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1xnj h VAL 545 Cb 0.21 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xnj h VAL 545 CO -0.20 0.36 0.01 -0.07 0.02 0.00 0.00 177.57 177.70 1xnj h LEU 546 N 1.04 0.94 -0.52 2.57 3.38 -0.84 -1.02 115.31 120.86 1xnj h LEU 546 Ca 0.22 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xnj h LEU 546 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xnj h LEU 546 CO -0.00 1.01 0.00 0.35 0.09 0.00 0.00 178.44 179.89 1xnj n THR 547 N -4.27 0.99 -0.20 0.22 -2.24 -0.66 -3.01 114.28 105.10 1xnj n THR 547 Ca 0.02 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1xnj n THR 547 Cb 0.32 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1xnj n THR 547 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1xnj n MET 548 N -1.96 1.51 -2.06 -0.78 0.00 -0.61 -5.05 117.12 108.17 1xnj n MET 548 Ca 0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 57.70 56.26 1xnj n MET 548 Cb 0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 33.22 32.47 1xnj n MET 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xnj s ALA 549 N -0.58 3.59 0.77 3.17 0.00 -0.49 -5.00 121.76 123.22 1xnj s ALA 549 Ca 0.00 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1xnj s ALA 549 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1xnj s ALA 549 CO 0.00 -0.70 1.11 -2.14 0.00 0.00 0.00 175.76 174.03 1xnj s PRO 550 N -0.66 2.13 0.00 0.00 0.02 -1.26 -3.83 135.00 131.40 1xnj s PRO 550 Ca 0.57 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1xnj s PRO 550 Cb -0.41 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1xnj s PRO 550 CO 0.45 -1.76 0.00 0.41 -0.33 0.00 0.00 177.00 175.77 1xnj n GLY 551 N -0.70 1.34 2.76 0.52 0.00 -1.26 -4.26 105.19 103.58 1xnj n GLY 551 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1xnj n GLY 551 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnj n LEU 552 N 0.00 6.48 0.09 0.99 4.77 -1.25 -4.33 117.00 123.74 1xnj n LEU 552 Ca 0.00 -5.04 -0.16 0.00 -0.03 0.00 0.00 56.01 50.78 1xnj n LEU 552 Cb 0.00 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.09 1xnj n LEU 552 CO 0.00 1.96 -0.14 0.16 -1.33 0.00 0.00 177.39 178.04 1xnj h ILE 553 N 2.25 1.39 -0.39 -0.08 3.07 -1.92 -3.22 117.51 118.60 1xnj h ILE 553 Ca 0.46 -2.99 -0.03 0.00 1.55 0.00 0.00 64.86 63.85 1xnj h ILE 553 Cb 0.36 2.88 -0.02 0.00 -0.27 0.00 0.00 36.82 39.77 1xnj h ILE 553 CO 1.20 0.87 0.04 0.35 -1.05 0.00 0.00 178.15 179.56 1xnj n THR 554 N -3.49 1.83 -3.99 0.16 -2.24 -1.26 -4.89 114.28 100.40 1xnj n THR 554 Ca -0.11 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.67 1xnj n THR 554 Cb 1.03 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 1xnj n THR 554 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1xnj s LEU 555 N -1.79 2.08 -0.13 3.22 0.05 -1.22 -4.71 118.68 116.19 1xnj s LEU 555 Ca 0.35 -0.71 -0.04 0.00 0.05 0.00 0.00 54.13 53.78 1xnj s LEU 555 Cb 0.27 0.42 -0.03 0.00 -2.05 0.00 0.00 46.19 44.80 1xnj s LEU 555 CO 0.10 -0.53 0.02 -0.70 -0.55 0.00 0.00 176.35 174.68 1xnj s GLU 556 N -3.04 3.44 -0.07 1.48 2.12 -0.60 -4.97 118.70 117.06 1xnj s GLU 556 Ca -0.01 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1xnj s GLU 556 Cb 0.01 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1xnj s GLU 556 CO -0.07 0.49 1.11 0.42 -0.54 0.00 0.00 175.26 176.67 1xnj s ILE 557 N -0.27 4.49 -0.46 -3.70 -1.09 -1.26 -1.50 121.20 117.41 1xnj s ILE 557 Ca 0.07 1.79 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1xnj s ILE 557 Cb -0.12 -4.15 0.12 0.00 -1.58 0.00 0.00 42.46 36.73 1xnj s ILE 557 CO 0.02 0.01 0.21 -0.69 -1.23 0.00 0.00 174.94 173.26 1xnj s VAL 558 N 2.05 2.69 0.09 2.92 1.01 0.11 -4.91 120.40 124.36 1xnj s VAL 558 Ca 0.53 -2.85 -0.05 0.00 0.00 0.00 0.00 61.98 59.61 1xnj s VAL 558 Cb -0.22 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1xnj s VAL 558 CO 0.21 -0.73 0.32 -2.16 0.00 0.00 0.00 175.10 172.73 1xnj s PRO 559 N 0.25 3.58 0.02 2.72 0.04 -1.26 -1.36 135.00 139.00 1xnj s PRO 559 Ca 0.14 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.06 1xnj s PRO 559 Cb -0.23 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1xnj s PRO 559 CO -0.03 0.55 -0.07 -0.06 0.04 0.00 0.00 177.00 177.43 1xnj s PHE 560 N -1.52 0.57 0.99 0.56 0.40 -0.06 -4.96 117.98 113.97 1xnj s PHE 560 Ca 0.36 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 1xnj s PHE 560 Cb -0.13 -0.35 0.18 0.00 0.51 0.00 0.00 43.02 43.23 1xnj s PHE 560 CO 0.23 -0.06 1.12 1.03 0.70 0.00 0.00 175.22 178.23 1xnj s ARG 561 N -1.05 0.48 0.18 0.44 0.52 -1.26 -3.86 118.95 114.40 1xnj s ARG 561 Ca -0.06 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 1xnj s ARG 561 Cb -0.07 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 1xnj s ARG 561 CO 0.00 -2.66 1.35 0.54 0.02 0.00 0.00 175.30 174.55 1xnj s VAL 562 N -3.10 3.18 0.08 3.52 0.11 -1.26 -4.77 120.40 118.16 1xnj s VAL 562 Ca 0.66 0.94 0.04 0.00 -2.93 0.00 0.00 61.98 60.68 1xnj s VAL 562 Cb -0.16 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1xnj s VAL 562 CO 0.56 0.12 0.01 0.00 -3.33 0.00 0.00 175.10 172.46 1xnj s ALA 563 N 0.39 3.33 0.22 1.54 0.00 -1.26 -1.16 121.76 124.82 1xnj s ALA 563 Ca 0.59 -1.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1xnj s ALA 563 Cb -0.37 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.54 1xnj s ALA 563 CO 0.36 0.70 0.63 0.00 0.00 0.00 0.00 175.76 177.46 1xnj s ALA 564 N -1.29 -1.25 -0.11 0.00 0.00 -0.60 -4.85 121.76 113.67 1xnj s ALA 564 Ca 0.25 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 1xnj s ALA 564 Cb -0.12 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1xnj s ALA 564 CO 0.18 -0.90 1.46 -0.47 0.00 0.00 0.00 175.76 176.02 1xnj s TYR 565 N -3.86 2.42 -0.09 0.00 5.04 -0.71 -1.52 117.35 118.63 1xnj s TYR 565 Ca 0.08 0.60 -0.18 0.00 -2.44 0.00 0.00 57.07 55.13 1xnj s TYR 565 Cb -0.03 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.52 1xnj s TYR 565 CO -0.01 -2.77 0.49 1.21 -1.34 0.00 0.00 175.55 173.12 1xnj s ASN 566 N 2.64 6.74 -0.17 4.32 3.84 0.69 -0.30 114.94 132.70 1xnj s ASN 566 Ca 0.64 0.88 -0.21 0.00 0.21 0.00 0.00 52.86 54.37 1xnj s ASN 566 Cb -0.28 -2.29 -0.23 0.00 -0.55 0.00 0.00 41.25 37.90 1xnj s ASN 566 CO 0.22 0.05 0.41 0.11 -2.79 0.00 0.00 177.10 175.10 1xnj h LYS 567 N 6.37 0.06 0.00 0.43 1.57 0.14 -2.62 116.57 122.52 1xnj h LYS 567 Ca -0.43 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1xnj h LYS 567 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xnj h LYS 567 CO 0.73 1.05 0.00 1.63 -0.57 0.00 0.00 179.45 182.29 1xnj n LYS 568 N -4.33 0.00 0.00 3.15 5.02 -1.26 -2.92 118.16 117.82 1xnj n LYS 568 Ca -0.26 0.76 0.11 0.00 -2.02 0.00 0.00 58.31 56.89 1xnj n LYS 568 Cb 0.70 -1.28 0.52 0.00 -0.02 0.00 0.00 35.03 34.95 1xnj n LYS 568 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xnj n LYS 569 N -2.09 0.24 -2.72 1.97 5.02 -1.26 -4.89 118.16 114.44 1xnj n LYS 569 Ca 0.00 0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 1xnj n LYS 569 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1xnj n LYS 569 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xnj n LYS 570 N -1.33 -3.20 -3.91 1.97 5.02 -1.00 -5.00 118.16 110.70 1xnj n LYS 570 Ca 0.09 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 57.02 1xnj n LYS 570 Cb 0.19 -5.16 -0.02 0.00 -0.02 0.00 0.00 35.03 30.02 1xnj n LYS 570 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1xnj s ARG 571 N -5.28 1.83 0.37 1.97 1.70 -1.12 -4.46 118.95 113.95 1xnj s ARG 571 Ca 0.18 -1.23 -0.26 0.00 -0.47 0.00 0.00 55.73 53.95 1xnj s ARG 571 Cb -0.08 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 1xnj s ARG 571 CO 0.22 -0.82 1.14 -1.64 -1.08 0.00 0.00 175.30 173.12 1xnj s MET 572 N -3.53 4.22 0.35 3.89 -1.94 -1.26 -0.22 119.30 120.81 1xnj s MET 572 Ca 0.17 1.79 -0.15 0.00 -1.71 0.00 0.00 55.69 55.78 1xnj s MET 572 Cb -0.04 -2.78 0.04 0.00 2.01 0.00 0.00 34.83 34.06 1xnj s MET 572 CO 0.10 -0.16 0.72 0.34 -0.01 0.00 0.00 175.02 176.01 1xnj s ASP 573 N -1.13 0.05 0.17 3.03 3.68 -0.57 -4.83 116.67 117.07 1xnj s ASP 573 Ca 0.54 -1.06 -0.26 0.00 2.13 0.00 0.00 52.55 53.90 1xnj s ASP 573 Cb -0.30 0.79 -0.08 0.00 -1.45 0.00 0.00 42.92 41.88 1xnj s ASP 573 CO 0.38 -1.54 0.79 -0.31 0.13 0.00 0.00 175.17 174.61 1xnj s TYR 574 N -2.83 3.91 0.35 -5.34 1.51 -1.26 -1.55 117.35 112.14 1xnj s TYR 574 Ca 0.17 1.65 -0.28 0.00 -1.01 0.00 0.00 57.07 57.60 1xnj s TYR 574 Cb -0.05 -2.78 -0.10 0.00 -0.11 0.00 0.00 41.96 38.93 1xnj s TYR 574 CO 0.11 0.51 1.26 -0.47 -1.11 0.00 0.00 175.55 175.86 1xnj s TYR 575 N -1.15 3.07 0.01 2.71 5.04 -0.31 -4.87 117.35 121.84 1xnj s TYR 575 Ca 0.36 1.47 0.05 0.00 -2.44 0.00 0.00 57.07 56.51 1xnj s TYR 575 Cb -0.23 -3.59 -0.02 0.00 0.35 0.00 0.00 41.96 38.47 1xnj s TYR 575 CO 0.27 -1.67 -0.17 0.34 -1.34 0.00 0.00 175.55 172.97 1xnj s ASP 576 N -0.68 2.00 0.05 4.32 3.68 -1.26 -4.89 116.67 119.89 1xnj s ASP 576 Ca 0.51 -0.37 -0.21 0.00 2.13 0.00 0.00 52.55 54.61 1xnj s ASP 576 Cb -0.37 -0.20 -0.10 0.00 -1.45 0.00 0.00 42.92 40.80 1xnj s ASP 576 CO 0.49 0.17 1.32 0.28 0.13 0.00 0.00 175.17 177.55 1xnj h SER 577 N 5.42 -0.77 -0.65 -0.34 0.02 -2.00 -2.77 113.55 112.46 1xnj h SER 577 Ca -0.38 0.06 -0.51 0.00 -0.84 0.00 0.00 61.79 60.12 1xnj h SER 577 Cb 1.16 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.88 1xnj h SER 577 CO 0.47 -0.40 1.66 -0.62 -1.14 0.00 0.00 176.83 176.80 1xnj n GLU 578 N -4.11 2.40 0.00 3.45 4.71 -1.26 -2.19 120.64 123.64 1xnj n GLU 578 Ca -0.07 -2.87 0.00 0.00 -0.01 0.00 0.00 57.16 54.21 1xnj n GLU 578 Cb 0.27 -3.61 0.00 0.00 -1.01 0.00 0.00 31.44 27.09 1xnj n GLU 578 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1xnj n HIS 579 N 11.35 0.00 -0.38 -0.32 8.25 -1.05 -5.01 115.22 128.06 1xnj n HIS 579 Ca 0.47 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 58.22 1xnj n HIS 579 Cb 0.46 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.03 1xnj n HIS 579 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xnj n HIS 580 N 0.00 0.11 0.02 4.41 -0.00 -0.93 0.10 115.22 118.93 1xnj n HIS 580 Ca 0.00 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1xnj n HIS 580 Cb 0.00 -0.43 -0.09 0.00 -0.12 0.00 0.00 29.99 29.36 1xnj n HIS 580 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xnj n GLU 581 N -3.32 0.63 0.25 1.57 4.71 -1.26 -3.63 120.64 119.59 1xnj n GLU 581 Ca 0.26 0.18 0.17 0.00 -0.01 0.00 0.00 57.16 57.76 1xnj n GLU 581 Cb 1.12 -1.78 0.89 0.00 -1.01 0.00 0.00 31.44 30.66 1xnj n GLU 581 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1xnj h ASP 582 N 0.00 0.00 -3.43 1.62 3.45 0.26 -3.45 116.42 114.87 1xnj h ASP 582 Ca -0.17 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.66 1xnj h ASP 582 Cb 1.57 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 40.15 1xnj h ASP 582 CO 0.04 0.00 -0.60 -0.36 -1.57 0.00 0.00 179.24 176.75 1xnj s PHE 583 N -4.53 3.15 -0.18 4.55 0.08 -1.24 0.82 117.98 120.63 1xnj s PHE 583 Ca -0.05 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 1xnj s PHE 583 Cb 0.14 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1xnj s PHE 583 CO 0.51 -0.07 0.04 -2.00 -0.10 0.00 0.00 175.22 173.60 1xnj s GLU 584 N 0.84 3.88 -0.21 0.44 2.12 0.59 -4.95 118.70 121.41 1xnj s GLU 584 Ca 0.03 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 1xnj s GLU 584 Cb -0.14 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1xnj s GLU 584 CO 0.02 0.23 0.51 -0.06 -0.54 0.00 0.00 175.26 175.43 1xnj s PHE 585 N 0.46 3.36 -0.54 5.30 0.08 -1.26 -1.75 117.98 123.63 1xnj s PHE 585 Ca 0.02 0.75 -0.05 0.00 0.12 0.00 0.00 56.93 57.77 1xnj s PHE 585 Cb -0.13 -2.67 0.14 0.00 -0.57 0.00 0.00 43.02 39.79 1xnj s PHE 585 CO 0.01 -0.12 0.36 0.42 -0.10 0.00 0.00 175.22 175.79 1xnj s ILE 586 N 1.70 3.76 1.08 0.64 1.01 -1.26 -5.05 121.20 123.08 1xnj s ILE 586 Ca 0.23 -2.43 -0.13 0.00 0.00 0.00 0.00 60.65 58.33 1xnj s ILE 586 Cb -0.15 -3.48 0.23 0.00 0.01 0.00 0.00 42.46 39.06 1xnj s ILE 586 CO 0.09 -0.81 1.07 -0.94 0.00 0.00 0.00 174.94 174.36 1xnj s SER 587 N 1.49 1.88 0.51 3.58 1.04 -1.26 -4.77 113.70 116.17 1xnj s SER 587 Ca 0.12 1.25 0.24 0.00 0.48 0.00 0.00 55.95 58.04 1xnj s SER 587 Cb -0.22 -1.95 1.37 0.00 0.10 0.00 0.00 66.02 65.33 1xnj s SER 587 CO -0.04 -3.60 2.07 1.23 0.98 0.00 0.00 173.24 173.88 1xnj h GLY 588 N -2.21 0.00 2.00 7.32 0.00 -2.00 -2.11 103.07 106.07 1xnj h GLY 588 Ca -0.57 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.57 1xnj h GLY 588 CO 0.55 0.00 -0.87 -0.84 0.00 0.00 0.00 176.54 175.38 1xnj h THR 589 N 0.00 1.51 -0.20 4.70 2.02 -2.00 -2.91 112.91 116.02 1xnj h THR 589 Ca -0.00 -3.11 -0.18 0.00 0.77 0.00 0.00 66.41 63.88 1xnj h THR 589 Cb 0.30 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1xnj h THR 589 CO 0.02 0.86 -0.61 -0.09 0.37 0.00 0.00 175.52 176.07 1xnj h ARG 590 N 0.00 0.68 -0.40 6.66 9.65 -1.76 -2.73 114.38 126.49 1xnj h ARG 590 Ca -0.01 -0.46 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 1xnj h ARG 590 Cb 1.66 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.29 1xnj h ARG 590 CO 0.11 1.08 0.13 0.52 2.80 0.00 0.00 179.97 184.62 1xnj h MET 591 N 0.51 0.62 -0.58 0.20 2.86 -1.41 -1.04 114.93 116.09 1xnj h MET 591 Ca -0.00 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1xnj h MET 591 Cb 1.19 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 1xnj h MET 591 CO 0.12 0.61 0.38 -0.09 1.06 0.00 0.00 176.91 179.00 1xnj h ARG 592 N 0.51 0.70 0.30 1.72 2.43 -1.50 -1.03 114.38 117.51 1xnj h ARG 592 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xnj h ARG 592 Cb 0.25 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1xnj h ARG 592 CO -0.01 0.46 -0.14 0.87 -1.51 0.00 0.00 179.97 179.65 1xnj h LYS 593 N 0.72 -0.38 -0.36 0.20 1.57 -1.34 -2.49 116.57 114.49 1xnj h LYS 593 Ca 0.22 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1xnj h LYS 593 Cb 0.00 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1xnj h LYS 593 CO -0.05 -0.06 0.05 -0.07 -0.57 0.00 0.00 179.45 178.75 1xnj h LEU 594 N -0.77 -0.03 -1.01 2.94 3.38 -0.84 -1.10 115.31 117.88 1xnj h LEU 594 Ca -0.04 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1xnj h LEU 594 Cb 0.50 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1xnj h LEU 594 CO 0.07 0.02 0.64 0.00 0.09 0.00 0.00 178.44 179.26 1xnj h ALA 595 N 1.28 1.46 0.08 1.53 0.00 -1.28 0.68 119.26 123.01 1xnj h ALA 595 Ca 0.17 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1xnj h ALA 595 Cb 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xnj h ALA 595 CO -0.24 0.34 -1.03 -0.09 0.00 0.00 0.00 179.25 178.24 1xnj h ARG 596 N 1.09 0.55 -0.61 0.00 2.43 -1.05 -2.69 114.38 114.10 1xnj h ARG 596 Ca 0.47 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1xnj h ARG 596 Cb 0.32 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1xnj h ARG 596 CO -0.22 1.30 0.00 0.39 -1.51 0.00 0.00 179.97 179.93 1xnj n GLU 597 N -3.94 0.78 -0.96 0.20 1.02 -0.45 -4.88 120.64 112.41 1xnj n GLU 597 Ca -0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1xnj n GLU 597 Cb 0.89 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.98 1xnj n GLU 597 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnj n GLY 598 N 0.15 0.50 0.00 0.62 0.00 -0.72 -4.97 105.19 100.77 1xnj n GLY 598 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xnj n GLY 598 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xnj n GLN 599 N -0.27 0.95 -4.16 1.61 6.02 0.23 -4.93 117.38 116.84 1xnj n GLN 599 Ca -0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.78 1xnj n GLN 599 Cb 0.39 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.51 1xnj n GLN 599 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xnj s LYS 600 N -1.04 0.44 0.88 -1.09 1.02 -1.26 -4.18 119.74 114.51 1xnj s LYS 600 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 1xnj s LYS 600 Cb 0.00 -0.41 0.12 0.00 -0.52 0.00 0.00 37.83 37.03 1xnj s LYS 600 CO 0.00 0.11 1.13 -2.30 -0.92 0.00 0.00 175.35 173.37 1xnj n PRO 601 N 2.81 -0.25 -0.64 -1.68 -0.02 -1.26 -4.97 135.00 129.00 1xnj n PRO 601 Ca -0.14 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.04 1xnj n PRO 601 Cb 0.58 -2.38 0.19 0.00 -0.02 0.00 0.00 33.50 31.87 1xnj n PRO 601 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xnj n PRO 602 N -3.82 -1.13 -2.24 0.52 -0.04 -1.26 -4.87 135.00 122.16 1xnj n PRO 602 Ca 0.12 -0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 1xnj n PRO 602 Cb 0.52 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1xnj n PRO 602 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xnj s GLU 603 N -4.28 3.87 0.00 0.54 2.12 -1.26 -2.42 118.70 117.27 1xnj s GLU 603 Ca 0.65 1.52 0.00 0.00 0.36 0.00 0.00 54.97 57.50 1xnj s GLU 603 Cb -0.22 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1xnj s GLU 603 CO 0.63 -1.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 1xnj n GLY 604 N 4.46 1.43 0.09 -1.50 0.00 -1.26 -4.51 105.19 103.90 1xnj n GLY 604 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1xnj n GLY 604 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xnj h PHE 605 N 0.00 -0.09 -3.29 1.61 3.57 -1.81 -3.37 116.94 113.56 1xnj h PHE 605 Ca 0.00 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1xnj h PHE 605 Cb 0.00 0.03 -0.29 0.00 2.79 0.00 0.00 35.95 38.48 1xnj h PHE 605 CO 0.00 0.44 -0.56 1.41 -2.23 0.00 0.00 178.31 177.37 1xnj s MET 606 N -2.68 0.15 -0.24 1.11 0.00 -1.26 -0.51 119.30 115.87 1xnj s MET 606 Ca -0.12 0.31 -0.43 0.00 0.00 0.00 0.00 55.69 55.45 1xnj s MET 606 Cb -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 34.83 34.59 1xnj s MET 606 CO 0.45 -0.09 1.40 0.00 0.00 0.00 0.00 175.02 176.78 1xnj n ALA 607 N 3.59 -2.04 -0.27 4.11 0.00 -1.26 -4.65 120.51 119.99 1xnj n ALA 607 Ca -0.19 0.53 0.06 0.00 0.00 0.00 0.00 53.44 53.83 1xnj n ALA 607 Cb 0.56 -1.91 0.17 0.00 0.00 0.00 0.00 19.45 18.27 1xnj n ALA 607 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xnj h PRO 608 N 4.47 0.10 -0.03 0.00 0.11 -1.99 0.58 132.00 135.24 1xnj h PRO 608 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1xnj h PRO 608 Cb 1.38 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1xnj h PRO 608 CO 0.84 0.07 -0.27 -0.22 -0.21 0.00 0.00 178.00 178.20 1xnj h LYS 609 N 0.10 0.05 -0.06 1.05 3.64 -1.88 -1.60 116.57 117.88 1xnj h LYS 609 Ca 0.43 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.73 1xnj h LYS 609 Cb 0.77 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1xnj h LYS 609 CO -0.68 0.32 -0.24 0.00 -2.27 0.00 0.00 179.45 176.57 1xnj h ALA 610 N 1.68 0.11 -0.88 5.00 0.00 -0.68 -1.78 119.26 122.70 1xnj h ALA 610 Ca 0.01 -0.41 0.24 0.00 0.00 0.00 0.00 54.91 54.74 1xnj h ALA 610 Cb 0.50 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 1xnj h ALA 610 CO 0.04 0.10 0.21 2.35 0.00 0.00 0.00 179.25 181.95 1xnj h TRP 611 N -0.26 0.30 -0.45 0.00 2.91 0.28 -1.78 115.95 116.95 1xnj h TRP 611 Ca -0.01 0.05 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 1xnj h TRP 611 Cb 0.89 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.53 1xnj h TRP 611 CO 0.13 -0.24 0.00 1.15 -1.03 0.00 0.00 178.44 178.45 1xnj h THR 612 N 0.18 1.26 -0.64 2.65 2.02 -0.79 -0.93 112.91 116.66 1xnj h THR 612 Ca 0.56 -1.04 0.09 0.00 0.77 0.00 0.00 66.41 66.78 1xnj h THR 612 Cb 1.13 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 1xnj h THR 612 CO -0.68 0.36 0.28 0.58 0.37 0.00 0.00 175.52 176.43 1xnj h VAL 613 N 0.64 0.82 -0.81 3.16 2.07 -0.56 0.30 116.25 121.87 1xnj h VAL 613 Ca 0.13 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1xnj h VAL 613 Cb 0.49 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1xnj h VAL 613 CO 0.02 0.09 0.49 -0.07 0.02 0.00 0.00 177.57 178.12 1xnj h LEU 614 N 0.50 0.98 -0.81 2.57 3.38 -0.43 0.14 115.31 121.64 1xnj h LEU 614 Ca 0.32 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1xnj h LEU 614 Cb 0.35 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1xnj h LEU 614 CO -0.28 0.76 0.52 0.71 0.09 0.00 0.00 178.44 180.24 1xnj h THR 615 N 1.12 1.12 -0.73 0.22 1.35 -0.19 2.78 112.91 118.58 1xnj h THR 615 Ca 0.29 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1xnj h THR 615 Cb -0.04 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 66.37 1xnj h THR 615 CO -0.05 0.18 0.45 -0.33 -0.25 0.00 0.00 175.52 175.52 1xnj h GLU 616 N 1.00 0.83 0.46 4.72 3.07 -0.03 0.23 114.58 124.87 1xnj h GLU 616 Ca 0.32 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1xnj h GLU 616 Cb 0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1xnj h GLU 616 CO -0.11 0.55 -0.22 -0.92 -1.40 0.00 0.00 179.01 176.91 1xnj h TYR 617 N 0.86 -0.57 -0.55 4.33 -0.00 0.28 -2.64 116.97 118.68 1xnj h TYR 617 Ca 0.30 -0.01 0.16 0.00 -0.00 0.00 0.00 58.73 59.18 1xnj h TYR 617 Cb 0.07 0.19 -0.02 0.00 -0.00 0.00 0.00 36.73 36.96 1xnj h TYR 617 CO -0.05 -0.26 0.41 1.88 -0.00 0.00 0.00 178.16 180.14 1xnj h TYR 618 N -0.85 0.00 0.39 -3.82 0.99 0.50 -1.16 116.97 113.01 1xnj h TYR 618 Ca -0.06 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1xnj h TYR 618 Cb 0.57 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.30 1xnj h TYR 618 CO 0.00 0.00 -0.19 -0.22 -0.00 0.00 0.00 178.16 177.75 1xnj h LYS 619 N 0.00 -0.51 0.00 4.88 1.63 -0.32 -2.68 116.57 119.58 1xnj h LYS 619 Ca 0.26 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1xnj h LYS 619 Cb 1.07 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1xnj h LYS 619 CO -0.00 -0.22 0.00 0.66 -3.45 0.00 0.00 179.45 176.44 1xnj h SER 620 N -0.76 0.00 -0.33 4.20 4.64 -0.95 -3.05 113.55 117.30 1xnj h SER 620 Ca -0.05 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1xnj h SER 620 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1xnj h SER 620 CO 0.09 0.00 -0.17 0.25 -0.87 0.00 0.00 176.83 176.13 1xnj h LEU 621 N 0.00 0.72 -8.35 5.97 6.46 -0.98 -3.36 115.31 115.76 1xnj h LEU 621 Ca 0.00 -0.41 -0.54 0.00 -0.12 0.00 0.00 57.88 56.81 1xnj h LEU 621 Cb 0.44 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 1xnj h LEU 621 CO 0.00 0.97 1.07 -1.61 -0.62 0.00 0.00 178.44 178.25 1xnj s GLU 622 N -4.60 3.20 0.00 1.25 0.41 -1.03 -5.11 118.70 112.82 1xnj s GLU 622 Ca -0.13 -0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 1xnj s GLU 622 Cb 0.09 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 1xnj s GLU 622 CO 0.81 -2.15 0.00 1.63 -0.49 0.00 0.00 175.26 175.06