#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjq s VAL 35 N 0.00 2.30 0.80 1.59 1.01 -1.26 -4.96 120.40 119.88 1xjq s VAL 35 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1xjq s VAL 35 Cb 0.00 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1xjq s VAL 35 CO 0.00 0.04 1.12 -0.94 0.00 0.00 0.00 175.10 175.32 1xjq s SER 36 N 0.34 4.09 0.26 3.32 1.04 -1.26 -4.79 113.70 116.70 1xjq s SER 36 Ca 0.60 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.99 1xjq s SER 36 Cb -0.45 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 63.58 1xjq s SER 36 CO 0.48 -2.32 1.83 0.03 0.98 0.00 0.00 173.24 174.24 1xjq h ARG 37 N -1.19 0.89 -0.74 4.02 3.08 -1.93 0.62 114.38 119.14 1xjq h ARG 37 Ca -0.44 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.59 1xjq h ARG 37 Cb 1.25 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 1xjq h ARG 37 CO 0.49 0.59 0.46 -0.97 -1.07 0.00 0.00 179.97 179.47 1xjq h ASN 38 N 0.92 0.76 0.97 7.04 -0.73 -1.99 -1.89 115.58 120.66 1xjq h ASN 38 Ca 0.44 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.40 1xjq h ASN 38 Cb 0.38 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 1xjq h ASN 38 CO -0.24 0.52 -1.06 0.11 -0.37 0.00 0.00 177.43 176.39 1xjq h LYS 39 N 0.90 0.00 0.00 6.67 1.57 -1.73 -3.00 116.57 120.98 1xjq h LYS 39 Ca 0.30 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1xjq h LYS 39 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xjq h LYS 39 CO -0.12 0.85 -0.46 0.00 -0.57 0.00 0.00 179.45 179.15 1xjq h ARG 40 N 0.00 0.00 0.00 3.15 3.08 -0.73 -2.86 114.38 117.02 1xjq h ARG 40 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xjq h ARG 40 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.81 1xjq h ARG 40 CO 0.11 0.46 0.00 0.78 -1.07 0.00 0.00 179.97 180.25 1xjq h GLY 41 N 1.40 0.00 2.00 0.04 0.00 -1.30 -1.46 103.07 103.75 1xjq h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xjq h GLY 41 CO 0.06 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.06 1xjq h GLN 42 N 0.00 0.00 0.00 4.80 1.08 -1.36 -3.29 115.11 116.34 1xjq h GLN 42 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xjq h GLN 42 Cb 0.86 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1xjq h GLN 42 CO 0.00 0.00 -0.71 1.33 -0.95 0.00 0.00 178.83 178.50 1xjq n VAL 43 N -2.79 0.00 -2.27 -0.54 0.24 -0.92 -4.90 118.33 107.15 1xjq n VAL 43 Ca 0.00 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.34 61.70 1xjq n VAL 43 Cb 0.21 0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 1xjq n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1xjq s VAL 44 N -1.74 3.85 0.12 3.34 1.01 -0.60 -4.88 120.40 121.51 1xjq s VAL 44 Ca -0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1xjq s VAL 44 Cb 0.01 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1xjq s VAL 44 CO 0.03 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1xjq n GLY 45 N 4.92 -2.00 0.09 4.51 0.00 -1.26 -4.67 105.19 106.77 1xjq n GLY 45 Ca 0.17 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.84 1xjq n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xjq n THR 46 N -2.77 0.87 -2.84 2.61 -2.24 -1.26 -4.87 114.28 103.78 1xjq n THR 46 Ca -0.01 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 1xjq n THR 46 Cb 0.17 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 1xjq n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xjq s ARG 47 N -3.12 4.63 0.70 -0.78 0.52 -1.26 -5.01 118.95 114.64 1xjq s ARG 47 Ca -0.03 1.30 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 1xjq s ARG 47 Cb 0.09 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.22 1xjq s ARG 47 CO 0.82 0.29 1.07 0.20 0.02 0.00 0.00 175.30 177.69 1xjq s GLY 48 N -0.20 1.72 0.00 -3.53 0.00 -1.26 -4.93 107.32 99.12 1xjq s GLY 48 Ca 0.43 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1xjq s GLY 48 CO 0.27 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.45 1xjq n GLY 49 N -1.74 1.49 3.71 0.20 0.00 -1.24 -4.96 105.19 102.64 1xjq n GLY 49 Ca 0.08 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1xjq n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xjq s PHE 50 N -1.75 3.51 -0.13 1.61 2.19 -1.26 -4.79 117.98 117.35 1xjq s PHE 50 Ca 0.00 1.49 0.22 0.00 0.33 0.00 0.00 56.93 58.97 1xjq s PHE 50 Cb 0.00 -3.27 0.46 0.00 -1.31 0.00 0.00 43.02 38.90 1xjq s PHE 50 CO 0.00 -0.64 1.15 2.89 1.83 0.00 0.00 175.22 180.45 1xjq n ARG 51 N 4.19 1.00 -2.11 10.12 1.85 -1.26 -5.00 116.66 125.45 1xjq n ARG 51 Ca 0.08 -2.80 -0.41 0.00 -1.00 0.00 0.00 57.85 53.72 1xjq n ARG 51 Cb 0.49 -0.87 -0.02 0.00 -1.05 0.00 0.00 32.46 31.00 1xjq n ARG 51 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xjq s GLY 52 N -2.87 2.83 0.14 2.89 0.00 -1.24 -4.43 107.32 104.65 1xjq s GLY 52 Ca 0.33 1.25 -0.24 0.00 0.00 0.00 0.00 44.72 46.07 1xjq s GLY 52 CO -0.10 1.99 1.08 0.00 0.00 0.00 0.00 173.10 176.06 1xjq s THR 54 N -2.28 0.63 -0.44 0.00 2.01 -0.83 -1.08 115.64 113.65 1xjq s THR 54 Ca 0.21 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 1xjq s THR 54 Cb -0.02 -0.65 0.09 0.00 0.01 0.00 0.00 72.50 71.93 1xjq s THR 54 CO 0.04 0.25 0.31 -0.69 -0.69 0.00 0.00 174.62 173.84 1xjq s VAL 55 N 1.04 4.41 -0.52 3.82 1.01 0.22 -0.80 120.40 129.58 1xjq s VAL 55 Ca -0.09 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 1xjq s VAL 55 Cb -0.14 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1xjq s VAL 55 CO -0.00 -0.59 0.47 0.86 0.00 0.00 0.00 175.10 175.83 1xjq s TRP 56 N 1.45 3.24 0.21 5.22 -0.11 0.70 -1.33 118.94 128.33 1xjq s TRP 56 Ca 0.04 -1.14 -0.22 0.00 1.22 0.00 0.00 56.10 56.00 1xjq s TRP 56 Cb -0.24 -3.57 -0.08 0.00 -1.50 0.00 0.00 33.47 28.08 1xjq s TRP 56 CO 0.02 -0.94 0.76 -0.51 -4.62 0.00 0.00 176.95 171.66 1xjq s LEU 57 N 1.66 4.42 -0.02 5.86 1.43 -0.33 -0.78 118.68 130.91 1xjq s LEU 57 Ca 0.04 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.52 1xjq s LEU 57 Cb -0.28 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1xjq s LEU 57 CO 0.05 0.08 0.31 0.28 0.23 0.00 0.00 176.35 177.30 1xjq s THR 58 N -1.42 0.05 0.00 5.49 -1.32 -0.42 -3.63 115.64 114.40 1xjq s THR 58 Ca 0.41 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1xjq s THR 58 Cb -0.19 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1xjq s THR 58 CO 0.23 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1xjq n GLY 59 N 1.41 2.41 3.49 6.08 0.00 -1.09 -1.08 105.19 116.41 1xjq n GLY 59 Ca -0.21 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1xjq n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjq n LEU 60 N 0.00 1.29 -4.68 0.99 4.77 -1.26 -4.36 117.00 113.75 1xjq n LEU 60 Ca 0.00 0.57 -0.45 0.00 -0.03 0.00 0.00 56.01 56.10 1xjq n LEU 60 Cb 0.00 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 39.79 1xjq n LEU 60 CO 0.00 -2.94 1.28 -0.24 -1.33 0.00 0.00 177.39 174.16 1xjq n SER 61 N -0.78 3.39 0.00 -1.43 2.88 -1.26 -1.51 113.62 114.90 1xjq n SER 61 Ca 0.10 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1xjq n SER 61 Cb 0.50 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1xjq n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xjq n GLY 62 N 3.67 0.67 0.14 0.46 0.00 -1.26 -4.80 105.19 104.07 1xjq n GLY 62 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1xjq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq h ALA 63 N 0.00 0.72 0.00 4.61 0.00 -1.59 -3.44 119.26 119.56 1xjq h ALA 63 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xjq h ALA 63 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xjq h ALA 63 CO 0.00 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1xjq n GLY 64 N 0.92 -0.90 0.21 0.00 0.00 -1.26 -4.70 105.19 99.45 1xjq n GLY 64 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1xjq n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjq h LYS 65 N 0.00 -0.45 -0.36 1.61 1.57 -1.90 0.11 116.57 117.16 1xjq h LYS 65 Ca 0.00 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1xjq h LYS 65 Cb 0.00 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1xjq h LYS 65 CO 0.00 -0.25 -0.03 1.15 -0.57 0.00 0.00 179.45 179.75 1xjq h THR 66 N -0.55 0.70 -0.30 -0.16 2.02 -1.97 0.11 112.91 112.75 1xjq h THR 66 Ca -0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1xjq h THR 66 Cb 0.41 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1xjq h THR 66 CO 0.08 0.01 0.03 0.74 0.37 0.00 0.00 175.52 176.75 1xjq h THR 67 N 0.06 1.24 -0.39 3.16 2.02 -1.94 0.07 112.91 117.14 1xjq h THR 67 Ca 0.17 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1xjq h THR 67 Cb 0.25 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1xjq h THR 67 CO -0.32 0.28 0.14 0.58 0.37 0.00 0.00 175.52 176.58 1xjq h VAL 68 N 0.32 1.20 -0.23 3.16 2.07 -0.53 -2.27 116.25 119.98 1xjq h VAL 68 Ca 0.09 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1xjq h VAL 68 Cb 0.38 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1xjq h VAL 68 CO 0.01 0.23 -0.44 0.77 0.02 0.00 0.00 177.57 178.16 1xjq h SER 69 N 0.48 0.60 -0.46 0.57 4.64 -0.42 -0.62 113.55 118.35 1xjq h SER 69 Ca 0.13 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1xjq h SER 69 Cb 0.22 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1xjq h SER 69 CO -0.01 0.96 0.29 0.24 -0.87 0.00 0.00 176.83 177.45 1xjq h MET 70 N 0.46 0.61 -0.08 4.77 2.86 -0.98 0.65 114.93 123.21 1xjq h MET 70 Ca 0.03 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1xjq h MET 70 Cb 0.95 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1xjq h MET 70 CO 0.08 0.42 -0.57 0.00 1.06 0.00 0.00 176.91 177.90 1xjq h ALA 71 N 1.15 0.88 -0.25 6.32 0.00 -1.06 -2.25 119.26 124.06 1xjq h ALA 71 Ca 0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1xjq h ALA 71 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xjq h ALA 71 CO -0.03 0.71 -0.13 1.25 0.00 0.00 0.00 179.25 181.04 1xjq h LEU 72 N 0.20 0.54 -0.26 0.00 5.85 -0.99 -0.95 115.31 119.71 1xjq h LEU 72 Ca -0.00 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.32 1xjq h LEU 72 Cb 1.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1xjq h LEU 72 CO 0.09 0.84 0.11 -0.08 -0.34 0.00 0.00 178.44 179.06 1xjq h GLU 73 N 0.25 0.24 -0.46 1.25 4.81 -0.74 -0.18 114.58 119.74 1xjq h GLU 73 Ca 0.05 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1xjq h GLU 73 Cb 0.64 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1xjq h GLU 73 CO 0.04 0.16 0.30 1.49 -0.73 0.00 0.00 179.01 180.27 1xjq h GLU 74 N 0.25 0.60 -0.26 1.92 4.81 -1.24 -0.15 114.58 120.50 1xjq h GLU 74 Ca 0.11 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1xjq h GLU 74 Cb 0.05 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1xjq h GLU 74 CO -0.09 0.40 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.48 1xjq h TYR 75 N 0.62 -0.49 -0.26 0.92 5.03 -0.72 -0.43 116.97 121.65 1xjq h TYR 75 Ca 0.17 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1xjq h TYR 75 Cb -0.06 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1xjq h TYR 75 CO -0.05 -0.27 0.16 -0.07 -1.32 0.00 0.00 178.16 176.62 1xjq h LEU 76 N -0.18 0.31 -0.78 2.82 3.38 -0.58 -0.38 115.31 119.91 1xjq h LEU 76 Ca 0.14 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1xjq h LEU 76 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xjq h LEU 76 CO -0.37 0.27 0.02 0.58 0.09 0.00 0.00 178.44 179.03 1xjq h VAL 77 N 0.33 1.26 0.00 1.22 2.07 -0.86 -0.35 116.25 119.92 1xjq h VAL 77 Ca 0.09 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1xjq h VAL 77 Cb 0.01 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1xjq h VAL 77 CO -0.02 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1xjq n HIS 79 N -2.89 1.51 -0.96 0.00 -0.00 -0.20 -4.98 115.22 107.71 1xjq n HIS 79 Ca -0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 57.72 56.85 1xjq n HIS 79 Cb 0.22 -0.43 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 1xjq n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xjq n GLY 80 N -0.06 0.44 3.01 -1.41 0.00 -0.74 -4.99 105.19 101.44 1xjq n GLY 80 Ca 0.26 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1xjq n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjq s ILE 81 N -2.00 2.20 0.45 -0.61 1.01 -0.22 -4.07 121.20 117.96 1xjq s ILE 81 Ca 0.00 -2.24 -0.25 0.00 0.00 0.00 0.00 60.65 58.16 1xjq s ILE 81 Cb 0.00 -2.60 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1xjq s ILE 81 CO 0.00 -0.55 1.41 -2.84 0.00 0.00 0.00 174.94 172.96 1xjq s PRO 82 N 0.95 3.70 0.27 2.79 0.02 -1.26 -3.72 135.00 137.75 1xjq s PRO 82 Ca 0.09 2.39 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 1xjq s PRO 82 Cb -0.19 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1xjq s PRO 82 CO -0.08 -0.79 0.55 0.00 -0.33 0.00 0.00 177.00 176.34 1xjq s TYR 84 N -3.80 -0.71 -0.15 0.00 5.04 0.28 -4.89 117.35 113.11 1xjq s TYR 84 Ca 0.20 1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 56.33 1xjq s TYR 84 Cb -0.02 0.33 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 1xjq s TYR 84 CO 0.10 -0.48 -0.08 0.99 -1.34 0.00 0.00 175.55 174.73 1xjq s THR 85 N -0.36 3.41 -0.23 4.34 2.01 -1.26 -0.75 115.64 122.81 1xjq s THR 85 Ca -0.05 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1xjq s THR 85 Cb -0.03 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1xjq s THR 85 CO 0.05 0.50 0.11 -0.76 -0.69 0.00 0.00 174.62 173.83 1xjq s LEU 86 N 0.48 3.82 0.00 4.42 1.43 0.14 -4.93 118.68 124.04 1xjq s LEU 86 Ca -0.06 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1xjq s LEU 86 Cb -0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1xjq s LEU 86 CO 0.04 0.06 0.00 -0.90 0.23 0.00 0.00 176.35 175.78 1xjq n ASP 87 N 4.29 0.00 -0.19 2.29 5.68 -1.26 -1.51 116.55 125.85 1xjq n ASP 87 Ca -0.16 -0.90 0.04 0.00 -0.50 0.00 0.00 54.79 53.28 1xjq n ASP 87 Cb 0.52 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.81 1xjq n ASP 87 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xjq h GLY 88 N 0.00 1.01 1.88 6.12 0.00 -1.98 -1.42 103.07 108.68 1xjq h GLY 88 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xjq h GLY 88 CO 0.00 0.27 0.00 1.22 0.00 0.00 0.00 176.54 178.03 1xjq n ASP 89 N -4.47 0.00 0.00 0.19 8.00 -1.26 -2.58 116.55 116.44 1xjq n ASP 89 Ca 0.10 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1xjq n ASP 89 Cb 0.16 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1xjq n ASP 89 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xjq n ASN 90 N -1.44 4.50 0.01 -2.24 6.94 -0.94 -4.84 115.26 117.24 1xjq n ASN 90 Ca 0.08 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.45 1xjq n ASN 90 Cb 0.26 0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 38.00 1xjq n ASN 90 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1xjq h ILE 91 N 0.00 1.49 -0.23 1.53 1.08 -1.39 -3.31 117.51 116.69 1xjq h ILE 91 Ca 0.00 -2.45 -0.08 0.00 -0.39 0.00 0.00 64.86 61.94 1xjq h ILE 91 Cb 0.89 3.14 -0.01 0.00 -3.07 0.00 0.00 36.82 37.77 1xjq h ILE 91 CO 0.00 0.67 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.85 1xjq h ARG 92 N -0.56 0.40 -0.38 2.37 1.12 -1.64 -0.00 114.38 115.69 1xjq h ARG 92 Ca -0.14 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 1xjq h ARG 92 Cb 1.48 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.40 1xjq h ARG 92 CO 0.08 0.59 0.00 1.04 -3.11 0.00 0.00 179.97 178.57 1xjq n GLN 93 N -4.17 2.57 0.00 0.20 6.02 -1.26 -2.10 117.38 118.63 1xjq n GLN 93 Ca -0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 1xjq n GLN 93 Cb 0.35 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1xjq n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xjq n GLY 94 N 0.79 0.57 0.37 1.08 0.00 -1.01 -4.73 105.19 102.27 1xjq n GLY 94 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1xjq n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xjq h LEU 95 N 0.00 0.75 -3.33 0.99 5.85 -1.75 -2.72 115.31 115.10 1xjq h LEU 95 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1xjq h LEU 95 Cb 0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xjq h LEU 95 CO 0.00 0.38 0.01 0.59 -0.34 0.00 0.00 178.44 179.09 1xjq n ASN 96 N -4.59 4.04 0.22 1.25 5.03 -0.05 -4.50 115.26 116.67 1xjq n ASN 96 Ca 0.18 -3.09 0.05 0.00 0.87 0.00 0.00 54.58 52.60 1xjq n ASN 96 Cb 0.43 -0.58 0.49 0.00 -1.02 0.00 0.00 39.78 39.10 1xjq n ASN 96 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1xjq h LYS 97 N 2.03 0.00 -0.79 3.52 2.10 -1.09 -2.35 116.57 119.99 1xjq h LYS 97 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1xjq h LYS 97 Cb 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 1xjq h LYS 97 CO 0.30 0.22 0.00 0.27 -2.00 0.00 0.00 179.45 178.24 1xjq n ASN 98 N -4.21 2.56 -4.34 7.07 0.23 -1.26 -4.82 115.26 110.50 1xjq n ASN 98 Ca -0.02 -2.30 -0.34 0.00 -0.53 0.00 0.00 54.58 51.39 1xjq n ASN 98 Cb 0.28 -0.53 -0.14 0.00 -2.08 0.00 0.00 39.78 37.31 1xjq n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xjq s LEU 99 N -0.99 2.81 0.00 -4.53 1.43 -0.89 -5.09 118.68 111.42 1xjq s LEU 99 Ca 0.19 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1xjq s LEU 99 Cb 0.14 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1xjq s LEU 99 CO 0.06 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1xjq n GLY 100 N 4.21 1.70 0.28 -3.19 0.00 -1.26 -5.02 105.19 101.90 1xjq n GLY 100 Ca -0.18 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.15 1xjq n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xjq n PHE 101 N 0.00 0.09 -4.49 1.61 3.01 -1.26 -4.39 117.46 112.02 1xjq n PHE 101 Ca 0.00 -0.17 -0.34 0.00 1.01 0.00 0.00 57.45 57.96 1xjq n PHE 101 Cb 0.00 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.33 1xjq n PHE 101 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1xjq s SER 102 N -0.67 4.66 0.33 4.37 0.01 -1.26 -4.69 113.70 116.45 1xjq s SER 102 Ca 0.09 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.32 1xjq s SER 102 Cb 0.06 -1.67 0.58 0.00 0.21 0.00 0.00 66.02 65.20 1xjq s SER 102 CO 0.08 0.20 1.20 -2.65 0.41 0.00 0.00 173.24 172.47 1xjq n PRO 103 N 3.33 0.08 0.08 12.44 -0.02 -1.26 -2.46 135.00 147.19 1xjq n PRO 103 Ca -0.18 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1xjq n PRO 103 Cb 0.53 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1xjq n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xjq h GLU 104 N 0.00 0.20 -0.65 -0.52 3.07 -1.97 -2.23 114.58 112.48 1xjq h GLU 104 Ca 0.00 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.54 1xjq h GLU 104 Cb 0.77 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1xjq h GLU 104 CO 0.00 1.03 0.15 -0.44 -1.40 0.00 0.00 179.01 178.35 1xjq h ASP 105 N 0.09 0.97 -0.36 1.42 5.19 -1.78 -1.57 116.42 120.38 1xjq h ASP 105 Ca -0.06 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.09 1xjq h ASP 105 Cb 1.65 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1xjq h ASP 105 CO 0.15 0.94 0.01 0.03 -3.12 0.00 0.00 179.24 177.25 1xjq h ARG 106 N 0.98 0.64 -0.06 3.56 2.47 -1.75 0.00 114.38 120.22 1xjq h ARG 106 Ca 0.21 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xjq h ARG 106 Cb 0.35 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1xjq h ARG 106 CO 0.00 0.74 0.02 1.49 0.56 0.00 0.00 179.97 182.78 1xjq h GLU 107 N 0.46 0.09 -0.52 0.04 4.81 -1.31 -2.09 114.58 116.05 1xjq h GLU 107 Ca 0.10 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1xjq h GLU 107 Cb 0.45 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1xjq h GLU 107 CO 0.02 0.24 0.35 1.49 -0.73 0.00 0.00 179.01 180.38 1xjq h GLU 108 N -0.07 0.41 0.35 1.92 4.57 -0.92 -2.06 114.58 118.79 1xjq h GLU 108 Ca 0.02 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1xjq h GLU 108 Cb 0.18 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1xjq h GLU 108 CO -0.00 0.27 -0.17 -0.97 -1.18 0.00 0.00 179.01 176.96 1xjq h ASN 109 N 0.42 -0.40 -0.96 1.04 -0.73 -0.31 0.52 115.58 115.16 1xjq h ASN 109 Ca 0.23 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.41 1xjq h ASN 109 Cb 0.37 0.10 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 1xjq h ASN 109 CO -0.06 -0.26 0.64 0.58 -0.37 0.00 0.00 177.43 177.96 1xjq h VAL 110 N -0.51 1.24 -0.58 2.57 2.07 -1.36 -2.28 116.25 117.40 1xjq h VAL 110 Ca -0.05 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1xjq h VAL 110 Cb 0.39 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1xjq h VAL 110 CO 0.08 0.24 0.05 -0.09 0.02 0.00 0.00 177.57 177.87 1xjq h ARG 111 N 1.30 0.99 -0.35 1.57 2.43 -0.73 0.49 114.38 120.08 1xjq h ARG 111 Ca 0.36 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 1xjq h ARG 111 Cb -0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1xjq h ARG 111 CO -0.08 0.96 -0.27 0.00 -1.51 0.00 0.00 179.97 179.08 1xjq h ARG 112 N 0.89 0.72 -0.44 0.20 3.08 -0.76 -1.37 114.38 116.69 1xjq h ARG 112 Ca 0.17 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1xjq h ARG 112 Cb 0.48 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1xjq h ARG 112 CO 0.02 0.91 0.20 0.82 -1.07 0.00 0.00 179.97 180.84 1xjq h ILE 113 N 0.62 1.19 -0.63 2.04 2.04 -1.04 -1.43 117.51 120.31 1xjq h ILE 113 Ca 0.08 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1xjq h ILE 113 Cb 0.77 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1xjq h ILE 113 CO 0.06 0.21 0.20 0.00 0.00 0.00 0.00 178.15 178.63 1xjq h ALA 114 N 1.04 0.82 -0.65 1.87 0.00 -0.66 0.13 119.26 121.81 1xjq h ALA 114 Ca 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xjq h ALA 114 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xjq h ALA 114 CO -0.02 0.49 0.13 0.93 0.00 0.00 0.00 179.25 180.78 1xjq h GLU 115 N 0.90 1.06 -0.60 0.00 4.39 -0.96 -1.51 114.58 117.86 1xjq h GLU 115 Ca 0.20 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1xjq h GLU 115 Cb 0.28 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1xjq h GLU 115 CO -0.01 0.96 -0.02 0.28 -1.16 0.00 0.00 179.01 179.07 1xjq h VAL 116 N 0.98 1.27 -0.71 3.13 2.07 -0.90 -2.44 116.25 119.64 1xjq h VAL 116 Ca 0.20 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1xjq h VAL 116 Cb 0.40 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1xjq h VAL 116 CO 0.01 0.43 0.29 0.00 0.02 0.00 0.00 177.57 178.32 1xjq h ALA 117 N 0.99 0.93 -0.39 1.67 0.00 -0.62 -0.49 119.26 121.35 1xjq h ALA 117 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xjq h ALA 117 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xjq h ALA 117 CO 0.03 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.58 1xjq h LYS 118 N 1.02 0.62 -0.39 0.00 3.64 -1.02 0.14 116.57 120.58 1xjq h LYS 118 Ca 0.24 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1xjq h LYS 118 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1xjq h LYS 118 CO -0.02 0.66 0.05 -0.07 -2.27 0.00 0.00 179.45 177.80 1xjq h LEU 119 N 0.59 0.63 -0.65 5.20 3.38 -0.86 0.20 115.31 123.79 1xjq h LEU 119 Ca 0.12 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xjq h LEU 119 Cb 0.40 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1xjq h LEU 119 CO 0.02 0.74 0.43 -0.26 0.09 0.00 0.00 178.44 179.45 1xjq h PHE 120 N 0.49 0.80 -0.73 1.13 0.04 -0.39 -1.33 116.94 116.95 1xjq h PHE 120 Ca 0.12 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 1xjq h PHE 120 Cb 0.38 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1xjq h PHE 120 CO 0.03 0.50 0.27 0.00 -0.60 0.00 0.00 178.31 178.50 1xjq h ALA 121 N 1.25 1.10 -0.03 2.45 0.00 -0.80 -2.15 119.26 121.07 1xjq h ALA 121 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xjq h ALA 121 Cb -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1xjq h ALA 121 CO -0.06 0.63 -0.06 0.22 0.00 0.00 0.00 179.25 179.98 1xjq h ASP 122 N 1.06 0.04 0.71 0.00 3.58 -0.16 -1.80 116.42 119.84 1xjq h ASP 122 Ca 0.24 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1xjq h ASP 122 Cb 0.24 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1xjq h ASP 122 CO -0.02 0.11 -0.11 0.00 -2.88 0.00 0.00 179.24 176.34 1xjq n ALA 123 N -2.52 2.67 0.00 -0.78 0.00 -0.54 -4.88 120.51 114.46 1xjq n ALA 123 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xjq n ALA 123 Cb 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1xjq n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 124 N 1.42 0.76 3.90 0.00 0.00 -0.68 -4.86 105.19 105.73 1xjq n GLY 124 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1xjq n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjq s LEU 125 N 0.00 3.92 -0.44 0.99 1.02 -0.86 -3.61 118.68 119.70 1xjq s LEU 125 Ca 0.00 0.86 -0.26 0.00 0.02 0.00 0.00 54.13 54.75 1xjq s LEU 125 Cb 0.00 -3.72 0.03 0.00 0.02 0.00 0.00 46.19 42.51 1xjq s LEU 125 CO 0.00 -0.32 0.97 -0.69 0.02 0.00 0.00 176.35 176.33 1xjq s VAL 126 N -2.29 4.44 -0.20 -1.59 1.01 -1.00 -2.21 120.40 118.56 1xjq s VAL 126 Ca 0.46 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.26 1xjq s VAL 126 Cb -0.10 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1xjq s VAL 126 CO 0.33 -0.81 0.31 0.00 0.00 0.00 0.00 175.10 174.93 1xjq s ILE 128 N 0.98 2.94 -0.02 0.00 1.01 0.07 0.69 121.20 126.87 1xjq s ILE 128 Ca 0.16 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1xjq s ILE 128 Cb -0.14 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1xjq s ILE 128 CO 0.06 0.52 -0.21 0.42 0.00 0.00 0.00 174.94 175.73 1xjq s THR 129 N 0.49 2.53 -0.54 2.92 -4.23 -0.44 0.24 115.64 116.61 1xjq s THR 129 Ca -0.10 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.48 1xjq s THR 129 Cb -0.16 -1.96 0.28 0.00 1.34 0.00 0.00 72.50 72.00 1xjq s THR 129 CO 0.04 0.53 0.75 -0.24 -0.54 0.00 0.00 174.62 175.16 1xjq n SER 130 N 2.20 2.84 -4.10 3.99 2.88 -0.57 -1.18 113.62 119.68 1xjq n SER 130 Ca -0.17 -3.30 -0.14 0.00 -1.33 0.00 0.00 58.87 53.94 1xjq n SER 130 Cb 0.52 -0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 63.23 1xjq n SER 130 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1xjq s PHE 131 N -2.46 0.80 0.20 0.66 0.40 -1.24 -4.54 117.98 111.80 1xjq s PHE 131 Ca 0.41 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 1xjq s PHE 131 Cb 0.21 -0.47 0.21 0.00 0.51 0.00 0.00 43.02 43.48 1xjq s PHE 131 CO -0.07 -0.06 1.77 0.82 0.70 0.00 0.00 175.22 178.38 1xjq h ILE 132 N 4.23 0.89 -6.50 0.64 2.04 -1.84 -3.36 117.51 113.61 1xjq h ILE 132 Ca -0.37 -0.17 -0.47 0.00 1.00 0.00 0.00 64.86 64.85 1xjq h ILE 132 Cb 1.20 0.35 0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1xjq h ILE 132 CO 0.44 0.09 -0.94 -1.54 0.00 0.00 0.00 178.15 176.21 1xjq n SER 133 N -4.91 -5.01 0.18 1.72 3.41 -1.26 -2.68 113.62 105.06 1xjq n SER 133 Ca 0.07 -1.05 0.14 0.00 -0.26 0.00 0.00 58.87 57.76 1xjq n SER 133 Cb 0.19 -2.65 0.54 0.00 -0.26 0.00 0.00 64.21 62.03 1xjq n SER 133 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xjq h PRO 134 N -1.78 0.00 -5.59 4.33 0.13 -1.89 -3.45 132.00 123.75 1xjq h PRO 134 Ca -0.64 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.84 1xjq h PRO 134 Cb 1.36 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 1xjq h PRO 134 CO 0.47 0.00 -0.60 0.71 -0.23 0.00 0.00 178.00 178.35 1xjq s TYR 135 N -3.42 3.20 0.22 1.56 4.12 -1.26 -1.23 117.35 120.54 1xjq s TYR 135 Ca 0.04 0.09 -0.07 0.00 0.02 0.00 0.00 57.07 57.14 1xjq s TYR 135 Cb 0.09 -1.93 0.19 0.00 -1.52 0.00 0.00 41.96 38.79 1xjq s TYR 135 CO 0.46 0.29 1.80 1.15 0.02 0.00 0.00 175.55 179.27 1xjq h THR 136 N 4.56 1.26 -0.47 -0.71 2.02 -1.87 -1.91 112.91 115.79 1xjq h THR 136 Ca -0.43 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1xjq h THR 136 Cb 1.19 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1xjq h THR 136 CO 0.61 0.33 0.09 -0.61 0.37 0.00 0.00 175.52 176.32 1xjq h GLN 137 N 1.16 0.72 -0.19 6.66 4.15 -1.98 0.60 115.11 126.23 1xjq h GLN 137 Ca 0.27 -0.15 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 1xjq h GLN 137 Cb 0.19 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1xjq h GLN 137 CO -0.02 0.67 -0.54 -0.44 -1.93 0.00 0.00 178.83 176.57 1xjq h ASP 138 N 0.70 0.62 0.09 -0.69 3.45 -1.76 -1.81 116.42 117.02 1xjq h ASP 138 Ca 0.15 -0.33 -0.25 0.00 0.43 0.00 0.00 57.03 57.04 1xjq h ASP 138 Cb 0.29 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1xjq h ASP 138 CO 0.00 1.04 -0.99 0.03 -1.57 0.00 0.00 179.24 177.75 1xjq h ARG 139 N 0.43 0.63 -0.53 3.56 3.08 -1.01 -1.53 114.38 119.00 1xjq h ARG 139 Ca 0.01 -0.66 -0.03 0.00 0.07 0.00 0.00 59.98 59.38 1xjq h ARG 139 Cb 1.08 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1xjq h ARG 139 CO 0.10 1.26 0.21 -0.91 -1.07 0.00 0.00 179.97 179.56 1xjq h ASN 140 N 0.36 0.70 -0.56 7.04 2.35 -0.92 -0.34 115.58 124.20 1xjq h ASN 140 Ca -0.11 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1xjq h ASN 140 Cb 1.64 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 1xjq h ASN 140 CO 0.19 0.63 0.16 -1.13 -1.65 0.00 0.00 177.43 175.63 1xjq h ASN 141 N 0.76 0.84 -0.48 5.81 -0.00 -1.23 -0.94 115.58 120.33 1xjq h ASN 141 Ca 0.18 -0.22 -0.07 0.00 -0.00 0.00 0.00 56.30 56.19 1xjq h ASN 141 Cb 0.15 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.23 1xjq h ASN 141 CO -0.02 0.84 0.05 0.00 -0.00 0.00 0.00 177.43 178.30 1xjq h ALA 142 N 1.03 1.07 -0.65 1.57 0.00 -0.44 -1.80 119.26 120.05 1xjq h ALA 142 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xjq h ALA 142 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xjq h ALA 142 CO -0.00 0.59 0.40 -0.09 0.00 0.00 0.00 179.25 180.15 1xjq h ARG 143 N 0.83 0.87 -0.23 0.00 2.43 -0.83 -2.82 114.38 114.63 1xjq h ARG 143 Ca 0.16 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.08 1xjq h ARG 143 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xjq h ARG 143 CO 0.01 0.61 -0.60 0.37 -1.51 0.00 0.00 179.97 178.86 1xjq h GLN 144 N 0.88 0.76 -0.49 0.20 -0.00 -0.59 0.10 115.11 115.98 1xjq h GLN 144 Ca 0.23 -0.51 0.05 0.00 -0.00 0.00 0.00 58.65 58.42 1xjq h GLN 144 Cb -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.48 1xjq h GLN 144 CO -0.05 1.14 0.33 0.82 0.00 0.00 0.00 178.83 181.07 1xjq h ILE 145 N 0.57 1.01 0.10 2.39 2.04 -1.22 -0.27 117.51 122.12 1xjq h ILE 145 Ca -0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1xjq h ILE 145 Cb 1.19 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1xjq h ILE 145 CO 0.12 0.09 -0.05 0.45 0.00 0.00 0.00 178.15 178.76 1xjq h HIS 146 N 0.47 -0.13 -0.92 1.37 3.86 -1.10 -3.32 115.15 115.38 1xjq h HIS 146 Ca 0.21 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1xjq h HIS 146 Cb 0.22 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1xjq h HIS 146 CO -0.00 0.28 0.61 0.93 0.86 0.00 0.00 177.93 180.61 1xjq h GLU 147 N -0.96 1.21 0.00 2.45 5.08 -0.67 -0.45 114.58 121.24 1xjq h GLU 147 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xjq h GLU 147 Cb 0.46 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xjq h GLU 147 CO 0.02 0.80 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 1xjq n GLY 148 N -1.39 -0.66 0.10 -3.84 0.00 -0.13 -1.00 105.19 98.27 1xjq n GLY 148 Ca 0.11 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1xjq n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq n ALA 149 N -1.39 2.19 -3.39 4.61 0.00 -0.28 -4.98 120.51 117.26 1xjq n ALA 149 Ca 0.03 -2.28 -0.24 0.00 0.00 0.00 0.00 53.44 50.95 1xjq n ALA 149 Cb 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 19.45 19.23 1xjq n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xjq n SER 150 N -1.19 -5.64 -4.36 0.00 7.64 -0.17 -5.00 113.62 104.90 1xjq n SER 150 Ca 0.13 -0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.21 1xjq n SER 150 Cb 0.60 -4.52 -0.14 0.00 -1.01 0.00 0.00 64.21 59.14 1xjq n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xjq s LEU 151 N -6.94 2.80 0.48 -3.43 1.43 -0.57 -5.01 118.68 107.44 1xjq s LEU 151 Ca 0.46 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 1xjq s LEU 151 Cb -0.22 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1xjq s LEU 151 CO 0.57 0.12 1.38 -2.84 0.23 0.00 0.00 176.35 175.81 1xjq s PRO 152 N 0.63 3.51 -0.05 1.29 0.02 -1.26 -3.73 135.00 135.40 1xjq s PRO 152 Ca -0.06 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 1xjq s PRO 152 Cb -0.15 -2.51 0.03 0.00 0.02 0.00 0.00 34.50 31.89 1xjq s PRO 152 CO 0.03 -0.92 0.03 0.12 -0.33 0.00 0.00 177.00 175.92 1xjq s PHE 153 N -1.26 0.31 -0.27 6.54 5.36 -1.26 -1.96 117.98 125.45 1xjq s PHE 153 Ca 0.65 0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 1xjq s PHE 153 Cb -0.42 -0.57 0.06 0.00 -0.34 0.00 0.00 43.02 41.75 1xjq s PHE 153 CO 0.52 -0.23 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.90 1xjq s PHE 154 N 1.89 3.25 -0.33 10.12 0.40 0.02 -4.98 117.98 128.35 1xjq s PHE 154 Ca 0.02 -2.20 -0.24 0.00 -0.60 0.00 0.00 56.93 53.91 1xjq s PHE 154 Cb -0.12 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1xjq s PHE 154 CO -0.04 -0.86 0.83 -2.00 0.70 0.00 0.00 175.22 173.85 1xjq s GLU 155 N 1.14 3.90 -0.25 0.44 2.12 -1.26 -0.21 118.70 124.58 1xjq s GLU 155 Ca -0.08 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 1xjq s GLU 155 Cb -0.20 -3.76 0.03 0.00 0.26 0.00 0.00 34.13 30.46 1xjq s GLU 155 CO -0.04 -0.78 -0.07 0.08 -0.54 0.00 0.00 175.26 173.90 1xjq s VAL 156 N 3.12 2.77 -0.49 3.70 1.01 0.04 -1.44 120.40 129.11 1xjq s VAL 156 Ca 0.34 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1xjq s VAL 156 Cb -0.13 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1xjq s VAL 156 CO 0.15 0.20 0.67 0.12 0.00 0.00 0.00 175.10 176.23 1xjq s PHE 157 N 1.30 3.02 -0.76 5.22 5.36 -0.49 -1.30 117.98 130.34 1xjq s PHE 157 Ca -0.00 -0.32 -0.22 0.00 -0.96 0.00 0.00 56.93 55.43 1xjq s PHE 157 Cb -0.17 -3.54 0.08 0.00 -0.34 0.00 0.00 43.02 39.06 1xjq s PHE 157 CO -0.05 -1.02 1.08 0.08 -1.46 0.00 0.00 175.22 173.85 1xjq s VAL 158 N 2.86 4.32 -0.45 3.12 1.01 -0.24 -0.38 120.40 130.65 1xjq s VAL 158 Ca 0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1xjq s VAL 158 Cb -0.17 -4.76 0.08 0.00 0.00 0.00 0.00 36.38 31.53 1xjq s VAL 158 CO 0.15 -1.55 0.33 -0.62 0.00 0.00 0.00 175.10 173.40 1xjq s ASP 159 N 3.79 5.87 0.03 3.32 3.68 0.20 -4.33 116.67 129.23 1xjq s ASP 159 Ca 0.28 -1.45 0.04 0.00 2.13 0.00 0.00 52.55 53.55 1xjq s ASP 159 Cb -0.12 -2.08 -0.02 0.00 -1.45 0.00 0.00 42.92 39.26 1xjq s ASP 159 CO 0.04 -0.60 -0.11 0.00 0.13 0.00 0.00 175.17 174.63 1xjq s ALA 160 N 1.52 0.93 0.64 3.66 0.00 -1.26 -3.08 121.76 124.18 1xjq s ALA 160 Ca 0.03 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1xjq s ALA 160 Cb -0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1xjq s ALA 160 CO 0.04 0.16 0.91 -2.30 0.00 0.00 0.00 175.76 174.57 1xjq n PRO 161 N 2.01 0.73 -0.22 0.00 -0.02 -1.26 -4.77 135.00 131.47 1xjq n PRO 161 Ca -0.18 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1xjq n PRO 161 Cb 0.55 -2.14 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1xjq n PRO 161 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xjq h LEU 162 N 0.21 0.74 -0.94 2.45 5.85 -1.99 -1.47 115.31 120.16 1xjq h LEU 162 Ca -0.48 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.26 1xjq h LEU 162 Cb 1.36 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1xjq h LEU 162 CO 0.49 0.57 0.60 1.12 -0.34 0.00 0.00 178.44 180.87 1xjq h HIS 163 N 0.86 1.11 -0.76 1.25 2.07 -1.99 -0.83 115.15 116.85 1xjq h HIS 163 Ca 0.23 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.74 1xjq h HIS 163 Cb -0.06 -0.36 -0.03 0.00 2.57 0.00 0.00 27.41 29.53 1xjq h HIS 163 CO -0.02 0.57 0.32 0.28 -3.07 0.00 0.00 177.93 176.01 1xjq h VAL 164 N 1.09 1.25 -0.14 6.12 2.07 -1.69 0.29 116.25 125.23 1xjq h VAL 164 Ca 0.41 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1xjq h VAL 164 Cb 0.17 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1xjq h VAL 164 CO -0.17 0.32 -0.45 0.00 0.02 0.00 0.00 177.57 177.28 1xjq h GLU 166 N 0.29 -0.14 -0.57 0.00 5.08 -0.87 0.18 114.58 118.55 1xjq h GLU 166 Ca 0.02 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1xjq h GLU 166 Cb 0.91 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 1xjq h GLU 166 CO 0.08 0.12 -0.24 0.37 -1.00 0.00 0.00 179.01 178.34 1xjq h GLN 167 N -0.39 -0.10 -0.60 2.33 4.15 -0.05 -1.01 115.11 119.45 1xjq h GLN 167 Ca -0.01 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1xjq h GLN 167 Cb 0.32 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1xjq h GLN 167 CO 0.02 -0.06 0.21 0.00 -1.93 0.00 0.00 178.83 177.07 1xjq h ARG 168 N -0.10 0.89 -6.99 1.69 3.08 -0.85 -3.46 114.38 108.64 1xjq h ARG 168 Ca 0.26 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1xjq h ARG 168 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1xjq h ARG 168 CO -0.64 0.75 -0.13 -3.47 -1.07 0.00 0.00 179.97 175.42 1xjq n ASP 169 N -4.30 -0.40 -0.28 7.04 4.64 0.04 -4.76 116.55 118.54 1xjq n ASP 169 Ca 0.05 -0.17 0.27 0.00 -1.38 0.00 0.00 54.79 53.56 1xjq n ASP 169 Cb 0.19 -0.20 0.62 0.00 -1.04 0.00 0.00 41.12 40.69 1xjq n ASP 169 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1xjq h VAL 170 N 2.07 0.52 0.00 5.18 2.07 -1.89 -1.78 116.25 122.42 1xjq h VAL 170 Ca -0.09 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xjq h VAL 170 Cb 0.18 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1xjq h VAL 170 CO 0.07 0.04 -0.01 0.29 0.02 0.00 0.00 177.57 177.98 1xjq n LYS 171 N -4.41 2.32 -1.04 1.57 5.02 -1.26 -4.98 118.16 115.38 1xjq n LYS 171 Ca 0.23 -1.35 -0.01 0.00 -2.02 0.00 0.00 58.31 55.15 1xjq n LYS 171 Cb 0.97 -0.92 -0.01 0.00 -0.02 0.00 0.00 35.03 35.05 1xjq n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjq n GLY 172 N -0.44 0.45 0.22 0.72 0.00 -0.67 -4.92 105.19 100.55 1xjq n GLY 172 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1xjq n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xjq h LEU 173 N 0.00 0.44 -1.05 0.99 4.07 -1.94 -3.19 115.31 114.64 1xjq h LEU 173 Ca -0.03 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 1xjq h LEU 173 Cb 0.36 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1xjq h LEU 173 CO 0.04 0.77 -0.09 1.88 -1.08 0.00 0.00 178.44 179.96 1xjq h TYR 174 N 0.36 0.62 0.00 1.13 -1.99 -1.91 -2.25 116.97 112.92 1xjq h TYR 174 Ca 0.04 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 1xjq h TYR 174 Cb 0.81 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 1xjq h TYR 174 CO 0.02 0.65 -0.38 1.57 -0.00 0.00 0.00 178.16 180.03 1xjq h LYS 175 N 0.53 0.00 0.00 4.88 2.10 -1.94 -1.98 116.57 120.16 1xjq h LYS 175 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1xjq h LYS 175 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1xjq h LYS 175 CO 0.03 0.38 -0.55 0.87 -2.00 0.00 0.00 179.45 178.18 1xjq h LYS 176 N 0.00 0.00 0.01 0.07 1.57 -1.54 -3.32 116.57 113.35 1xjq h LYS 176 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1xjq h LYS 176 Cb 1.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1xjq h LYS 176 CO 0.05 0.00 -1.77 0.00 -0.57 0.00 0.00 179.45 177.16 1xjq n ALA 177 N -2.04 1.46 0.60 3.86 0.00 -0.85 -1.26 120.51 122.28 1xjq n ALA 177 Ca 0.02 -0.79 0.09 0.00 0.00 0.00 0.00 53.44 52.76 1xjq n ALA 177 Cb 0.51 -0.80 0.38 0.00 0.00 0.00 0.00 19.45 19.54 1xjq n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xjq n ARG 178 N -3.05 0.01 -0.97 0.00 5.12 -0.78 -2.86 116.66 114.12 1xjq n ARG 178 Ca -0.19 0.21 0.04 0.00 -1.93 0.00 0.00 57.85 55.98 1xjq n ARG 178 Cb 1.06 -1.52 0.08 0.00 -1.16 0.00 0.00 32.46 30.92 1xjq n ARG 178 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xjq n ALA 179 N -1.52 2.66 -0.94 7.54 0.00 -1.25 -5.08 120.51 121.92 1xjq n ALA 179 Ca 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1xjq n ALA 179 Cb 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1xjq n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 180 N -0.20 0.00 1.75 0.00 0.00 -1.14 -4.98 105.19 100.63 1xjq n GLY 180 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1xjq n GLY 180 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xjq n GLU 181 N 0.94 0.55 -4.05 1.61 2.13 -0.39 -4.88 120.64 116.56 1xjq n GLU 181 Ca 0.00 -0.67 -0.32 0.00 0.66 0.00 0.00 57.16 56.83 1xjq n GLU 181 Cb 0.00 0.33 -0.15 0.00 0.27 0.00 0.00 31.44 31.89 1xjq n GLU 181 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1xjq s ILE 182 N 0.05 1.96 0.00 6.31 -4.36 -1.23 -5.01 121.20 118.92 1xjq s ILE 182 Ca 0.04 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1xjq s ILE 182 Cb 0.18 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1xjq s ILE 182 CO -0.05 0.14 0.00 1.17 0.24 0.00 0.00 174.94 176.44 1xjq n LYS 183 N 4.55 0.00 -2.64 0.37 4.81 -1.26 -3.80 118.16 120.19 1xjq n LYS 183 Ca -0.16 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.87 1xjq n LYS 183 Cb 0.45 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.52 1xjq n LYS 183 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjq n GLY 184 N 0.00 6.03 3.67 3.14 0.00 -1.26 -4.72 105.19 112.05 1xjq n GLY 184 Ca 0.00 -2.56 -0.59 0.00 0.00 0.00 0.00 46.02 42.87 1xjq n GLY 184 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xjq n PHE 185 N 0.13 1.91 -1.72 1.61 -0.00 -1.25 -2.82 117.46 115.32 1xjq n PHE 185 Ca 0.46 0.63 -0.41 0.00 -0.00 0.00 0.00 57.45 58.13 1xjq n PHE 185 Cb 0.27 -2.42 0.01 0.00 -0.00 0.00 0.00 39.48 37.34 1xjq n PHE 185 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1xjq n THR 186 N 4.87 2.52 0.00 -2.13 5.66 -1.26 -1.46 114.28 122.47 1xjq n THR 186 Ca 0.30 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1xjq n THR 186 Cb 0.09 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 1xjq n THR 186 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xjq n GLY 187 N 0.71 3.03 0.65 1.09 0.00 -0.78 -4.77 105.19 105.12 1xjq n GLY 187 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1xjq n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xjq n ILE 188 N -0.63 0.44 0.42 -0.61 5.41 -0.53 -4.89 119.36 118.97 1xjq n ILE 188 Ca 0.00 0.23 0.05 0.00 1.00 0.00 0.00 62.75 64.03 1xjq n ILE 188 Cb 0.00 -1.42 -0.06 0.00 -0.71 0.00 0.00 39.64 37.46 1xjq n ILE 188 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xjq n ASP 189 N -2.95 0.70 -4.85 4.38 10.43 -0.81 -4.98 116.55 118.47 1xjq n ASP 189 Ca -0.02 -0.66 -0.25 0.00 2.57 0.00 0.00 54.79 56.43 1xjq n ASP 189 Cb 0.06 1.05 -0.03 0.00 1.84 0.00 0.00 41.12 44.04 1xjq n ASP 189 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xjq s SER 190 N -2.08 4.64 0.10 -2.24 0.01 -1.09 -4.68 113.70 108.37 1xjq s SER 190 Ca 0.03 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.19 1xjq s SER 190 Cb 0.07 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 1xjq s SER 190 CO 0.41 -0.86 0.18 -1.61 0.41 0.00 0.00 173.24 171.77 1xjq s GLU 191 N -4.13 3.19 -0.15 12.44 2.02 -1.26 -1.86 118.70 128.94 1xjq s GLU 191 Ca 0.37 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1xjq s GLU 191 Cb -0.01 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1xjq s GLU 191 CO 0.22 0.56 -0.12 -0.47 0.02 0.00 0.00 175.26 175.47 1xjq s TYR 192 N -1.57 2.84 -0.31 1.61 6.14 -1.26 -4.55 117.35 120.25 1xjq s TYR 192 Ca 0.33 -0.74 -0.09 0.00 0.64 0.00 0.00 57.07 57.21 1xjq s TYR 192 Cb -0.12 -1.90 -0.00 0.00 0.42 0.00 0.00 41.96 40.36 1xjq s TYR 192 CO 0.26 -0.30 0.15 -1.21 0.64 0.00 0.00 175.55 175.09 1xjq s GLU 193 N 0.59 3.28 0.34 4.97 2.02 -0.37 -5.02 118.70 124.52 1xjq s GLU 193 Ca -0.07 -0.75 -0.28 0.00 0.02 0.00 0.00 54.97 53.89 1xjq s GLU 193 Cb -0.15 -3.55 -0.10 0.00 0.10 0.00 0.00 34.13 30.43 1xjq s GLU 193 CO 0.03 -0.43 1.22 0.15 0.02 0.00 0.00 175.26 176.24 1xjq s LYS 194 N 1.60 4.34 0.35 1.61 1.02 -1.26 -4.57 119.74 122.83 1xjq s LYS 194 Ca 0.04 2.01 -0.29 0.00 0.02 0.00 0.00 55.97 57.76 1xjq s LYS 194 Cb -0.17 -2.99 -0.11 0.00 -0.52 0.00 0.00 37.83 34.03 1xjq s LYS 194 CO 0.06 -0.13 1.51 -2.14 -0.92 0.00 0.00 175.35 173.73 1xjq s PRO 195 N -1.84 4.12 0.02 -1.68 0.02 -1.26 -4.95 135.00 129.43 1xjq s PRO 195 Ca 0.50 2.56 0.02 0.00 0.02 0.00 0.00 61.00 64.10 1xjq s PRO 195 Cb -0.35 -2.98 -0.25 0.00 0.02 0.00 0.00 34.50 30.93 1xjq s PRO 195 CO 0.46 -0.55 0.92 0.93 -0.33 0.00 0.00 177.00 178.43 1xjq h GLU 196 N 3.47 0.15 -1.90 5.54 5.08 -2.02 -3.40 114.58 121.51 1xjq h GLU 196 Ca -0.50 -0.25 -0.48 0.00 -1.00 0.00 0.00 59.36 57.13 1xjq h GLU 196 Cb 1.23 0.09 -0.40 0.00 0.50 0.00 0.00 28.75 30.17 1xjq h GLU 196 CO 0.68 0.98 -1.11 0.00 -1.00 0.00 0.00 179.01 178.56 1xjq n ALA 197 N -2.57 2.64 -1.76 3.43 0.00 -1.26 -5.10 120.51 115.89 1xjq n ALA 197 Ca -0.13 -3.57 -0.39 0.00 0.00 0.00 0.00 53.44 49.36 1xjq n ALA 197 Cb 1.02 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.59 1xjq n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xjq s PRO 198 N -2.70 3.62 0.56 0.00 0.04 -1.26 -4.89 135.00 130.36 1xjq s PRO 198 Ca 0.40 2.16 0.33 0.00 0.04 0.00 0.00 61.00 63.93 1xjq s PRO 198 Cb 0.36 -2.52 1.59 0.00 0.04 0.00 0.00 34.50 33.96 1xjq s PRO 198 CO -0.08 -0.78 2.09 0.93 0.04 0.00 0.00 177.00 179.20 1xjq h GLU 199 N 2.12 0.00 -2.06 4.56 3.07 -1.62 -3.43 114.58 117.21 1xjq h GLU 199 Ca -0.50 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.31 1xjq h GLU 199 Cb 1.27 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.97 1xjq h GLU 199 CO 0.60 0.07 0.11 -1.17 -1.40 0.00 0.00 179.01 177.22 1xjq s LEU 200 N -6.63 -0.64 -0.19 1.33 2.96 -1.01 -5.01 118.68 109.48 1xjq s LEU 200 Ca -0.02 1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1xjq s LEU 200 Cb 0.11 2.39 -0.01 0.00 0.50 0.00 0.00 46.19 49.19 1xjq s LEU 200 CO 0.54 -0.29 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.52 1xjq s VAL 201 N 0.17 3.31 -0.34 1.68 1.01 -1.26 -1.40 120.40 123.58 1xjq s VAL 201 Ca -0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1xjq s VAL 201 Cb -0.04 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1xjq s VAL 201 CO 0.02 0.46 0.17 -0.76 0.00 0.00 0.00 175.10 174.99 1xjq s LEU 202 N 1.07 4.38 -1.16 3.92 1.43 0.49 -4.97 118.68 123.85 1xjq s LEU 202 Ca 0.01 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1xjq s LEU 202 Cb -0.15 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.25 1xjq s LEU 202 CO -0.01 -0.28 1.35 -0.54 0.23 0.00 0.00 176.35 177.10 1xjq s LYS 203 N 1.58 4.04 0.00 1.70 -0.14 -1.26 0.63 119.74 126.28 1xjq s LYS 203 Ca 0.03 -2.56 0.14 0.00 -1.36 0.00 0.00 55.97 52.23 1xjq s LYS 203 Cb -0.18 -4.98 0.77 0.00 -1.68 0.00 0.00 37.83 31.76 1xjq s LYS 203 CO 0.06 -1.70 1.33 0.25 -0.76 0.00 0.00 175.35 174.53 1xjq n THR 204 N 4.49 0.35 1.06 2.17 -2.24 -1.18 -1.77 114.28 117.16 1xjq n THR 204 Ca 0.33 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.32 1xjq n THR 204 Cb 0.43 -0.86 0.15 0.00 -2.10 0.00 0.00 70.33 67.95 1xjq n THR 204 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xjq n ASP 205 N -1.16 2.75 -0.13 3.42 2.03 -1.26 -4.13 116.55 118.07 1xjq n ASP 205 Ca 0.08 -1.91 0.02 0.00 0.52 0.00 0.00 54.79 53.51 1xjq n ASP 205 Cb 0.08 0.02 0.03 0.00 -0.72 0.00 0.00 41.12 40.53 1xjq n ASP 205 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xjq n SER 206 N 1.13 0.94 -3.71 1.67 7.64 -0.73 -5.08 113.62 115.47 1xjq n SER 206 Ca 0.14 -1.88 -0.10 0.00 1.01 0.00 0.00 58.87 58.05 1xjq n SER 206 Cb 0.56 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1xjq n SER 206 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xjq n ASP 208 N -0.35 1.96 -0.29 0.00 3.85 -1.26 -4.75 116.55 115.70 1xjq n ASP 208 Ca -0.10 -2.36 -0.06 0.00 -0.71 0.00 0.00 54.79 51.57 1xjq n ASP 208 Cb 0.62 -0.25 0.07 0.00 -1.35 0.00 0.00 41.12 40.21 1xjq n ASP 208 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1xjq h VAL 209 N 0.26 1.26 -0.70 2.12 2.07 -1.99 -1.56 116.25 117.71 1xjq h VAL 209 Ca -0.24 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1xjq h VAL 209 Cb 1.03 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1xjq h VAL 209 CO 0.36 0.32 0.40 0.78 0.02 0.00 0.00 177.57 179.45 1xjq h ASN 210 N 1.14 0.84 -0.12 0.57 -0.26 -1.99 0.01 115.58 115.78 1xjq h ASN 210 Ca 0.27 -0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.97 1xjq h ASN 210 Cb 0.18 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1xjq h ASN 210 CO -0.03 0.67 -0.00 0.44 -1.06 0.00 0.00 177.43 177.45 1xjq h ASP 211 N 0.96 -0.05 -0.15 5.81 3.45 -1.79 -0.79 116.42 123.86 1xjq h ASP 211 Ca 0.25 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.78 1xjq h ASP 211 Cb -0.00 0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 1xjq h ASP 211 CO -0.04 -0.01 -0.11 0.00 -1.57 0.00 0.00 179.24 177.50 1xjq h VAL 213 N -0.12 1.29 -0.39 0.00 2.07 -0.90 -1.82 116.25 116.37 1xjq h VAL 213 Ca 0.10 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.01 1xjq h VAL 213 Cb 0.26 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1xjq h VAL 213 CO -0.23 0.47 -0.29 -0.61 0.02 0.00 0.00 177.57 176.93 1xjq h GLN 214 N 0.53 0.84 -0.60 1.57 4.15 -0.90 0.12 115.11 120.81 1xjq h GLN 214 Ca 0.06 -0.38 -0.08 0.00 0.77 0.00 0.00 58.65 59.01 1xjq h GLN 214 Cb 0.83 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1xjq h GLN 214 CO 0.07 1.02 0.05 1.96 -1.93 0.00 0.00 178.83 180.00 1xjq h GLN 215 N 0.71 1.03 -0.12 1.69 4.20 -0.97 0.14 115.11 121.79 1xjq h GLN 215 Ca 0.08 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1xjq h GLN 215 Cb 0.84 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1xjq h GLN 215 CO 0.07 0.99 -0.08 0.28 -0.67 0.00 0.00 178.83 179.42 1xjq h VAL 216 N 0.93 1.33 -0.67 -0.54 2.07 -1.07 -1.79 116.25 116.51 1xjq h VAL 216 Ca 0.18 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1xjq h VAL 216 Cb 0.49 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1xjq h VAL 216 CO 0.02 0.34 0.42 0.58 0.02 0.00 0.00 177.57 178.95 1xjq h VAL 217 N -0.10 1.09 -0.31 2.57 2.07 -0.74 -0.28 116.25 120.55 1xjq h VAL 217 Ca 0.02 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1xjq h VAL 217 Cb 0.57 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1xjq h VAL 217 CO 0.02 0.15 0.00 -0.33 0.02 0.00 0.00 177.57 177.44 1xjq h GLU 218 N 0.83 0.47 -0.05 1.57 5.08 -0.85 -0.28 114.58 121.35 1xjq h GLU 218 Ca 0.27 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xjq h GLU 218 Cb 0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1xjq h GLU 218 CO -0.10 0.50 0.03 1.25 -1.00 0.00 0.00 179.01 179.69 1xjq h LEU 219 N 0.46 0.06 -1.37 1.33 5.85 -0.73 -0.00 115.31 120.89 1xjq h LEU 219 Ca 0.10 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1xjq h LEU 219 Cb 0.30 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xjq h LEU 219 CO 0.01 0.06 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.80 1xjq h LEU 220 N 0.05 0.00 0.03 2.25 3.38 -0.39 -0.27 115.31 120.35 1xjq h LEU 220 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xjq h LEU 220 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xjq h LEU 220 CO -0.00 0.29 -0.01 1.56 0.09 0.00 0.00 178.44 180.37 1xjq h GLN 221 N 0.00 -0.03 -0.88 1.13 4.20 -0.91 0.39 115.11 119.01 1xjq h GLN 221 Ca -0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1xjq h GLN 221 Cb 0.62 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.28 1xjq h GLN 221 CO 0.04 0.49 0.34 0.93 -0.67 0.00 0.00 178.83 179.96 1xjq h GLU 222 N -0.57 0.34 -0.57 1.46 5.08 -0.48 -2.48 114.58 117.35 1xjq h GLU 222 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xjq h GLU 222 Cb 0.54 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xjq h GLU 222 CO 0.01 0.23 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 1xjq n ARG 223 N -5.09 2.58 -2.05 2.33 5.12 -0.16 -4.91 116.66 114.49 1xjq n ARG 223 Ca 0.21 -1.72 -0.14 0.00 -1.93 0.00 0.00 57.85 54.27 1xjq n ARG 223 Cb 0.64 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 1xjq n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1xjq n ASP 224 N 0.62 -4.50 -0.04 0.55 8.00 -0.93 -4.88 116.55 115.37 1xjq n ASP 224 Ca 0.16 0.08 -0.21 0.00 0.71 0.00 0.00 54.79 55.53 1xjq n ASP 224 Cb 0.56 -3.55 -0.13 0.00 -0.02 0.00 0.00 41.12 37.98 1xjq n ASP 224 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xjq n ILE 225 N -3.63 1.69 -4.18 0.53 2.08 0.13 -4.83 119.36 111.14 1xjq n ILE 225 Ca -0.16 -0.57 -0.34 0.00 0.56 0.00 0.00 62.75 62.23 1xjq n ILE 225 Cb 0.59 -1.70 -0.13 0.00 -0.75 0.00 0.00 39.64 37.65 1xjq n ILE 225 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1xjq s VAL 226 N -2.53 3.82 0.58 1.39 1.01 -0.79 -4.89 120.40 118.97 1xjq s VAL 226 Ca -0.26 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1xjq s VAL 226 Cb 0.07 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1xjq s VAL 226 CO 0.71 0.45 1.06 -2.84 0.00 0.00 0.00 175.10 174.48 1xjq s PRO 227 N 0.85 3.37 -0.57 2.72 0.02 -1.26 -4.07 135.00 136.06 1xjq s PRO 227 Ca -0.00 1.27 -0.23 0.00 0.02 0.00 0.00 61.00 62.05 1xjq s PRO 227 Cb -0.14 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.39 1xjq s PRO 227 CO 0.02 -0.77 0.92 0.08 -0.33 0.00 0.00 177.00 176.92 1xjq s VAL 228 N -2.32 4.41 0.65 3.83 1.01 -1.26 -4.98 120.40 121.73 1xjq s VAL 228 Ca 0.65 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1xjq s VAL 228 Cb -0.17 -4.55 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1xjq s VAL 228 CO 0.34 -1.16 1.15 -1.81 0.00 0.00 0.00 175.10 173.62 1xjq s ASP 229 N 2.99 4.97 0.45 3.32 -0.00 -1.26 -4.96 116.67 122.19 1xjq s ASP 229 Ca 0.28 2.16 -0.25 0.00 -0.00 0.00 0.00 52.55 54.74 1xjq s ASP 229 Cb -0.14 -2.57 -0.08 0.00 -0.00 0.00 0.00 42.92 40.13 1xjq s ASP 229 CO 0.17 -1.73 1.42 0.00 -0.00 0.00 0.00 175.17 175.03 1xjq s ALA 230 N -2.08 3.23 0.08 5.23 0.00 0.26 -5.01 121.76 123.47 1xjq s ALA 230 Ca 0.71 1.45 0.01 0.00 0.00 0.00 0.00 51.96 54.13 1xjq s ALA 230 Cb -0.24 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1xjq s ALA 230 CO 0.39 -1.19 -0.05 0.45 0.00 0.00 0.00 175.76 175.36 1xjq s SER 231 N -0.53 0.89 0.00 0.00 0.15 -1.26 -4.89 113.70 108.06 1xjq s SER 231 Ca 0.61 -0.98 0.22 0.00 0.70 0.00 0.00 55.95 56.50 1xjq s SER 231 Cb -0.43 0.13 0.55 0.00 -1.71 0.00 0.00 66.02 64.55 1xjq s SER 231 CO 0.56 -0.50 1.47 -1.22 1.20 0.00 0.00 173.24 174.75 1xjq n TYR 232 N 0.09 0.72 -1.89 3.44 4.02 -1.26 -4.12 117.16 118.16 1xjq n TYR 232 Ca -0.13 -0.36 -0.42 0.00 -0.01 0.00 0.00 57.90 56.98 1xjq n TYR 232 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.90 1xjq n TYR 232 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xjq s GLU 233 N -1.28 4.19 0.19 -0.72 2.12 -1.26 -4.78 118.70 117.16 1xjq s GLU 233 Ca 0.42 2.39 -0.31 0.00 0.36 0.00 0.00 54.97 57.83 1xjq s GLU 233 Cb 0.23 -3.46 -0.16 0.00 0.26 0.00 0.00 34.13 31.00 1xjq s GLU 233 CO 0.31 -0.72 0.96 0.28 -0.54 0.00 0.00 175.26 175.54 1xjq n VAL 234 N 4.49 1.35 -3.69 3.70 0.31 -1.26 -4.91 118.33 118.33 1xjq n VAL 234 Ca 0.16 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 1xjq n VAL 234 Cb 0.39 -0.59 -0.14 0.00 -0.91 0.00 0.00 33.84 32.59 1xjq n VAL 234 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xjq s LYS 235 N -0.79 0.72 0.35 5.55 2.20 -1.26 -5.08 119.74 121.43 1xjq s LYS 235 Ca 0.69 -1.16 -0.26 0.00 -0.36 0.00 0.00 55.97 54.88 1xjq s LYS 235 Cb -0.88 -1.88 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 1xjq s LYS 235 CO 0.56 -1.03 1.04 -1.21 -0.36 0.00 0.00 175.35 174.35 1xjq s GLU 236 N 1.45 4.38 0.00 4.03 2.02 -1.26 -4.00 118.70 125.32 1xjq s GLU 236 Ca 0.11 1.57 0.24 0.00 0.02 0.00 0.00 54.97 56.91 1xjq s GLU 236 Cb -0.19 -2.78 0.36 0.00 0.10 0.00 0.00 34.13 31.63 1xjq s GLU 236 CO -0.21 0.04 1.37 1.28 0.02 0.00 0.00 175.26 177.75 1xjq n LEU 237 N 0.42 3.25 -4.74 1.80 4.77 0.18 -4.94 117.00 117.74 1xjq n LEU 237 Ca 0.03 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 1xjq n LEU 237 Cb 0.48 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1xjq n LEU 237 CO 0.48 0.65 1.29 -0.31 -1.33 0.00 0.00 177.39 178.17 1xjq s TYR 238 N -1.68 2.78 0.31 -1.77 4.12 -1.22 -1.25 117.35 118.64 1xjq s TYR 238 Ca 0.35 0.63 -0.29 0.00 0.02 0.00 0.00 57.07 57.78 1xjq s TYR 238 Cb 0.22 -4.11 -0.11 0.00 -1.52 0.00 0.00 41.96 36.44 1xjq s TYR 238 CO 0.31 -3.88 1.49 0.54 0.02 0.00 0.00 175.55 174.03 1xjq s VAL 239 N 0.36 2.28 0.12 0.71 0.11 -0.20 -4.83 120.40 118.95 1xjq s VAL 239 Ca 0.67 0.26 -0.35 0.00 -2.93 0.00 0.00 61.98 59.63 1xjq s VAL 239 Cb -0.49 -3.16 -0.17 0.00 -1.53 0.00 0.00 36.38 31.03 1xjq s VAL 239 CO 0.43 0.05 1.07 -2.65 -3.33 0.00 0.00 175.10 170.67 1xjq n PRO 240 N 1.51 0.67 -0.33 1.54 -0.02 -1.26 -4.75 135.00 132.36 1xjq n PRO 240 Ca 0.05 0.24 0.27 0.00 -2.02 0.00 0.00 63.50 62.04 1xjq n PRO 240 Cb 0.39 -1.69 0.52 0.00 -0.02 0.00 0.00 33.50 32.70 1xjq n PRO 240 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xjq h GLU 241 N 3.08 0.10 0.00 -0.52 -0.00 -1.97 0.57 114.58 115.84 1xjq h GLU 241 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1xjq h GLU 241 Cb 1.38 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.11 1xjq h GLU 241 CO 0.68 0.07 0.00 -2.95 -0.00 0.00 0.00 179.01 176.80 1xjq h ASN 242 N 0.10 0.00 0.00 3.06 7.08 -2.04 -2.49 115.58 121.30 1xjq h ASN 242 Ca 0.78 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 54.00 1xjq h ASN 242 Cb 1.95 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.19 1xjq h ASN 242 CO -0.73 0.00 -0.53 0.29 -2.08 0.00 0.00 177.43 174.38 1xjq n LYS 243 N -2.37 1.04 -0.02 4.14 4.76 0.09 -4.68 118.16 121.12 1xjq n LYS 243 Ca 0.04 -0.85 -0.09 0.00 -2.87 0.00 0.00 58.31 54.55 1xjq n LYS 243 Cb 0.39 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 1xjq n LYS 243 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1xjq h LEU 244 N 2.08 -0.60 -0.55 -0.35 5.85 -0.79 -1.21 115.31 119.74 1xjq h LEU 244 Ca 0.00 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1xjq h LEU 244 Cb 0.71 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1xjq h LEU 244 CO 0.00 -0.24 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.03 1xjq h HIS 245 N -0.22 1.16 -0.30 1.25 2.76 -1.83 0.10 115.15 118.07 1xjq h HIS 245 Ca 0.11 -0.24 0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1xjq h HIS 245 Cb 0.39 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 1xjq h HIS 245 CO -0.32 1.07 0.06 1.25 -1.30 0.00 0.00 177.93 178.69 1xjq h LEU 246 N 0.92 0.02 -0.68 0.26 7.12 -1.84 -0.00 115.31 121.12 1xjq h LEU 246 Ca 0.14 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.16 1xjq h LEU 246 Cb 0.67 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 1xjq h LEU 246 CO 0.05 0.05 0.26 0.00 -0.13 0.00 0.00 178.44 178.67 1xjq h ALA 247 N 1.22 0.88 -0.23 1.25 0.00 0.06 0.54 119.26 122.98 1xjq h ALA 247 Ca 0.14 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xjq h ALA 247 Cb 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1xjq h ALA 247 CO -0.18 0.51 -0.13 0.87 0.00 0.00 0.00 179.25 180.33 1xjq h LYS 248 N 0.97 -0.10 0.52 0.00 1.57 -0.68 1.25 116.57 120.10 1xjq h LYS 248 Ca 0.23 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1xjq h LYS 248 Cb 0.22 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1xjq h LYS 248 CO -0.02 -0.07 -0.48 1.15 -0.57 0.00 0.00 179.45 179.47 1xjq h THR 249 N -0.11 0.06 -0.98 -0.16 2.02 -0.46 -1.06 112.91 112.22 1xjq h THR 249 Ca 0.13 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.57 1xjq h THR 249 Cb 0.29 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 66.63 1xjq h THR 249 CO -0.30 0.00 0.54 -0.78 0.37 0.00 0.00 175.52 175.35 1xjq h ASP 250 N -0.99 0.54 0.25 4.18 3.58 0.46 0.25 116.42 124.69 1xjq h ASP 250 Ca -0.06 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1xjq h ASP 250 Cb 0.85 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 1xjq h ASP 250 CO -0.04 0.01 -0.13 0.00 -2.88 0.00 0.00 179.24 176.20 1xjq h ALA 251 N 1.76 1.48 -0.46 -0.78 0.00 0.28 -2.50 119.26 119.04 1xjq h ALA 251 Ca 0.65 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.32 1xjq h ALA 251 Cb 1.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1xjq h ALA 251 CO -0.53 0.16 -0.19 1.49 0.00 0.00 0.00 179.25 180.19 1xjq h GLU 252 N 0.00 0.91 0.00 0.00 4.57 0.68 -2.92 114.58 117.82 1xjq h GLU 252 Ca -0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1xjq h GLU 252 Cb 0.29 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1xjq h GLU 252 CO 0.02 1.01 0.00 0.25 -1.18 0.00 0.00 179.01 179.11 1xjq n THR 253 N -4.12 0.75 -3.57 0.32 -2.24 -0.94 -4.88 114.28 99.60 1xjq n THR 253 Ca 0.01 0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.70 1xjq n THR 253 Cb 0.43 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 1xjq n THR 253 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xjq s LEU 254 N -2.69 4.16 1.15 3.22 1.43 -1.10 -5.08 118.68 119.76 1xjq s LEU 254 Ca 0.11 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 1xjq s LEU 254 Cb 0.09 -3.28 0.28 0.00 0.03 0.00 0.00 46.19 43.31 1xjq s LEU 254 CO 0.22 -0.12 1.03 -2.84 0.23 0.00 0.00 176.35 174.88 1xjq s PRO 255 N -3.53 -0.83 0.03 1.29 0.02 -1.26 -4.73 135.00 126.00 1xjq s PRO 255 Ca 0.40 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.17 1xjq s PRO 255 Cb -0.11 -1.57 -0.02 0.00 0.02 0.00 0.00 34.50 32.82 1xjq s PRO 255 CO 0.30 -3.64 -0.04 0.00 -0.33 0.00 0.00 177.00 173.29 1xjq s ALA 256 N -2.54 0.30 -0.08 -1.55 0.00 -1.26 -1.29 121.76 115.33 1xjq s ALA 256 Ca 0.68 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1xjq s ALA 256 Cb -0.24 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1xjq s ALA 256 CO 0.64 -0.17 -0.09 -1.17 0.00 0.00 0.00 175.76 174.96 1xjq s LEU 257 N -1.77 1.41 -0.10 0.00 2.96 0.10 -4.92 118.68 116.36 1xjq s LEU 257 Ca -0.10 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.27 1xjq s LEU 257 Cb -0.07 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 1xjq s LEU 257 CO -0.02 -0.04 0.83 -0.54 -1.32 0.00 0.00 176.35 175.26 1xjq s LYS 258 N 1.13 4.41 0.31 1.98 1.02 -1.26 -0.46 119.74 126.87 1xjq s LYS 258 Ca -0.06 1.08 0.09 0.00 0.02 0.00 0.00 55.97 57.10 1xjq s LYS 258 Cb -0.14 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1xjq s LYS 258 CO -0.02 -0.14 0.09 0.96 -0.92 0.00 0.00 175.35 175.33 1xjq s ILE 259 N 1.46 3.22 0.28 2.17 -4.36 -0.38 -4.91 121.20 118.69 1xjq s ILE 259 Ca 0.42 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1xjq s ILE 259 Cb -0.18 -2.95 0.04 0.00 1.25 0.00 0.00 42.46 40.62 1xjq s ILE 259 CO 0.18 -0.25 0.33 -0.46 0.24 0.00 0.00 174.94 174.98 1xjq n ASN 260 N -1.06 1.27 0.05 4.36 0.23 -1.26 -4.53 115.26 114.31 1xjq n ASN 260 Ca -0.04 -1.80 -0.11 0.00 -0.53 0.00 0.00 54.58 52.10 1xjq n ASN 260 Cb 0.60 -0.15 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 1xjq n ASN 260 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xjq h LYS 261 N 0.00 0.43 -0.74 -3.83 3.64 -2.00 -1.83 116.57 112.24 1xjq h LYS 261 Ca -0.14 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1xjq h LYS 261 Cb 0.61 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1xjq h LYS 261 CO 0.21 1.00 0.25 0.28 -2.27 0.00 0.00 179.45 178.92 1xjq h VAL 262 N 0.29 1.26 -0.22 2.00 2.07 -2.00 -1.00 116.25 118.66 1xjq h VAL 262 Ca -0.04 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1xjq h VAL 262 Cb 1.34 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1xjq h VAL 262 CO 0.13 0.35 0.08 0.44 0.02 0.00 0.00 177.57 178.59 1xjq h ASP 263 N 1.09 0.11 -0.62 0.57 3.32 -1.94 -1.64 116.42 117.31 1xjq h ASP 263 Ca 0.24 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1xjq h ASP 263 Cb 0.29 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1xjq h ASP 263 CO -0.01 0.09 0.33 -0.03 -1.72 0.00 0.00 179.24 177.91 1xjq h MET 264 N 0.19 0.90 -0.15 3.56 4.05 -1.11 0.52 114.93 122.90 1xjq h MET 264 Ca 0.09 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1xjq h MET 264 Cb 0.05 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1xjq h MET 264 CO -0.09 0.68 -0.26 1.96 0.23 0.00 0.00 176.91 179.43 1xjq h GLN 265 N 0.90 0.26 -0.22 0.39 4.20 -0.44 -1.48 115.11 118.73 1xjq h GLN 265 Ca 0.23 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.70 1xjq h GLN 265 Cb 0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1xjq h GLN 265 CO -0.03 0.51 -0.49 -1.49 -0.67 0.00 0.00 178.83 176.66 1xjq h TRP 266 N 0.24 0.73 -0.43 2.96 -0.00 -0.25 0.04 115.95 119.26 1xjq h TRP 266 Ca 0.04 -0.24 0.10 0.00 -0.00 0.00 0.00 58.89 58.79 1xjq h TRP 266 Cb 0.59 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 1xjq h TRP 266 CO 0.01 0.97 0.30 0.28 -0.00 0.00 0.00 178.44 180.00 1xjq h VAL 267 N 0.47 0.83 0.17 1.49 2.07 0.53 0.55 116.25 122.37 1xjq h VAL 267 Ca 0.02 -0.03 -0.32 0.00 0.82 0.00 0.00 66.70 67.19 1xjq h VAL 267 Cb 1.03 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1xjq h VAL 267 CO 0.10 0.02 -1.55 -0.61 0.02 0.00 0.00 177.57 175.54 1xjq h GLN 268 N 0.10 0.36 -0.53 1.57 4.15 -0.69 -0.50 115.11 119.57 1xjq h GLN 268 Ca 0.20 -0.61 0.11 0.00 0.77 0.00 0.00 58.65 59.12 1xjq h GLN 268 Cb 0.67 0.23 -0.10 0.00 0.21 0.00 0.00 27.48 28.48 1xjq h GLN 268 CO -0.02 1.26 -0.19 0.28 -1.93 0.00 0.00 178.83 178.22 1xjq h VAL 269 N 0.10 0.37 -0.34 2.39 2.07 -0.60 -2.49 116.25 117.75 1xjq h VAL 269 Ca -0.26 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1xjq h VAL 269 Cb 2.07 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1xjq h VAL 269 CO 0.20 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.70 1xjq h LEU 270 N -0.07 0.61 -0.78 2.57 3.38 -0.71 -2.66 115.31 117.66 1xjq h LEU 270 Ca 0.25 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 58.02 1xjq h LEU 270 Cb 0.45 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1xjq h LEU 270 CO -0.58 0.78 0.39 0.00 0.09 0.00 0.00 178.44 179.12 1xjq h ALA 271 N 0.85 1.11 -0.00 1.53 0.00 -1.03 -0.16 119.26 121.56 1xjq h ALA 271 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xjq h ALA 271 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xjq h ALA 271 CO 0.02 -0.06 -0.17 0.39 0.00 0.00 0.00 179.25 179.43 1xjq n GLU 272 N -4.87 0.32 -0.10 0.00 1.02 -0.94 -0.64 120.64 115.43 1xjq n GLU 272 Ca 0.14 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1xjq n GLU 272 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1xjq n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xjq n GLY 273 N 1.40 0.76 0.22 0.62 0.00 -0.07 -4.25 105.19 103.86 1xjq n GLY 273 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1xjq n GLY 273 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xjq h TRP 274 N 0.00 0.00 -0.90 1.61 4.06 -1.68 -2.36 115.95 116.68 1xjq h TRP 274 Ca 0.00 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.54 1xjq h TRP 274 Cb 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 29.16 27.91 1xjq h TRP 274 CO 0.00 0.25 0.52 0.00 -3.56 0.00 0.00 178.44 175.65 1xjq n ALA 275 N -2.30 5.23 -1.64 1.49 0.00 -1.26 -4.57 120.51 117.46 1xjq n ALA 275 Ca -0.01 -2.66 -0.43 0.00 0.00 0.00 0.00 53.44 50.34 1xjq n ALA 275 Cb 0.38 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1xjq n ALA 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xjq n THR 276 N -0.79 2.08 -0.73 0.00 -1.04 -0.89 -0.86 114.28 112.05 1xjq n THR 276 Ca 0.53 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.86 1xjq n THR 276 Cb 1.57 -1.26 0.15 0.00 -1.82 0.00 0.00 70.33 68.97 1xjq n THR 276 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xjq n PRO 277 N 0.55 2.08 -1.66 -2.82 -0.04 -1.26 -4.87 135.00 126.97 1xjq n PRO 277 Ca 0.08 -2.36 -0.40 0.00 -0.04 0.00 0.00 63.50 60.77 1xjq n PRO 277 Cb 0.35 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1xjq n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xjq n LEU 278 N -0.73 3.73 -0.96 1.53 4.77 -0.04 -4.88 117.00 120.42 1xjq n LEU 278 Ca 0.46 1.01 0.12 0.00 -0.03 0.00 0.00 56.01 57.57 1xjq n LEU 278 Cb 1.40 -1.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.21 1xjq n LEU 278 CO 0.47 -1.11 0.67 0.59 -1.33 0.00 0.00 177.39 176.67 1xjq n ASN 279 N -0.03 2.96 0.00 -1.43 3.02 -1.26 -4.96 115.26 113.56 1xjq n ASN 279 Ca 0.09 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1xjq n ASN 279 Cb 0.41 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1xjq n ASN 279 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xjq n GLY 280 N 1.37 -0.74 3.77 7.41 0.00 -1.24 -0.94 105.19 114.81 1xjq n GLY 280 Ca 0.16 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1xjq n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjq s PHE 281 N -3.00 2.63 0.19 1.61 0.40 -1.19 -4.86 117.98 113.76 1xjq s PHE 281 Ca 0.00 1.29 -0.33 0.00 -0.60 0.00 0.00 56.93 57.29 1xjq s PHE 281 Cb 0.00 -3.86 -0.13 0.00 0.51 0.00 0.00 43.02 39.54 1xjq s PHE 281 CO 0.00 -2.65 1.62 -1.33 0.70 0.00 0.00 175.22 173.56 1xjq n MET 282 N 0.14 2.41 -1.56 0.44 2.81 0.85 -2.26 117.12 119.95 1xjq n MET 282 Ca 0.03 0.87 -0.29 0.00 -1.81 0.00 0.00 57.70 56.50 1xjq n MET 282 Cb 0.42 -2.66 0.13 0.00 -0.71 0.00 0.00 33.22 30.40 1xjq n MET 282 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1xjq s ARG 283 N 0.81 1.18 0.17 0.03 0.52 -1.26 -3.73 118.95 116.67 1xjq s ARG 283 Ca 0.76 0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 56.09 1xjq s ARG 283 Cb -0.60 -1.84 0.12 0.00 0.52 0.00 0.00 34.95 33.15 1xjq s ARG 283 CO 0.37 -2.17 1.68 1.49 0.02 0.00 0.00 175.30 176.70 1xjq h GLU 284 N -1.48 0.07 -0.69 3.54 4.81 -1.94 0.18 114.58 119.06 1xjq h GLU 284 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xjq h GLU 284 Cb 1.33 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1xjq h GLU 284 CO 0.62 0.04 0.44 -0.09 -0.73 0.00 0.00 179.01 179.29 1xjq h ARG 285 N 0.07 0.92 -0.35 1.92 2.43 -1.99 0.23 114.38 117.61 1xjq h ARG 285 Ca 0.21 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1xjq h ARG 285 Cb 0.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xjq h ARG 285 CO -0.38 0.64 -0.41 0.93 -1.51 0.00 0.00 179.97 179.24 1xjq h GLU 286 N 0.94 0.87 -0.69 0.20 5.08 -1.59 -2.19 114.58 117.20 1xjq h GLU 286 Ca 0.25 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1xjq h GLU 286 Cb -0.07 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1xjq h GLU 286 CO -0.05 1.11 0.28 -0.92 -1.00 0.00 0.00 179.01 178.43 1xjq h TYR 287 N 0.70 1.05 -0.16 4.33 3.20 -0.02 -0.14 116.97 125.92 1xjq h TYR 287 Ca 0.05 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 1xjq h TYR 287 Cb 0.99 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1xjq h TYR 287 CO 0.06 0.81 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.85 1xjq h LEU 288 N 0.98 0.45 -0.67 2.82 3.38 -0.93 -1.00 115.31 120.33 1xjq h LEU 288 Ca 0.23 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1xjq h LEU 288 Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1xjq h LEU 288 CO -0.02 0.85 0.20 1.56 0.09 0.00 0.00 178.44 181.12 1xjq h GLN 289 N 0.33 1.05 -0.15 1.13 4.20 -1.12 -0.53 115.11 120.02 1xjq h GLN 289 Ca 0.02 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1xjq h GLN 289 Cb 0.95 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1xjq h GLN 289 CO 0.08 0.92 -0.01 0.00 -0.67 0.00 0.00 178.83 179.15 1xjq h LEU 291 N 0.01 0.63 0.07 0.00 3.38 -0.92 -0.98 115.31 117.51 1xjq h LEU 291 Ca 0.04 -0.26 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 1xjq h LEU 291 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xjq h LEU 291 CO 0.01 0.92 -1.90 1.41 0.09 0.00 0.00 178.44 178.97 1xjq n HIS 292 N -4.07 1.14 0.28 1.13 8.25 -0.23 -4.62 115.22 117.10 1xjq n HIS 292 Ca -0.01 0.30 0.03 0.00 -0.26 0.00 0.00 57.72 57.78 1xjq n HIS 292 Cb 0.47 -1.17 -0.00 0.00 1.12 0.00 0.00 29.99 30.41 1xjq n HIS 292 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xjq n PHE 293 N -3.30 0.00 -1.39 4.41 0.99 0.13 -4.99 117.46 113.30 1xjq n PHE 293 Ca -0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.05 1xjq n PHE 293 Cb 1.05 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 39.47 1xjq n PHE 293 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1xjq n ASP 294 N -0.39 -5.33 -3.93 4.37 9.92 -0.37 -4.96 116.55 115.86 1xjq n ASP 294 Ca 0.03 0.33 -0.10 0.00 -0.53 0.00 0.00 54.79 54.52 1xjq n ASP 294 Cb 0.13 -4.02 -0.10 0.00 -0.64 0.00 0.00 41.12 36.49 1xjq n ASP 294 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xjq s LEU 296 N -1.60 4.43 -0.01 0.00 1.43 0.14 -3.83 118.68 119.25 1xjq s LEU 296 Ca -0.13 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 1xjq s LEU 296 Cb -0.07 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.23 1xjq s LEU 296 CO -0.01 0.18 0.25 0.18 0.23 0.00 0.00 176.35 177.18 1xjq n LEU 297 N 2.43 0.13 -4.64 1.79 4.77 -1.26 -0.59 117.00 119.64 1xjq n LEU 297 Ca -0.09 -0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.30 1xjq n LEU 297 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1xjq n LEU 297 CO 0.41 0.03 1.49 -1.81 -1.33 0.00 0.00 177.39 176.19 1xjq s ASP 298 N -2.64 6.31 0.00 -1.43 1.01 -1.26 -2.50 116.67 116.16 1xjq s ASP 298 Ca -0.01 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.25 1xjq s ASP 298 Cb 0.06 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1xjq s ASP 298 CO 0.37 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 175.10 1xjq n GLY 299 N 4.70 0.45 0.00 0.21 0.00 -1.26 -4.60 105.19 104.69 1xjq n GLY 299 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1xjq n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjq n GLY 300 N -2.91 3.77 3.66 -0.02 0.00 -1.04 0.91 105.19 109.56 1xjq n GLY 300 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1xjq n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjq s VAL 301 N -2.54 4.72 -0.13 1.61 1.01 -1.26 -4.09 120.40 119.72 1xjq s VAL 301 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1xjq s VAL 301 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1xjq s VAL 301 CO 0.00 -0.14 -0.13 -0.63 0.00 0.00 0.00 175.10 174.20 1xjq s ILE 302 N 3.02 1.43 0.05 2.22 -1.09 0.24 -4.63 121.20 122.45 1xjq s ILE 302 Ca 0.42 -0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 57.98 1xjq s ILE 302 Cb -0.15 -1.35 -0.08 0.00 -1.58 0.00 0.00 42.46 39.29 1xjq s ILE 302 CO 0.07 0.43 1.72 0.21 -1.23 0.00 0.00 174.94 176.15 1xjq s ASN 303 N 1.41 6.57 -0.29 3.58 3.84 -1.26 0.28 114.94 129.06 1xjq s ASN 303 Ca 0.02 2.51 0.01 0.00 0.21 0.00 0.00 52.86 55.61 1xjq s ASN 303 Cb -0.13 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 38.21 1xjq s ASN 303 CO -0.08 -0.93 0.71 -0.22 -2.79 0.00 0.00 177.10 173.78 1xjq s LEU 304 N 3.13 -1.30 0.00 3.21 0.20 -0.44 -4.82 118.68 118.67 1xjq s LEU 304 Ca 0.77 0.27 0.20 0.00 0.69 0.00 0.00 54.13 56.05 1xjq s LEU 304 Cb -0.40 1.87 0.06 0.00 -0.43 0.00 0.00 46.19 47.29 1xjq s LEU 304 CO 0.34 -0.24 1.04 -1.54 -0.29 0.00 0.00 176.35 175.66 1xjq n SER 305 N 5.36 2.18 -4.09 3.68 3.41 -1.21 -3.36 113.62 119.60 1xjq n SER 305 Ca 0.04 -1.59 -0.24 0.00 -0.26 0.00 0.00 58.87 56.82 1xjq n SER 305 Cb 0.54 0.27 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 1xjq n SER 305 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xjq s VAL 306 N -1.96 1.20 0.40 -3.33 -7.23 -1.26 -4.85 120.40 103.36 1xjq s VAL 306 Ca 0.19 -0.59 -0.26 0.00 -1.81 0.00 0.00 61.98 59.50 1xjq s VAL 306 Cb 0.16 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.96 1xjq s VAL 306 CO 0.38 0.35 1.28 -2.65 -0.31 0.00 0.00 175.10 174.16 1xjq n PRO 307 N 3.15 2.01 -3.68 4.82 -0.02 -1.26 -4.96 135.00 135.06 1xjq n PRO 307 Ca -0.18 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 1xjq n PRO 307 Cb 0.54 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1xjq n PRO 307 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xjq s ILE 308 N -1.17 1.26 0.14 4.25 1.01 -1.26 -5.09 121.20 120.33 1xjq s ILE 308 Ca 0.59 -2.51 0.06 0.00 0.00 0.00 0.00 60.65 58.79 1xjq s ILE 308 Cb -0.52 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1xjq s ILE 308 CO 0.59 -0.92 -0.14 0.68 0.00 0.00 0.00 174.94 175.15 1xjq s VAL 309 N 0.37 1.36 -0.12 2.92 -7.23 -1.26 -0.10 120.40 116.34 1xjq s VAL 309 Ca 0.19 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1xjq s VAL 309 Cb -0.22 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1xjq s VAL 309 CO -0.01 -0.48 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.98 1xjq s LEU 310 N -2.66 2.92 0.52 1.32 2.96 -1.25 -4.99 118.68 117.51 1xjq s LEU 310 Ca 0.12 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1xjq s LEU 310 Cb -0.03 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1xjq s LEU 310 CO 0.03 0.22 0.73 0.42 -1.32 0.00 0.00 176.35 176.43 1xjq s THR 311 N 0.05 2.71 -0.23 3.68 -4.23 -1.26 -0.35 115.64 116.01 1xjq s THR 311 Ca -0.03 -0.77 -0.27 0.00 -1.18 0.00 0.00 61.69 59.43 1xjq s THR 311 Cb -0.14 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.88 1xjq s THR 311 CO 0.04 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.12 1xjq s ALA 312 N -2.66 -1.95 0.87 3.99 0.00 -0.49 -4.83 121.76 116.70 1xjq s ALA 312 Ca 0.57 1.75 -0.12 0.00 0.00 0.00 0.00 51.96 54.17 1xjq s ALA 312 Cb -0.10 -1.12 0.12 0.00 0.00 0.00 0.00 23.12 22.02 1xjq s ALA 312 CO 0.37 -0.27 1.13 0.95 0.00 0.00 0.00 175.76 177.94 1xjq s THR 313 N -0.31 2.33 0.42 0.00 -4.23 -1.26 -1.41 115.64 111.18 1xjq s THR 313 Ca 0.01 0.11 0.13 0.00 -1.18 0.00 0.00 61.69 60.75 1xjq s THR 313 Cb -0.03 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.28 1xjq s THR 313 CO -0.03 -0.14 1.95 0.45 -0.54 0.00 0.00 174.62 176.31 1xjq h HIS 314 N -1.37 0.53 -0.20 3.99 3.86 -1.97 -0.90 115.15 119.09 1xjq h HIS 314 Ca -0.49 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 58.56 1xjq h HIS 314 Cb 1.31 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1xjq h HIS 314 CO 0.35 0.24 -0.55 0.93 0.86 0.00 0.00 177.93 179.76 1xjq h GLU 315 N 0.48 0.73 -0.01 2.45 3.07 -2.00 -2.43 114.58 116.87 1xjq h GLU 315 Ca 0.32 -0.51 -0.15 0.00 -0.50 0.00 0.00 59.36 58.52 1xjq h GLU 315 Cb 0.60 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1xjq h GLU 315 CO -0.10 1.14 -0.71 -0.44 -1.40 0.00 0.00 179.01 177.50 1xjq h ASP 316 N 0.45 0.07 -0.49 1.42 3.32 -1.83 -2.26 116.42 117.09 1xjq h ASP 316 Ca -0.01 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1xjq h ASP 316 Cb 1.16 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1xjq h ASP 316 CO 0.12 0.75 0.05 0.50 -1.72 0.00 0.00 179.24 178.93 1xjq h LYS 317 N 0.04 0.84 -0.02 3.56 3.64 -1.12 -0.80 116.57 122.70 1xjq h LYS 317 Ca -0.01 -0.24 -0.24 0.00 -1.27 0.00 0.00 60.65 58.88 1xjq h LYS 317 Cb 1.25 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1xjq h LYS 317 CO 0.10 0.85 -0.96 0.93 -2.27 0.00 0.00 179.45 178.10 1xjq h GLU 318 N 0.70 0.57 -0.21 1.90 5.08 -1.36 0.65 114.58 121.91 1xjq h GLU 318 Ca 0.15 -0.59 0.06 0.00 -1.00 0.00 0.00 59.36 57.97 1xjq h GLU 318 Cb 0.44 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1xjq h GLU 318 CO 0.02 1.21 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.96 1xjq h ARG 319 N 0.33 -0.19 0.00 2.33 2.43 -1.33 -3.32 114.38 114.64 1xjq h ARG 319 Ca -0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1xjq h ARG 319 Cb 1.60 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1xjq h ARG 319 CO 0.18 -0.13 -0.97 1.28 -1.51 0.00 0.00 179.97 178.82 1xjq n LEU 320 N -5.34 0.63 -4.69 3.80 4.77 -0.31 -4.85 117.00 111.01 1xjq n LEU 320 Ca -0.01 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1xjq n LEU 320 Cb 0.25 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1xjq n LEU 320 CO 0.18 0.01 1.24 -0.62 -1.33 0.00 0.00 177.39 176.87 1xjq s ASP 321 N -4.06 6.71 0.00 -1.43 2.15 0.20 -1.42 116.67 118.82 1xjq s ASP 321 Ca 0.04 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1xjq s ASP 321 Cb 0.14 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1xjq s ASP 321 CO 0.79 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1xjq n GLY 322 N 3.84 2.18 3.83 2.66 0.00 -1.26 -4.96 105.19 111.48 1xjq n GLY 322 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1xjq n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq n THR 324 N -0.37 0.00 -3.64 0.00 -2.24 -1.26 -4.55 114.28 102.22 1xjq n THR 324 Ca 0.05 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1xjq n THR 324 Cb 0.53 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1xjq n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjq s ALA 325 N -2.19 -2.02 0.10 6.98 0.00 -1.26 -1.10 121.76 122.27 1xjq s ALA 325 Ca 0.29 1.82 -0.12 0.00 0.00 0.00 0.00 51.96 53.96 1xjq s ALA 325 Cb 0.20 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1xjq s ALA 325 CO 0.41 -0.21 0.27 -0.59 0.00 0.00 0.00 175.76 175.64 1xjq s PHE 326 N 0.09 0.01 -0.05 0.00 -0.12 -0.76 -4.47 117.98 112.67 1xjq s PHE 326 Ca 0.04 -0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 56.49 1xjq s PHE 326 Cb -0.05 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1xjq s PHE 326 CO -0.08 -0.60 0.13 0.00 -0.05 0.00 0.00 175.22 174.62 1xjq s ALA 327 N -3.81 3.79 -0.15 1.99 0.00 -0.41 -0.20 121.76 122.96 1xjq s ALA 327 Ca 0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1xjq s ALA 327 Cb 0.04 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1xjq s ALA 327 CO -0.11 0.68 0.15 -0.51 0.00 0.00 0.00 175.76 175.96 1xjq s LEU 328 N -1.49 4.32 -0.24 0.00 1.43 0.40 -0.72 118.68 122.37 1xjq s LEU 328 Ca 0.21 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1xjq s LEU 328 Cb -0.12 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.06 1xjq s LEU 328 CO 0.11 0.31 -0.10 -0.32 0.23 0.00 0.00 176.35 176.58 1xjq s MET 329 N -0.45 2.08 -0.18 1.70 1.75 0.40 0.64 119.30 125.23 1xjq s MET 329 Ca 0.13 -1.17 -0.04 0.00 -1.25 0.00 0.00 55.69 53.35 1xjq s MET 329 Cb -0.12 -2.74 -0.02 0.00 2.84 0.00 0.00 34.83 34.79 1xjq s MET 329 CO 0.02 -0.55 -0.03 -0.47 -0.65 0.00 0.00 175.02 173.35 1xjq s TYR 330 N 1.22 3.01 -1.30 4.11 5.04 -0.39 -1.25 117.35 127.79 1xjq s TYR 330 Ca -0.07 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 1xjq s TYR 330 Cb -0.19 -2.03 -0.00 0.00 0.35 0.00 0.00 41.96 40.08 1xjq s TYR 330 CO -0.06 -0.22 0.64 0.39 -1.34 0.00 0.00 175.55 174.96 1xjq n GLU 331 N 4.06 -3.82 -0.43 4.97 1.02 -1.26 -1.43 120.64 123.74 1xjq n GLU 331 Ca -0.17 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1xjq n GLU 331 Cb 0.52 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 1xjq n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xjq n GLY 332 N -1.69 0.22 3.81 0.62 0.00 -1.26 -4.97 105.19 101.91 1xjq n GLY 332 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1xjq n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjq s ARG 333 N -0.64 4.03 -0.55 1.61 0.52 -0.51 -5.06 118.95 118.34 1xjq s ARG 333 Ca 0.00 0.41 -0.27 0.00 -0.52 0.00 0.00 55.73 55.34 1xjq s ARG 333 Cb 0.00 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1xjq s ARG 333 CO 0.00 0.56 1.74 1.03 0.02 0.00 0.00 175.30 178.65 1xjq s ARG 334 N -0.66 2.91 -0.00 3.54 0.52 -1.26 -1.26 118.95 122.74 1xjq s ARG 334 Ca 0.24 0.70 0.20 0.00 -0.52 0.00 0.00 55.73 56.34 1xjq s ARG 334 Cb -0.16 -4.29 -0.22 0.00 0.52 0.00 0.00 34.95 30.80 1xjq s ARG 334 CO 0.12 -2.39 0.81 1.33 0.02 0.00 0.00 175.30 175.20 1xjq n VAL 335 N 7.15 0.00 -3.59 3.52 0.24 0.21 -4.77 118.33 121.08 1xjq n VAL 335 Ca 0.19 -0.06 -0.05 0.00 -2.04 0.00 0.00 64.34 62.37 1xjq n VAL 335 Cb 0.50 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 1xjq n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjq s ALA 336 N -2.89 -2.03 -0.07 2.33 0.00 -1.20 -1.42 121.76 116.48 1xjq s ALA 336 Ca 0.07 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.64 1xjq s ALA 336 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xjq s ALA 336 CO 0.81 -0.52 -0.20 0.42 0.00 0.00 0.00 175.76 176.26 1xjq s ILE 337 N -2.14 2.46 -0.30 0.00 1.01 0.84 0.15 121.20 123.22 1xjq s ILE 337 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1xjq s ILE 337 Cb -0.01 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1xjq s ILE 337 CO -0.05 0.57 0.02 -0.22 0.00 0.00 0.00 174.94 175.26 1xjq s LEU 338 N -0.21 3.86 0.15 2.97 2.96 0.71 -0.19 118.68 128.93 1xjq s LEU 338 Ca -0.01 -1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 52.71 1xjq s LEU 338 Cb -0.13 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.74 1xjq s LEU 338 CO 0.03 -0.25 0.42 -0.13 -1.32 0.00 0.00 176.35 175.11 1xjq s ARG 339 N 1.32 3.69 -1.12 1.98 0.52 0.36 -1.83 118.95 123.87 1xjq s ARG 339 Ca -0.03 0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.16 1xjq s ARG 339 Cb -0.19 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1xjq s ARG 339 CO -0.00 0.45 0.88 0.09 0.02 0.00 0.00 175.30 176.73 1xjq n ASN 340 N 0.19 -4.95 -4.82 0.23 3.02 -0.26 -1.28 115.26 107.39 1xjq n ASN 340 Ca -0.03 -0.77 -0.32 0.00 -0.03 0.00 0.00 54.58 53.43 1xjq n ASN 340 Cb 0.52 -4.70 -0.01 0.00 -0.61 0.00 0.00 39.78 34.98 1xjq n ASN 340 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xjq s PRO 341 N -5.06 3.59 0.04 3.52 0.04 -1.26 -4.57 135.00 131.30 1xjq s PRO 341 Ca 0.33 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.52 1xjq s PRO 341 Cb -0.06 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1xjq s PRO 341 CO 0.77 -0.58 -0.12 -1.83 0.04 0.00 0.00 177.00 175.28 1xjq s GLU 342 N -4.05 0.83 -0.15 4.56 -1.05 0.19 -4.96 118.70 114.07 1xjq s GLU 342 Ca 0.62 -0.71 -0.04 0.00 -0.15 0.00 0.00 54.97 54.69 1xjq s GLU 342 Cb -0.14 -0.81 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 1xjq s GLU 342 CO 0.34 0.20 -0.03 -0.06 0.95 0.00 0.00 175.26 176.66 1xjq s PHE 343 N -0.86 3.04 0.14 4.83 0.40 -1.26 -1.08 117.98 123.20 1xjq s PHE 343 Ca 0.00 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1xjq s PHE 343 Cb -0.08 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1xjq s PHE 343 CO 0.01 0.01 0.31 -0.59 0.70 0.00 0.00 175.22 175.66 1xjq s PHE 344 N 0.26 0.19 0.26 0.36 -0.12 -0.31 -4.96 117.98 113.66 1xjq s PHE 344 Ca -0.03 -0.56 -0.29 0.00 -0.05 0.00 0.00 56.93 56.00 1xjq s PHE 344 Cb -0.14 0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.20 1xjq s PHE 344 CO 0.03 -0.70 1.20 -1.21 -0.05 0.00 0.00 175.22 174.49 1xjq s GLU 345 N -3.91 4.50 -0.97 1.99 2.02 -1.26 -0.25 118.70 120.82 1xjq s GLU 345 Ca 0.11 1.96 -0.16 0.00 0.02 0.00 0.00 54.97 56.90 1xjq s GLU 345 Cb 0.03 -3.17 0.17 0.00 0.10 0.00 0.00 34.13 31.26 1xjq s GLU 345 CO -0.05 -0.02 1.10 -1.58 0.02 0.00 0.00 175.26 174.74 1xjq s HIS 346 N -0.75 3.42 -0.91 1.61 5.65 -0.05 -4.70 115.29 119.55 1xjq s HIS 346 Ca 0.49 -1.76 -0.24 0.00 0.25 0.00 0.00 55.06 53.80 1xjq s HIS 346 Cb -0.35 -4.15 0.03 0.00 -1.18 0.00 0.00 32.58 26.93 1xjq s HIS 346 CO 0.43 -1.32 1.51 1.03 -0.65 0.00 0.00 174.74 175.74 1xjq s ARG 347 N 1.63 3.28 0.08 2.88 1.81 -1.26 -4.71 118.95 122.65 1xjq s ARG 347 Ca 0.31 -0.67 -0.15 0.00 -1.72 0.00 0.00 55.73 53.49 1xjq s ARG 347 Cb -0.06 -4.97 -0.14 0.00 -0.45 0.00 0.00 34.95 29.33 1xjq s ARG 347 CO -0.08 -2.40 1.31 0.87 -0.68 0.00 0.00 175.30 174.32 1xjq h LYS 348 N 10.41 0.66 -0.34 3.54 1.57 -1.95 -0.76 116.57 129.69 1xjq h LYS 348 Ca 0.04 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1xjq h LYS 348 Cb 1.03 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1xjq h LYS 348 CO 1.35 1.10 0.13 1.49 -0.57 0.00 0.00 179.45 182.94 1xjq h GLU 349 N 0.34 0.52 -0.73 3.15 4.81 -1.99 -1.42 114.58 119.26 1xjq h GLU 349 Ca -0.02 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1xjq h GLU 349 Cb 1.14 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1xjq h GLU 349 CO 0.11 0.52 0.29 1.49 -0.73 0.00 0.00 179.01 180.69 1xjq h GLU 350 N 0.40 1.09 -0.21 1.92 4.81 -1.95 -1.37 114.58 119.26 1xjq h GLU 350 Ca 0.11 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1xjq h GLU 350 Cb 0.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xjq h GLU 350 CO -0.01 0.90 0.11 -0.09 -0.73 0.00 0.00 179.01 179.19 1xjq h ARG 351 N 1.05 0.30 0.21 1.92 2.43 -1.05 -0.77 114.38 118.48 1xjq h ARG 351 Ca 0.24 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1xjq h ARG 351 Cb 0.22 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1xjq h ARG 351 CO -0.02 0.30 -0.10 0.00 -1.51 0.00 0.00 179.97 178.64 1xjq h ALA 353 N 0.44 0.13 -0.33 0.00 0.00 -1.17 0.19 119.26 118.53 1xjq h ALA 353 Ca -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1xjq h ALA 353 Cb 0.26 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xjq h ALA 353 CO 0.05 -0.57 -0.31 0.00 0.00 0.00 0.00 179.25 178.41 1xjq h ARG 354 N -0.11 0.71 -0.00 0.00 3.08 -0.98 0.78 114.38 117.86 1xjq h ARG 354 Ca 0.25 -0.32 -0.26 0.00 0.07 0.00 0.00 59.98 59.72 1xjq h ARG 354 Cb 0.51 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.57 1xjq h ARG 354 CO -0.63 0.93 -1.01 0.37 -1.07 0.00 0.00 179.97 178.56 1xjq h GLN 355 N 0.60 0.69 -0.00 0.04 4.15 -0.94 -3.37 115.11 116.28 1xjq h GLN 355 Ca 0.07 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.75 1xjq h GLN 355 Cb 0.83 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1xjq h GLN 355 CO 0.07 1.32 -0.57 0.91 -1.93 0.00 0.00 178.83 178.63 1xjq n TRP 356 N -3.88 0.00 -1.83 3.99 8.01 0.67 -4.72 117.44 119.68 1xjq n TRP 356 Ca -0.11 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.93 1xjq n TRP 356 Cb 0.87 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.13 1xjq n TRP 356 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xjq n GLY 357 N 1.28 0.69 3.52 6.99 0.00 0.27 -4.99 105.19 112.95 1xjq n GLY 357 Ca 0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1xjq n GLY 357 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xjq s THR 358 N -2.64 0.00 -0.88 2.61 -1.32 -1.25 -5.02 115.64 107.14 1xjq s THR 358 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1xjq s THR 358 Cb 0.00 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 1xjq s THR 358 CO 0.00 0.00 1.25 0.35 -2.21 0.00 0.00 174.62 174.01 1xjq n THR 359 N 0.50 1.03 -1.26 5.08 -2.24 -1.26 -3.43 114.28 112.68 1xjq n THR 359 Ca -0.15 -1.02 -0.58 0.00 -2.27 0.00 0.00 64.05 60.03 1xjq n THR 359 Cb 0.59 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 1xjq n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjq h LYS 361 N 9.19 0.12 -0.51 0.00 1.57 -1.96 -2.25 116.57 122.74 1xjq h LYS 361 Ca -0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xjq h LYS 361 Cb 1.40 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1xjq h LYS 361 CO 1.11 0.08 0.00 0.09 -0.57 0.00 0.00 179.45 180.16 1xjq n ASN 362 N -4.35 3.28 -4.74 0.86 3.02 -1.26 -3.81 115.26 108.27 1xjq n ASN 362 Ca 0.27 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.44 1xjq n ASN 362 Cb 1.17 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1xjq n ASN 362 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xjq s HIS 363 N -1.33 3.41 0.25 3.10 5.65 -0.85 -4.85 115.29 120.67 1xjq s HIS 363 Ca 0.41 1.41 0.17 0.00 0.25 0.00 0.00 55.06 57.29 1xjq s HIS 363 Cb 0.22 -3.44 0.69 0.00 -1.18 0.00 0.00 32.58 28.87 1xjq s HIS 363 CO 0.30 -1.25 1.76 -1.00 -0.65 0.00 0.00 174.74 173.90 1xjq h PRO 364 N 5.23 0.00 0.20 2.88 0.13 -1.89 0.28 132.00 138.82 1xjq h PRO 364 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1xjq h PRO 364 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1xjq h PRO 364 CO 0.75 0.40 -1.41 -0.92 -0.23 0.00 0.00 178.00 176.59 1xjq h TYR 365 N 0.00 0.76 -0.82 1.56 5.03 -1.91 -3.19 116.97 118.40 1xjq h TYR 365 Ca -0.00 -0.55 0.10 0.00 2.58 0.00 0.00 58.73 60.85 1xjq h TYR 365 Cb 0.84 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 39.02 1xjq h TYR 365 CO 0.00 1.54 0.46 0.82 -1.32 0.00 0.00 178.16 179.67 1xjq h ILE 366 N -0.03 0.90 -0.73 1.81 2.04 -1.78 -0.80 117.51 118.92 1xjq h ILE 366 Ca -0.26 -0.27 0.14 0.00 1.00 0.00 0.00 64.86 65.47 1xjq h ILE 366 Cb 1.99 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 38.03 1xjq h ILE 366 CO 0.20 0.14 0.25 0.50 0.00 0.00 0.00 178.15 179.24 1xjq h LYS 367 N 0.78 0.37 -0.68 2.37 3.64 -0.49 0.36 116.57 122.91 1xjq h LYS 367 Ca 0.40 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1xjq h LYS 367 Cb 0.37 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1xjq h LYS 367 CO -0.25 0.24 0.20 0.52 -2.27 0.00 0.00 179.45 177.89 1xjq h MET 368 N 0.38 1.07 -0.64 1.90 2.86 -1.30 -2.70 114.93 116.50 1xjq h MET 368 Ca 0.40 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1xjq h MET 368 Cb 0.63 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1xjq h MET 368 CO -0.43 0.94 0.34 0.28 1.06 0.00 0.00 176.91 179.10 1xjq h VAL 369 N 1.01 1.21 0.00 -2.22 2.07 0.23 -1.84 116.25 116.70 1xjq h VAL 369 Ca 0.22 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1xjq h VAL 369 Cb 0.33 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xjq h VAL 369 CO -0.00 0.23 -0.01 0.24 0.02 0.00 0.00 177.57 178.04 1xjq h MET 370 N 0.88 0.00 -0.00 1.57 2.07 -0.05 -2.10 114.93 117.30 1xjq h MET 370 Ca 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 1xjq h MET 370 Cb 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1xjq h MET 370 CO -0.03 0.01 -0.39 0.39 1.07 0.00 0.00 176.91 177.96 1xjq n GLU 371 N -3.36 0.38 -1.78 1.72 1.02 -0.71 -4.92 120.64 113.00 1xjq n GLU 371 Ca -0.03 -0.22 -0.29 0.00 -0.02 0.00 0.00 57.16 56.60 1xjq n GLU 371 Cb 0.11 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.17 1xjq n GLU 371 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xjq s GLN 372 N -2.77 1.14 1.13 3.49 -0.21 -0.79 -5.05 119.66 116.59 1xjq s GLN 372 Ca 0.17 -0.03 -0.16 0.00 0.02 0.00 0.00 55.36 55.36 1xjq s GLN 372 Cb 0.18 -1.87 0.25 0.00 1.00 0.00 0.00 33.01 32.58 1xjq s GLN 372 CO 0.62 -2.14 1.08 0.20 -2.12 0.00 0.00 175.29 172.93 1xjq s GLY 373 N -4.52 1.55 0.00 3.09 0.00 -1.26 -4.95 107.32 101.24 1xjq s GLY 373 Ca 0.67 -0.60 0.24 0.00 0.00 0.00 0.00 44.72 45.03 1xjq s GLY 373 CO 0.52 0.16 1.40 1.22 0.00 0.00 0.00 173.10 176.40 1xjq n ASP 374 N -4.61 2.94 -4.40 1.64 9.92 -1.02 -4.64 116.55 116.39 1xjq n ASP 374 Ca 0.08 -1.92 -0.28 0.00 -0.53 0.00 0.00 54.79 52.14 1xjq n ASP 374 Cb 0.58 -0.13 -0.12 0.00 -0.64 0.00 0.00 41.12 40.81 1xjq n ASP 374 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1xjq s TRP 375 N -1.74 2.27 0.23 1.24 0.52 -0.50 -0.87 118.94 120.08 1xjq s TRP 375 Ca 0.34 -0.38 0.12 0.00 0.02 0.00 0.00 56.10 56.20 1xjq s TRP 375 Cb 0.21 -1.19 -0.05 0.00 -1.15 0.00 0.00 33.47 31.30 1xjq s TRP 375 CO 0.31 0.39 -0.22 -0.51 0.02 0.00 0.00 176.95 176.93 1xjq s LEU 376 N -2.28 2.50 -0.07 2.99 1.43 0.65 -1.40 118.68 122.50 1xjq s LEU 376 Ca 0.16 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1xjq s LEU 376 Cb -0.09 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.02 1xjq s LEU 376 CO 0.07 0.08 -0.02 -0.63 0.23 0.00 0.00 176.35 176.09 1xjq s ILE 377 N -2.02 0.50 0.24 -0.59 1.01 0.53 -1.16 121.20 119.71 1xjq s ILE 377 Ca 0.24 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.99 1xjq s ILE 377 Cb -0.07 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1xjq s ILE 377 CO 0.12 0.27 0.03 -0.83 0.00 0.00 0.00 174.94 174.52 1xjq s GLY 378 N 1.68 1.63 0.00 6.18 0.00 -0.24 -3.80 107.32 112.77 1xjq s GLY 378 Ca 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.18 1xjq s GLY 378 CO -0.04 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1xjq n GLY 379 N -0.76 -1.31 3.63 0.20 0.00 -0.96 0.53 105.19 106.52 1xjq n GLY 379 Ca -0.07 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 1xjq n GLY 379 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjq s ASP 380 N -3.55 6.39 -0.22 1.61 -0.00 -0.40 -3.19 116.67 117.31 1xjq s ASP 380 Ca 0.00 0.46 -0.12 0.00 -0.00 0.00 0.00 52.55 52.89 1xjq s ASP 380 Cb 0.00 -2.25 -0.05 0.00 -0.00 0.00 0.00 42.92 40.63 1xjq s ASP 380 CO 0.00 -0.19 0.23 -0.22 -0.00 0.00 0.00 175.17 174.99 1xjq s LEU 381 N 1.92 4.14 -0.26 1.23 2.96 -0.12 -0.48 118.68 128.07 1xjq s LEU 381 Ca 0.19 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1xjq s LEU 381 Cb -0.15 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.32 1xjq s LEU 381 CO 0.09 0.04 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.54 1xjq s GLN 382 N 1.04 2.87 -0.01 1.98 0.74 0.73 -4.80 119.66 122.22 1xjq s GLN 382 Ca 0.11 -0.96 -0.14 0.00 0.05 0.00 0.00 55.36 54.42 1xjq s GLN 382 Cb -0.14 -3.05 -0.06 0.00 1.10 0.00 0.00 33.01 30.86 1xjq s GLN 382 CO 0.05 -0.41 0.40 0.08 -0.55 0.00 0.00 175.29 174.86 1xjq s VAL 383 N 1.35 5.05 0.00 1.34 1.01 -0.38 -0.11 120.40 128.66 1xjq s VAL 383 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1xjq s VAL 383 Cb -0.17 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1xjq s VAL 383 CO -0.03 0.57 0.00 0.18 0.00 0.00 0.00 175.10 175.82 1xjq n LEU 384 N 1.88 0.00 -4.75 3.92 4.77 -0.50 -1.03 117.00 121.28 1xjq n LEU 384 Ca -0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 1xjq n LEU 384 Cb 0.52 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1xjq n LEU 384 CO 0.37 0.00 0.85 -1.81 -1.33 0.00 0.00 177.39 175.47 1xjq s ASP 385 N -0.83 5.07 0.28 -1.43 1.11 -1.26 -4.64 116.67 114.96 1xjq s ASP 385 Ca 0.00 2.43 -0.29 0.00 0.18 0.00 0.00 52.55 54.86 1xjq s ASP 385 Cb 0.00 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.29 1xjq s ASP 385 CO 0.00 -1.68 1.36 -0.60 1.18 0.00 0.00 175.17 175.43 1xjq s ARG 386 N -3.35 4.33 -0.21 8.23 3.52 -1.26 -4.95 118.95 125.25 1xjq s ARG 386 Ca 0.78 2.22 -0.29 0.00 -0.13 0.00 0.00 55.73 58.31 1xjq s ARG 386 Cb -0.32 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1xjq s ARG 386 CO 0.34 -0.28 1.11 0.08 -0.81 0.00 0.00 175.30 175.74 1xjq s VAL 387 N -0.51 4.55 -0.05 7.11 1.01 -1.26 -5.00 120.40 126.25 1xjq s VAL 387 Ca 0.54 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 64.36 1xjq s VAL 387 Cb -0.40 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 31.78 1xjq s VAL 387 CO 0.47 -0.17 0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1xjq s TYR 388 N 3.30 -0.14 -1.06 5.22 1.51 -1.26 -5.07 117.35 119.86 1xjq s TYR 388 Ca 0.47 0.36 0.13 0.00 -1.01 0.00 0.00 57.07 57.03 1xjq s TYR 388 Cb -0.17 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1xjq s TYR 388 CO 0.09 -0.09 0.70 0.91 -1.11 0.00 0.00 175.55 176.05 1xjq n TRP 389 N 3.33 0.00 -3.52 2.71 7.02 -1.26 -5.00 117.44 120.72 1xjq n TRP 389 Ca -0.16 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.10 1xjq n TRP 389 Cb 0.57 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.54 1xjq n TRP 389 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xjq n ASN 390 N -0.49 -5.11 0.00 -0.99 3.02 -1.26 -4.80 115.26 105.63 1xjq n ASN 390 Ca 0.05 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1xjq n ASN 390 Cb 0.26 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.49 1xjq n ASN 390 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1xjq n ASP 391 N -2.95 0.37 0.00 6.41 3.85 -1.26 -4.99 116.55 117.99 1xjq n ASP 391 Ca -0.07 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.19 1xjq n ASP 391 Cb 0.59 0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.47 1xjq n ASP 391 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xjq n GLY 392 N 0.11 0.55 0.00 6.12 0.00 -1.26 -4.92 105.19 105.79 1xjq n GLY 392 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xjq n GLY 392 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjq n LEU 393 N 0.00 0.66 0.10 0.99 4.77 -1.26 -4.74 117.00 117.52 1xjq n LEU 393 Ca 0.00 -0.73 0.04 0.00 -0.03 0.00 0.00 56.01 55.29 1xjq n LEU 393 Cb 0.00 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 1xjq n LEU 393 CO 0.00 0.16 0.69 0.47 -1.33 0.00 0.00 177.39 177.38 1xjq n ASP 394 N -0.15 0.22 0.17 -1.43 8.00 -1.26 0.12 116.55 122.22 1xjq n ASP 394 Ca 0.00 0.47 0.12 0.00 0.71 0.00 0.00 54.79 56.09 1xjq n ASP 394 Cb 0.04 -0.44 0.16 0.00 -0.02 0.00 0.00 41.12 40.86 1xjq n ASP 394 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1xjq h GLN 395 N 0.00 0.00 0.00 -1.24 -0.00 -2.02 -3.13 115.11 108.72 1xjq h GLN 395 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xjq h GLN 395 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1xjq h GLN 395 CO 0.00 0.00 -0.92 0.66 -0.00 0.00 0.00 178.83 178.57 1xjq n TYR 396 N -2.84 0.22 -2.73 0.06 4.01 0.12 -4.69 117.16 111.30 1xjq n TYR 396 Ca 0.03 0.06 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 1xjq n TYR 396 Cb 0.52 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1xjq n TYR 396 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1xjq n ARG 397 N -1.86 3.56 -2.92 -0.72 1.74 -1.18 -1.44 116.66 113.84 1xjq n ARG 397 Ca 0.03 -3.81 -0.40 0.00 -0.77 0.00 0.00 57.85 52.89 1xjq n ARG 397 Cb 0.41 -2.92 -0.05 0.00 -1.02 0.00 0.00 32.46 28.88 1xjq n ARG 397 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xjq s LEU 398 N 0.37 4.51 0.82 0.55 1.02 -1.26 -5.01 118.68 119.67 1xjq s LEU 398 Ca 0.40 1.60 -0.11 0.00 0.02 0.00 0.00 54.13 56.04 1xjq s LEU 398 Cb 0.02 -3.34 0.08 0.00 0.02 0.00 0.00 46.19 42.98 1xjq s LEU 398 CO 0.01 0.06 1.09 0.42 0.02 0.00 0.00 176.35 177.95 1xjq s THR 399 N -0.39 3.08 0.45 5.49 -4.23 -1.26 -4.81 115.64 113.97 1xjq s THR 399 Ca 0.40 0.35 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 1xjq s THR 399 Cb -0.22 -2.83 0.35 0.00 1.34 0.00 0.00 72.50 71.14 1xjq s THR 399 CO 0.26 -0.46 1.96 -0.65 -0.54 0.00 0.00 174.62 175.19 1xjq h PRO 400 N -1.29 0.32 0.14 3.99 0.11 -1.94 -0.60 132.00 132.72 1xjq h PRO 400 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1xjq h PRO 400 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xjq h PRO 400 CO 0.52 0.21 -0.07 1.15 -0.21 0.00 0.00 178.00 179.61 1xjq h THR 401 N 0.33 1.01 -0.74 -1.15 2.02 -1.92 -1.44 112.91 111.01 1xjq h THR 401 Ca 0.31 -0.64 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1xjq h THR 401 Cb 0.76 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1xjq h THR 401 CO -0.08 0.15 0.49 -0.33 0.37 0.00 0.00 175.52 176.12 1xjq h GLU 402 N -0.49 0.69 -0.10 6.66 5.08 -1.72 0.17 114.58 124.88 1xjq h GLU 402 Ca -0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1xjq h GLU 402 Cb 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xjq h GLU 402 CO 0.03 0.46 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.16 1xjq h LEU 403 N 0.71 0.40 -0.73 1.33 3.38 -0.91 -0.13 115.31 119.37 1xjq h LEU 403 Ca 0.33 -0.60 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xjq h LEU 403 Cb 0.36 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1xjq h LEU 403 CO -0.12 0.93 0.33 0.11 0.09 0.00 0.00 178.44 179.77 1xjq h LYS 404 N -0.10 0.50 0.03 1.13 1.57 -0.63 0.15 116.57 119.22 1xjq h LYS 404 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xjq h LYS 404 Cb 0.88 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1xjq h LYS 404 CO 0.06 0.33 -0.02 0.37 -0.57 0.00 0.00 179.45 179.63 1xjq h GLN 405 N 0.52 -0.04 -1.00 3.15 5.75 -0.24 -0.61 115.11 122.64 1xjq h GLN 405 Ca 0.38 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 59.08 1xjq h GLN 405 Cb 0.50 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.95 1xjq h GLN 405 CO -0.34 0.07 0.60 -0.22 -2.65 0.00 0.00 178.83 176.29 1xjq h LYS 406 N -0.14 0.72 -0.09 1.69 1.63 -0.79 0.04 116.57 119.63 1xjq h LYS 406 Ca -0.00 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.58 1xjq h LYS 406 Cb 0.13 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1xjq h LYS 406 CO 0.01 0.47 -0.69 0.74 -3.45 0.00 0.00 179.45 176.53 1xjq h PHE 407 N 0.74 0.50 -0.07 1.91 0.04 -0.03 -2.19 116.94 117.85 1xjq h PHE 407 Ca 0.58 -0.21 -0.10 0.00 2.80 0.00 0.00 57.97 61.04 1xjq h PHE 407 Cb 0.92 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1xjq h PHE 407 CO -0.01 0.95 -0.35 -0.22 -0.60 0.00 0.00 178.31 178.08 1xjq h LYS 408 N 0.27 0.35 -0.92 1.51 3.64 -0.49 -1.70 116.57 119.23 1xjq h LYS 408 Ca -0.02 -0.29 0.23 0.00 -1.27 0.00 0.00 60.65 59.30 1xjq h LYS 408 Cb 1.25 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1xjq h LYS 408 CO 0.12 0.93 0.62 -0.44 -2.27 0.00 0.00 179.45 178.41 1xjq h ASP 409 N -0.14 0.29 -0.00 4.20 3.45 -0.96 1.43 116.42 124.68 1xjq h ASP 409 Ca -0.02 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1xjq h ASP 409 Cb 1.00 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1xjq h ASP 409 CO 0.07 0.10 -0.01 0.23 -1.57 0.00 0.00 179.24 178.07 1xjq n MET 410 N -4.45 1.51 -3.96 3.56 2.81 -0.83 -4.95 117.12 110.80 1xjq n MET 410 Ca 0.20 -0.75 -0.29 0.00 -1.81 0.00 0.00 57.70 55.04 1xjq n MET 410 Cb 0.80 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.83 1xjq n MET 410 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xjq n ASN 411 N -0.09 -2.97 -4.78 7.83 4.05 0.49 -4.94 115.26 114.86 1xjq n ASN 411 Ca 0.20 -0.88 -0.36 0.00 0.45 0.00 0.00 54.58 53.99 1xjq n ASN 411 Cb 0.30 -3.49 -0.01 0.00 1.23 0.00 0.00 39.78 37.81 1xjq n ASN 411 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xjq s ALA 412 N -3.49 2.83 -1.11 5.20 0.00 -0.70 -4.83 121.76 119.67 1xjq s ALA 412 Ca 0.44 0.81 0.11 0.00 0.00 0.00 0.00 51.96 53.32 1xjq s ALA 412 Cb -0.23 -3.34 0.22 0.00 0.00 0.00 0.00 23.12 19.77 1xjq s ALA 412 CO 0.86 -0.61 1.09 -0.40 0.00 0.00 0.00 175.76 176.70 1xjq n ASP 413 N -0.92 2.52 -3.62 0.00 3.85 -1.13 -4.90 116.55 112.35 1xjq n ASP 413 Ca 0.09 -1.78 -0.11 0.00 -0.71 0.00 0.00 54.79 52.28 1xjq n ASP 413 Cb 0.50 -0.14 -0.07 0.00 -1.35 0.00 0.00 41.12 40.07 1xjq n ASP 413 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xjq s ALA 414 N -0.97 -1.92 -0.13 2.12 0.00 -1.25 -4.95 121.76 114.66 1xjq s ALA 414 Ca 0.19 1.84 0.01 0.00 0.00 0.00 0.00 51.96 54.00 1xjq s ALA 414 Cb 0.11 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1xjq s ALA 414 CO 0.15 -0.27 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 1xjq s VAL 415 N -0.00 1.65 -0.08 0.00 1.01 -1.26 -0.85 120.40 120.87 1xjq s VAL 415 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1xjq s VAL 415 Cb -0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1xjq s VAL 415 CO -0.03 0.47 0.06 -0.94 0.00 0.00 0.00 175.10 174.66 1xjq s SER 416 N 1.19 5.66 0.02 3.32 1.04 0.21 0.01 113.70 125.16 1xjq s SER 416 Ca -0.01 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1xjq s SER 416 Cb -0.14 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 1xjq s SER 416 CO -0.06 0.37 -0.05 0.00 0.98 0.00 0.00 173.24 174.48 1xjq s ALA 417 N -0.99 3.09 -0.33 5.32 0.00 -0.03 0.43 121.76 129.26 1xjq s ALA 417 Ca 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1xjq s ALA 417 Cb -0.12 -1.15 0.10 0.00 0.00 0.00 0.00 23.12 21.96 1xjq s ALA 417 CO 0.05 0.63 0.11 0.12 0.00 0.00 0.00 175.76 176.67 1xjq s PHE 418 N -1.08 2.07 0.48 0.00 5.36 -0.02 -2.38 117.98 122.42 1xjq s PHE 418 Ca 0.19 -2.02 -0.22 0.00 -0.96 0.00 0.00 56.93 53.93 1xjq s PHE 418 Cb -0.11 -1.93 -0.07 0.00 -0.34 0.00 0.00 43.02 40.57 1xjq s PHE 418 CO 0.10 -0.88 1.13 -1.14 -1.46 0.00 0.00 175.22 172.97 1xjq s GLN 419 N 1.37 3.68 0.03 10.12 2.00 -1.26 -1.36 119.66 134.23 1xjq s GLN 419 Ca 0.11 1.66 -0.27 0.00 -2.00 0.00 0.00 55.36 54.85 1xjq s GLN 419 Cb -0.18 -2.27 0.09 0.00 0.80 0.00 0.00 33.01 31.45 1xjq s GLN 419 CO -0.20 -0.59 0.81 -0.48 -0.50 0.00 0.00 175.29 174.33 1xjq s LEU 420 N -3.27 -0.44 0.00 3.68 0.05 -1.24 -4.95 118.68 112.51 1xjq s LEU 420 Ca 0.66 0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.91 1xjq s LEU 420 Cb -0.25 2.20 0.00 0.00 -2.05 0.00 0.00 46.19 46.09 1xjq s LEU 420 CO 0.30 -0.70 0.16 -2.11 -0.55 0.00 0.00 176.35 173.46 1xjq n ARG 421 N -0.15 -0.28 -4.38 1.48 1.85 -1.26 -1.26 116.66 112.66 1xjq n ARG 421 Ca -0.12 -0.16 -0.24 0.00 -1.00 0.00 0.00 57.85 56.33 1xjq n ARG 421 Cb 0.62 -0.65 -0.09 0.00 -1.05 0.00 0.00 32.46 31.29 1xjq n ARG 421 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1xjq s ASN 422 N -0.01 4.06 0.51 2.89 0.02 -1.26 -4.78 114.94 116.38 1xjq s ASN 422 Ca 0.00 -0.88 -0.22 0.00 -1.02 0.00 0.00 52.86 50.74 1xjq s ASN 422 Cb 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 41.25 40.65 1xjq s ASN 422 CO 0.00 -0.03 1.18 -2.65 0.02 0.00 0.00 177.10 175.62 1xjq n PRO 423 N -0.79 1.50 -2.94 -0.60 -0.02 -1.26 -4.93 135.00 125.96 1xjq n PRO 423 Ca -0.05 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1xjq n PRO 423 Cb 0.60 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1xjq n PRO 423 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xjq s VAL 424 N -1.32 4.96 0.47 -1.45 1.01 -1.26 -5.04 120.40 117.78 1xjq s VAL 424 Ca 0.68 1.61 0.04 0.00 0.00 0.00 0.00 61.98 64.31 1xjq s VAL 424 Cb -0.46 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 1xjq s VAL 424 CO 0.52 0.16 0.11 -1.38 0.00 0.00 0.00 175.10 174.52 1xjq s HIS 425 N 1.27 2.13 -2.47 5.22 -3.43 -1.26 -4.81 115.29 111.94 1xjq s HIS 425 Ca 0.40 -0.79 0.28 0.00 -0.80 0.00 0.00 55.06 54.15 1xjq s HIS 425 Cb -0.18 -1.78 1.03 0.00 -1.43 0.00 0.00 32.58 30.22 1xjq s HIS 425 CO 0.18 0.15 1.73 0.09 -2.00 0.00 0.00 174.74 174.89 1xjq n ASN 426 N -1.28 1.50 -0.03 7.38 3.02 -0.53 -1.63 115.26 123.69 1xjq n ASN 426 Ca -0.09 -1.48 -0.15 0.00 -0.03 0.00 0.00 54.58 52.83 1xjq n ASN 426 Cb 0.66 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.74 1xjq n ASN 426 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xjq h GLY 427 N 4.86 0.30 0.75 7.41 0.00 -1.89 -1.05 103.07 113.44 1xjq h GLY 427 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1xjq h GLY 427 CO 0.00 0.39 -0.05 0.45 0.00 0.00 0.00 176.54 177.33 1xjq h HIS 428 N -0.28 -0.11 -0.98 5.60 3.86 -1.84 -2.65 115.15 118.74 1xjq h HIS 428 Ca -0.02 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1xjq h HIS 428 Cb 0.95 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 1xjq h HIS 428 CO 0.14 -0.08 0.63 0.00 0.86 0.00 0.00 177.93 179.48 1xjq h ALA 429 N 1.04 1.50 -0.65 2.45 0.00 -1.39 0.20 119.26 122.42 1xjq h ALA 429 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xjq h ALA 429 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xjq h ALA 429 CO -0.12 0.31 0.40 1.25 0.00 0.00 0.00 179.25 181.08 1xjq h LEU 430 N 1.05 0.77 -0.68 0.00 5.85 -0.84 0.67 115.31 122.12 1xjq h LEU 430 Ca 0.45 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 1xjq h LEU 430 Cb 0.34 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1xjq h LEU 430 CO -0.21 0.59 0.40 -0.07 -0.34 0.00 0.00 178.44 178.81 1xjq h LEU 431 N 0.88 0.84 -0.45 2.25 4.07 -0.39 0.17 115.31 122.67 1xjq h LEU 431 Ca 0.23 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1xjq h LEU 431 Cb -0.04 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1xjq h LEU 431 CO -0.05 0.67 0.18 0.24 -1.08 0.00 0.00 178.44 178.40 1xjq h MET 432 N 0.93 0.68 -0.63 1.13 2.86 -0.12 -1.21 114.93 118.56 1xjq h MET 432 Ca 0.24 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1xjq h MET 432 Cb 0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1xjq h MET 432 CO -0.04 0.62 0.14 1.96 1.06 0.00 0.00 176.91 180.65 1xjq h GLN 433 N 0.59 1.02 0.00 1.72 4.20 0.60 -1.22 115.11 122.02 1xjq h GLN 433 Ca 0.15 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 1xjq h GLN 433 Cb 0.20 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xjq h GLN 433 CO -0.01 0.93 -0.47 -0.44 -0.67 0.00 0.00 178.83 178.18 1xjq h ASP 434 N 0.94 0.00 -0.06 1.46 3.45 -0.58 -1.32 116.42 120.31 1xjq h ASP 434 Ca 0.20 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 1xjq h ASP 434 Cb 0.38 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1xjq h ASP 434 CO 0.01 0.47 -0.47 0.74 -1.57 0.00 0.00 179.24 178.41 1xjq h THR 435 N 0.00 1.41 -0.86 0.35 2.02 -1.05 -1.81 112.91 112.97 1xjq h THR 435 Ca -0.00 -1.87 0.12 0.00 0.77 0.00 0.00 66.41 65.42 1xjq h THR 435 Cb 1.04 2.36 -0.06 0.00 -1.74 0.00 0.00 68.15 69.75 1xjq h THR 435 CO 0.06 0.55 0.56 -0.74 0.37 0.00 0.00 175.52 176.32 1xjq h HIS 436 N -0.04 0.85 0.29 3.16 -0.00 -1.06 -1.91 115.15 116.44 1xjq h HIS 436 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1xjq h HIS 436 Cb 1.14 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1xjq h HIS 436 CO 0.13 0.36 -0.14 0.87 -0.00 0.00 0.00 177.93 179.15 1xjq h LYS 437 N 0.76 -0.38 -0.87 5.26 6.56 -1.14 -2.08 116.57 124.68 1xjq h LYS 437 Ca 0.41 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 60.17 1xjq h LYS 437 Cb 0.55 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 32.23 1xjq h LYS 437 CO -0.18 -0.10 0.56 1.96 -2.06 0.00 0.00 179.45 179.64 1xjq h GLN 438 N -0.64 0.63 -0.19 3.15 4.20 -0.83 -1.02 115.11 120.41 1xjq h GLN 438 Ca -0.04 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 1xjq h GLN 438 Cb 0.46 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.10 1xjq h GLN 438 CO 0.07 0.42 -0.62 -0.07 -0.67 0.00 0.00 178.83 177.96 1xjq h LEU 439 N 0.65 0.87 -0.29 1.46 3.38 -1.25 -1.10 115.31 119.04 1xjq h LEU 439 Ca 0.43 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1xjq h LEU 439 Cb 0.73 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1xjq h LEU 439 CO -0.19 1.32 -0.10 -0.07 0.09 0.00 0.00 178.44 179.48 1xjq h LEU 440 N 0.48 -0.36 -1.61 1.67 3.38 -1.11 -0.21 115.31 117.55 1xjq h LEU 440 Ca -0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1xjq h LEU 440 Cb 1.24 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1xjq h LEU 440 CO 0.13 -0.13 -0.21 -0.08 0.09 0.00 0.00 178.44 178.24 1xjq h GLU 441 N -0.05 0.00 0.00 1.13 4.57 -1.15 -1.41 114.58 117.67 1xjq h GLU 441 Ca 0.14 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 1xjq h GLU 441 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1xjq h GLU 441 CO -0.32 0.21 -0.48 0.00 -1.18 0.00 0.00 179.01 177.24 1xjq h ARG 442 N 0.00 0.00 0.00 1.92 3.08 -0.85 -3.47 114.38 115.06 1xjq h ARG 442 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xjq h ARG 442 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1xjq h ARG 442 CO 0.03 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.81 1xjq n GLY 443 N 0.27 1.25 3.73 0.04 0.00 -0.53 -5.09 105.19 104.86 1xjq n GLY 443 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1xjq n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xjq s TYR 444 N -0.77 2.13 0.00 1.61 2.02 -0.12 -4.90 117.35 117.32 1xjq s TYR 444 Ca 0.00 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.25 1xjq s TYR 444 Cb 0.00 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 1xjq s TYR 444 CO 0.00 -2.59 0.00 0.54 -1.57 0.00 0.00 175.55 171.93 1xjq n ARG 445 N -2.30 2.89 -3.14 -0.62 5.12 -1.26 -4.31 116.66 113.03 1xjq n ARG 445 Ca 0.14 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 1xjq n ARG 445 Cb 0.50 -0.68 -0.04 0.00 -1.16 0.00 0.00 32.46 31.07 1xjq n ARG 445 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xjq n ARG 446 N -0.95 1.66 -1.82 5.56 1.74 -1.26 -5.03 116.66 116.57 1xjq n ARG 446 Ca 0.00 -3.86 -0.42 0.00 -0.77 0.00 0.00 57.85 52.81 1xjq n ARG 446 Cb 0.00 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 29.59 1xjq n ARG 446 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xjq s PRO 447 N -2.54 4.16 0.02 5.56 0.04 -1.26 -2.82 135.00 138.16 1xjq s PRO 447 Ca 0.42 2.52 0.07 0.00 0.04 0.00 0.00 61.00 64.04 1xjq s PRO 447 Cb 0.29 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1xjq s PRO 447 CO -0.10 -0.65 -0.19 0.08 0.04 0.00 0.00 177.00 176.18 1xjq s VAL 448 N 0.64 2.67 -0.21 -0.36 1.01 -0.03 -4.92 120.40 119.21 1xjq s VAL 448 Ca 0.68 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1xjq s VAL 448 Cb -0.47 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1xjq s VAL 448 CO 0.38 0.41 0.13 -0.22 0.00 0.00 0.00 175.10 175.80 1xjq s LEU 449 N -1.19 4.09 -0.35 3.92 2.96 -0.41 -0.62 118.68 127.08 1xjq s LEU 449 Ca 0.13 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.07 1xjq s LEU 449 Cb -0.10 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1xjq s LEU 449 CO 0.03 0.14 0.23 -0.22 -1.32 0.00 0.00 176.35 175.21 1xjq s LEU 450 N 0.61 4.57 -0.33 -0.68 2.96 0.17 0.60 118.68 126.58 1xjq s LEU 450 Ca 0.07 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1xjq s LEU 450 Cb -0.12 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1xjq s LEU 450 CO 0.01 -0.29 0.23 -0.22 -1.32 0.00 0.00 176.35 174.76 1xjq s LEU 451 N 1.67 4.41 -0.53 -0.68 2.96 0.07 -0.84 118.68 125.73 1xjq s LEU 451 Ca 0.05 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1xjq s LEU 451 Cb -0.18 -2.13 0.26 0.00 0.50 0.00 0.00 46.19 44.65 1xjq s LEU 451 CO 0.09 -0.20 0.69 1.57 -1.32 0.00 0.00 176.35 177.18 1xjq n HIS 452 N 5.09 2.13 -1.97 5.38 -0.00 -0.47 -2.27 115.22 123.11 1xjq n HIS 452 Ca -0.13 -3.92 -0.39 0.00 0.46 0.00 0.00 57.72 53.74 1xjq n HIS 452 Cb 0.50 -0.47 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 1xjq n HIS 452 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1xjq s PRO 453 N -2.14 3.81 0.27 1.57 0.04 -1.18 -3.66 135.00 133.71 1xjq s PRO 453 Ca 0.39 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.37 1xjq s PRO 453 Cb 0.18 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1xjq s PRO 453 CO -0.06 -0.64 0.91 -1.17 0.04 0.00 0.00 177.00 176.08 1xjq s LEU 454 N -2.63 4.49 0.00 -3.56 0.20 -0.39 -0.96 118.68 115.83 1xjq s LEU 454 Ca 0.59 1.83 0.00 0.00 0.69 0.00 0.00 54.13 57.25 1xjq s LEU 454 Cb -0.39 -3.76 0.00 0.00 -0.43 0.00 0.00 46.19 41.61 1xjq s LEU 454 CO 0.50 0.06 0.64 0.61 -0.29 0.00 0.00 176.35 177.86 1xjq n GLY 455 N 1.03 0.02 0.00 7.98 0.00 -0.20 -4.86 105.19 109.17 1xjq n GLY 455 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xjq n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjq n GLY 456 N -0.20 -0.40 3.55 -0.02 0.00 -1.03 -4.93 105.19 102.17 1xjq n GLY 456 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1xjq n GLY 456 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xjq n TRP 457 N -1.32 0.58 -3.99 1.61 -0.00 -1.26 -4.59 117.44 108.47 1xjq n TRP 457 Ca 0.00 0.60 -0.08 0.00 -0.00 0.00 0.00 57.50 58.02 1xjq n TRP 457 Cb 0.00 -2.14 -0.09 0.00 -0.00 0.00 0.00 31.31 29.07 1xjq n TRP 457 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1xjq s THR 458 N -1.31 0.17 0.71 5.87 -4.23 -1.26 -0.80 115.64 114.79 1xjq s THR 458 Ca 0.63 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1xjq s THR 458 Cb -0.60 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1xjq s THR 458 CO 0.57 -0.76 1.08 -1.59 -0.54 0.00 0.00 174.62 173.37 1xjq s LYS 459 N -3.25 2.79 0.26 3.99 -2.85 -1.26 -4.96 119.74 114.46 1xjq s LYS 459 Ca 0.01 0.68 -0.02 0.00 -1.00 0.00 0.00 55.97 55.64 1xjq s LYS 459 Cb 0.03 -2.00 0.53 0.00 -2.06 0.00 0.00 37.83 34.33 1xjq s LYS 459 CO -0.08 -1.13 1.74 -0.44 0.10 0.00 0.00 175.35 175.54 1xjq h ASP 460 N -0.73 0.40 -0.43 0.03 3.32 -2.01 -1.65 116.42 115.35 1xjq h ASP 460 Ca -0.45 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1xjq h ASP 460 Cb 1.24 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1xjq h ASP 460 CO 0.61 0.14 0.00 -0.90 -1.72 0.00 0.00 179.24 177.37 1xjq n ASP 461 N -4.95 2.53 -4.83 6.45 3.85 -1.26 -4.90 116.55 113.44 1xjq n ASP 461 Ca 0.16 -1.95 -0.31 0.00 -0.71 0.00 0.00 54.79 51.98 1xjq n ASP 461 Cb 0.45 -0.28 0.03 0.00 -1.35 0.00 0.00 41.12 39.97 1xjq n ASP 461 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xjq s ASP 462 N -1.14 5.68 -0.05 -1.12 1.11 -0.62 -5.01 116.67 115.52 1xjq s ASP 462 Ca 0.33 1.58 -0.30 0.00 0.18 0.00 0.00 52.55 54.35 1xjq s ASP 462 Cb 0.18 -2.49 -0.07 0.00 1.07 0.00 0.00 42.92 41.61 1xjq s ASP 462 CO 0.24 -1.24 1.86 -0.69 1.18 0.00 0.00 175.17 176.52 1xjq s VAL 463 N -3.01 3.27 0.58 -1.27 1.01 -1.26 -4.94 120.40 114.78 1xjq s VAL 463 Ca 0.58 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 1xjq s VAL 463 Cb -0.13 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1xjq s VAL 463 CO 0.52 -0.06 0.82 -2.65 0.00 0.00 0.00 175.10 173.74 1xjq n PRO 464 N 7.56 0.80 -0.16 2.72 -0.02 -1.26 -4.67 135.00 139.97 1xjq n PRO 464 Ca 0.20 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.96 1xjq n PRO 464 Cb 0.43 -2.00 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 1xjq n PRO 464 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xjq h LEU 465 N 0.48 -0.44 -0.11 2.45 5.85 -1.92 -1.18 115.31 120.44 1xjq h LEU 465 Ca -0.47 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1xjq h LEU 465 Cb 1.37 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 1xjq h LEU 465 CO 0.50 -0.16 -0.15 -0.03 -0.34 0.00 0.00 178.44 178.27 1xjq h MET 466 N 0.02 -0.18 -0.57 1.25 4.05 -2.00 0.41 114.93 117.91 1xjq h MET 466 Ca 0.25 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.79 1xjq h MET 466 Cb 0.38 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.13 1xjq h MET 466 CO -0.51 -0.12 0.00 -1.49 0.23 0.00 0.00 176.91 175.02 1xjq h TRP 467 N -0.19 -0.03 -0.46 1.39 4.06 -1.88 0.87 115.95 119.71 1xjq h TRP 467 Ca 0.09 0.04 -0.14 0.00 2.06 0.00 0.00 58.89 60.94 1xjq h TRP 467 Cb 0.31 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1xjq h TRP 467 CO -0.25 -0.14 -0.25 0.00 -3.56 0.00 0.00 178.44 174.23 1xjq h ARG 468 N 0.12 0.98 -0.26 0.49 3.08 0.52 0.13 114.38 119.44 1xjq h ARG 468 Ca 0.29 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xjq h ARG 468 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1xjq h ARG 468 CO -0.48 1.11 0.15 0.52 -1.07 0.00 0.00 179.97 180.20 1xjq h MET 469 N 0.84 0.36 -0.73 0.04 2.86 0.24 0.43 114.93 118.96 1xjq h MET 469 Ca 0.10 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1xjq h MET 469 Cb 0.83 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1xjq h MET 469 CO 0.07 0.31 0.48 0.87 1.06 0.00 0.00 176.91 179.70 1xjq h LYS 470 N 0.31 0.77 -0.31 1.72 1.57 -0.63 0.78 116.57 120.78 1xjq h LYS 470 Ca 0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1xjq h LYS 470 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xjq h LYS 470 CO -0.02 0.51 -0.27 0.37 -0.57 0.00 0.00 179.45 179.47 1xjq h GLN 471 N 0.79 0.74 -0.05 3.15 -0.00 0.06 -0.52 115.11 119.29 1xjq h GLN 471 Ca 0.31 -0.37 -0.17 0.00 -0.00 0.00 0.00 58.65 58.42 1xjq h GLN 471 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1xjq h GLN 471 CO -0.10 0.99 -0.71 0.45 0.00 0.00 0.00 178.83 179.47 1xjq h HIS 472 N 0.50 0.33 -0.76 3.99 -0.00 0.12 -2.41 115.15 116.91 1xjq h HIS 472 Ca 0.06 -0.15 0.11 0.00 -0.00 0.00 0.00 60.37 60.38 1xjq h HIS 472 Cb 0.84 -0.05 -0.08 0.00 -0.00 0.00 0.00 27.41 28.12 1xjq h HIS 472 CO 0.07 0.87 0.39 0.00 -0.00 0.00 0.00 177.93 179.26 1xjq h ALA 473 N 1.09 1.08 -0.75 2.45 0.00 0.76 0.25 119.26 124.14 1xjq h ALA 473 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xjq h ALA 473 Cb 1.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1xjq h ALA 473 CO 0.11 -0.04 0.39 0.00 0.00 0.00 0.00 179.25 179.71 1xjq h ALA 474 N 1.47 0.97 0.00 0.00 0.00 -0.86 0.62 119.26 121.45 1xjq h ALA 474 Ca 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xjq h ALA 474 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xjq h ALA 474 CO -0.29 0.50 -0.30 0.28 0.00 0.00 0.00 179.25 179.44 1xjq h VAL 475 N 1.05 1.21 0.16 0.00 2.07 -0.66 -2.24 116.25 117.84 1xjq h VAL 475 Ca 0.26 -1.04 -0.23 0.00 0.82 0.00 0.00 66.70 66.51 1xjq h VAL 475 Cb 0.07 1.56 0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1xjq h VAL 475 CO -0.04 0.30 -1.01 -0.07 0.02 0.00 0.00 177.57 176.76 1xjq h LEU 476 N 0.00 0.61 -1.38 2.57 3.38 -0.64 -1.87 115.31 117.98 1xjq h LEU 476 Ca -0.00 -0.92 0.14 0.00 0.09 0.00 0.00 57.88 57.19 1xjq h LEU 476 Cb 0.54 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1xjq h LEU 476 CO 0.04 1.49 0.55 -0.08 0.09 0.00 0.00 178.44 180.53 1xjq h GLU 477 N -0.17 0.59 0.00 1.13 4.81 -0.40 0.16 114.58 120.70 1xjq h GLU 477 Ca -0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1xjq h GLU 477 Cb 1.79 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.03 1xjq h GLU 477 CO 0.19 0.39 0.00 0.39 -0.73 0.00 0.00 179.01 179.25 1xjq n GLU 478 N -4.53 0.74 -1.70 1.92 -0.58 -0.89 -4.89 120.64 110.70 1xjq n GLU 478 Ca 0.16 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 1xjq n GLU 478 Cb 0.48 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 1xjq n GLU 478 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xjq n GLY 479 N 0.97 0.79 0.20 0.62 0.00 0.54 -4.87 105.19 103.44 1xjq n GLY 479 Ca 0.19 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1xjq n GLY 479 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xjq h VAL 480 N 0.00 1.33 -4.17 1.61 2.07 -1.55 -3.39 116.25 112.15 1xjq h VAL 480 Ca -0.28 -1.77 -0.69 0.00 0.82 0.00 0.00 66.70 64.78 1xjq h VAL 480 Cb 0.98 1.78 -0.26 0.00 -1.52 0.00 0.00 31.29 32.28 1xjq h VAL 480 CO 0.38 0.54 -0.81 -0.76 0.02 0.00 0.00 177.57 176.94 1xjq s LEU 481 N -8.26 2.51 -0.37 2.57 1.43 -1.24 -4.96 118.68 110.37 1xjq s LEU 481 Ca -0.06 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1xjq s LEU 481 Cb 0.12 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1xjq s LEU 481 CO 0.82 0.33 1.31 0.21 0.23 0.00 0.00 176.35 179.25 1xjq s ASN 482 N -0.63 6.54 0.65 2.29 3.84 -1.26 -4.49 114.94 121.88 1xjq s ASN 482 Ca 0.09 0.94 0.42 0.00 0.21 0.00 0.00 52.86 54.53 1xjq s ASN 482 Cb -0.11 -2.54 2.30 0.00 -0.55 0.00 0.00 41.25 40.35 1xjq s ASN 482 CO 0.00 -1.24 2.34 1.55 -2.79 0.00 0.00 177.10 176.97 1xjq h PRO 483 N 9.81 0.00 0.00 0.43 0.13 -1.89 -2.21 132.00 138.27 1xjq h PRO 483 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1xjq h PRO 483 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xjq h PRO 483 CO 1.07 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.66 1xjq h GLU 484 N 0.00 0.00 -0.15 0.86 4.39 -1.98 -3.22 114.58 114.47 1xjq h GLU 484 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1xjq h GLU 484 Cb 0.02 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1xjq h GLU 484 CO 0.00 0.02 -0.30 0.25 -1.16 0.00 0.00 179.01 177.82 1xjq n THR 485 N -3.07 2.35 -3.73 1.13 -2.24 -0.84 -4.99 114.28 102.89 1xjq n THR 485 Ca 0.04 -3.00 -0.15 0.00 -2.27 0.00 0.00 64.05 58.66 1xjq n THR 485 Cb 0.54 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 1xjq n THR 485 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xjq s THR 486 N -3.23 -0.11 -0.12 4.28 2.01 -1.14 -1.29 115.64 116.05 1xjq s THR 486 Ca 0.41 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 1xjq s THR 486 Cb 0.38 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.64 1xjq s THR 486 CO -0.04 0.11 0.11 -0.69 -0.69 0.00 0.00 174.62 173.41 1xjq s VAL 487 N 1.52 5.21 -0.21 3.82 1.01 0.20 -4.86 120.40 127.10 1xjq s VAL 487 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1xjq s VAL 487 Cb -0.12 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1xjq s VAL 487 CO -0.05 0.60 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 1xjq s VAL 488 N -0.86 2.63 0.14 2.92 1.01 -1.26 -0.75 120.40 124.23 1xjq s VAL 488 Ca 0.14 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1xjq s VAL 488 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1xjq s VAL 488 CO 0.03 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.80 1xjq s ALA 489 N 1.36 0.05 -0.19 5.51 0.00 -0.96 -4.86 121.76 122.67 1xjq s ALA 489 Ca 0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1xjq s ALA 489 Cb -0.14 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1xjq s ALA 489 CO -0.08 -0.59 -0.01 0.42 0.00 0.00 0.00 175.76 175.50 1xjq s ILE 490 N -3.95 3.97 -0.25 0.00 1.01 -0.52 -3.11 121.20 118.35 1xjq s ILE 490 Ca 0.15 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.23 1xjq s ILE 490 Cb 0.04 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1xjq s ILE 490 CO -0.03 0.45 0.85 0.12 0.00 0.00 0.00 174.94 176.33 1xjq s PHE 491 N 0.77 3.30 -1.93 3.97 5.36 -0.13 -4.47 117.98 124.85 1xjq s PHE 491 Ca -0.00 1.14 0.26 0.00 -0.96 0.00 0.00 56.93 57.38 1xjq s PHE 491 Cb -0.14 -3.09 1.55 0.00 -0.34 0.00 0.00 43.02 40.99 1xjq s PHE 491 CO 0.02 -0.43 1.93 -0.35 -1.46 0.00 0.00 175.22 174.93 1xjq n PRO 492 N 6.07 0.77 -2.31 10.12 -0.04 -1.26 -1.04 135.00 147.31 1xjq n PRO 492 Ca 0.06 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 1xjq n PRO 492 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1xjq n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjq s SER 493 N -2.07 7.03 0.71 3.54 0.15 -1.26 -3.66 113.70 118.13 1xjq s SER 493 Ca 0.38 2.43 -0.16 0.00 0.70 0.00 0.00 55.95 59.29 1xjq s SER 493 Cb 0.18 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1xjq s SER 493 CO 0.32 -0.35 0.62 -2.65 1.20 0.00 0.00 173.24 172.38 1xjq n PRO 494 N 1.38 0.36 -3.69 5.44 -0.02 -1.26 -2.47 135.00 134.75 1xjq n PRO 494 Ca 0.01 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.29 1xjq n PRO 494 Cb 0.43 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 1xjq n PRO 494 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xjq s MET 495 N -2.83 4.13 -0.03 -0.52 1.75 0.02 -4.85 119.30 116.96 1xjq s MET 495 Ca 0.67 -0.24 0.20 0.00 -1.25 0.00 0.00 55.69 55.08 1xjq s MET 495 Cb -0.36 -3.49 -0.32 0.00 2.84 0.00 0.00 34.83 33.51 1xjq s MET 495 CO 0.56 0.17 0.44 -1.33 -0.65 0.00 0.00 175.02 174.21 1xjq n MET 496 N 3.95 0.62 -3.45 4.11 2.81 -1.26 -4.73 117.12 119.17 1xjq n MET 496 Ca -0.15 -0.18 -0.17 0.00 -1.81 0.00 0.00 57.70 55.38 1xjq n MET 496 Cb 0.52 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.63 1xjq n MET 496 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xjq n TYR 497 N -2.22 -2.18 -1.17 2.03 4.01 -1.26 -4.63 117.16 111.74 1xjq n TYR 497 Ca -0.04 0.92 0.09 0.00 -0.16 0.00 0.00 57.90 58.71 1xjq n TYR 497 Cb 0.55 -4.95 0.17 0.00 -0.31 0.00 0.00 39.34 34.79 1xjq n TYR 497 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xjq n ALA 498 N -4.09 2.65 -0.99 -0.72 0.00 -1.08 -4.77 120.51 111.51 1xjq n ALA 498 Ca -0.28 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1xjq n ALA 498 Cb 0.67 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1xjq n ALA 498 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 499 N -1.28 3.51 0.28 0.00 0.00 -0.19 -2.36 105.19 105.14 1xjq n GLY 499 Ca 0.18 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1xjq n GLY 499 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjq h PRO 500 N 0.00 0.00 0.08 1.61 0.13 -1.90 0.53 132.00 132.45 1xjq h PRO 500 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xjq h PRO 500 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xjq h PRO 500 CO 0.00 0.04 -0.04 1.15 -0.23 0.00 0.00 178.00 178.92 1xjq h THR 501 N 0.00 1.14 -0.46 1.56 2.02 -1.75 -3.32 112.91 112.09 1xjq h THR 501 Ca -0.00 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1xjq h THR 501 Cb 0.11 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1xjq h THR 501 CO 0.01 0.21 0.13 -0.08 0.37 0.00 0.00 175.52 176.15 1xjq h GLU 502 N -0.51 0.68 0.00 6.66 4.81 -1.03 -3.10 114.58 122.09 1xjq h GLU 502 Ca -0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xjq h GLU 502 Cb 0.43 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xjq h GLU 502 CO 0.02 0.60 0.00 -0.24 -0.73 0.00 0.00 179.01 178.66 1xjq h VAL 503 N 0.66 0.00 -0.36 0.32 3.04 -1.07 0.04 116.25 118.88 1xjq h VAL 503 Ca 0.15 -0.59 -0.09 0.00 -1.01 0.00 0.00 66.70 65.16 1xjq h VAL 503 Cb 0.22 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1xjq h VAL 503 CO -0.01 0.00 -0.14 1.56 -1.01 0.00 0.00 177.57 177.97 1xjq h GLN 504 N 0.00 0.73 0.05 4.17 4.20 -1.64 -1.46 115.11 121.16 1xjq h GLN 504 Ca 0.00 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1xjq h GLN 504 Cb 0.63 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1xjq h GLN 504 CO 0.00 0.91 -0.02 2.35 -0.67 0.00 0.00 178.83 181.40 1xjq h TRP 505 N 0.52 -0.06 -0.76 2.96 2.91 -1.13 0.20 115.95 120.60 1xjq h TRP 505 Ca 0.08 -0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.27 1xjq h TRP 505 Cb 0.68 0.02 -0.11 0.00 -0.51 0.00 0.00 29.16 29.24 1xjq h TRP 505 CO 0.06 0.02 0.21 0.45 -1.03 0.00 0.00 178.44 178.14 1xjq h HIS 506 N -0.13 0.32 0.08 2.65 3.86 -1.18 -0.93 115.15 119.83 1xjq h HIS 506 Ca -0.01 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xjq h HIS 506 Cb 0.11 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1xjq h HIS 506 CO -0.06 -0.08 -0.04 0.00 0.86 0.00 0.00 177.93 178.62 1xjq h ARG 508 N -0.76 1.15 -0.94 0.00 -0.00 -0.53 -0.65 114.38 112.65 1xjq h ARG 508 Ca -0.01 -0.09 0.05 0.00 -0.00 0.00 0.00 59.98 59.93 1xjq h ARG 508 Cb 0.59 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.97 30.25 1xjq h ARG 508 CO 0.02 0.79 0.61 0.00 -0.00 0.00 0.00 179.97 181.39 1xjq h ALA 509 N 1.42 1.43 -0.00 0.08 0.00 -1.22 -1.55 119.26 119.42 1xjq h ALA 509 Ca 0.31 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1xjq h ALA 509 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1xjq h ALA 509 CO -0.06 0.46 -0.86 0.00 0.00 0.00 0.00 179.25 178.78 1xjq h ARG 510 N 1.14 0.22 -0.90 0.00 -0.00 -1.26 -2.71 114.38 110.88 1xjq h ARG 510 Ca 0.39 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.98 59.62 1xjq h ARG 510 Cb 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.08 1xjq h ARG 510 CO -0.13 0.95 0.50 1.98 0.00 0.00 0.00 179.97 183.27 1xjq h MET 511 N 0.13 1.24 -0.56 0.04 4.05 -0.75 -1.31 114.93 117.76 1xjq h MET 511 Ca -0.04 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1xjq h MET 511 Cb 1.48 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 32.01 1xjq h MET 511 CO 0.13 0.90 0.34 0.28 0.23 0.00 0.00 176.91 178.79 1xjq h VAL 512 N 1.25 1.16 -0.00 -5.77 2.07 -0.99 -2.03 116.25 111.94 1xjq h VAL 512 Ca 0.32 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xjq h VAL 512 Cb 0.01 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1xjq h VAL 512 CO -0.05 0.16 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1xjq n ALA 513 N -2.45 2.71 0.00 1.67 0.00 -0.81 -4.76 120.51 116.87 1xjq n ALA 513 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xjq n ALA 513 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1xjq n ALA 513 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 514 N 1.22 1.28 3.77 0.00 0.00 -0.76 -4.04 105.19 106.66 1xjq n GLY 514 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1xjq n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq s ALA 515 N -2.00 3.25 -0.46 4.61 0.00 -0.56 -4.67 121.76 121.93 1xjq s ALA 515 Ca 0.00 1.00 0.13 0.00 0.00 0.00 0.00 51.96 53.10 1xjq s ALA 515 Cb 0.00 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 1xjq s ALA 515 CO 0.00 -0.49 0.49 0.09 0.00 0.00 0.00 175.76 175.85 1xjq n ASN 516 N 0.35 0.97 -3.77 0.00 4.13 0.10 -4.58 115.26 112.47 1xjq n ASN 516 Ca 0.03 -0.59 -0.13 0.00 1.68 0.00 0.00 54.58 55.57 1xjq n ASN 516 Cb 0.45 1.17 -0.12 0.00 -1.54 0.00 0.00 39.78 39.75 1xjq n ASN 516 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1xjq s PHE 517 N -2.44 -0.29 -0.23 3.10 0.40 -0.71 -1.57 117.98 116.23 1xjq s PHE 517 Ca 0.02 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1xjq s PHE 517 Cb 0.10 0.08 0.06 0.00 0.51 0.00 0.00 43.02 43.77 1xjq s PHE 517 CO 0.55 -0.17 -0.05 -0.47 0.70 0.00 0.00 175.22 175.78 1xjq s TYR 518 N 0.52 2.32 -0.07 0.36 5.04 -0.12 -0.85 117.35 124.55 1xjq s TYR 518 Ca -0.03 -1.71 -0.29 0.00 -2.44 0.00 0.00 57.07 52.60 1xjq s TYR 518 Cb -0.05 -1.55 -0.02 0.00 0.35 0.00 0.00 41.96 40.69 1xjq s TYR 518 CO -0.03 -0.77 0.96 0.42 -1.34 0.00 0.00 175.55 174.79 1xjq s ILE 519 N 1.42 4.84 -0.02 3.14 1.01 -1.00 -0.27 121.20 130.31 1xjq s ILE 519 Ca -0.06 1.97 0.01 0.00 0.00 0.00 0.00 60.65 62.57 1xjq s ILE 519 Cb -0.19 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.02 1xjq s ILE 519 CO -0.06 0.08 -0.00 0.54 0.00 0.00 0.00 174.94 175.49 1xjq s VAL 520 N 1.59 0.18 0.00 2.92 0.11 -0.39 -4.62 120.40 120.19 1xjq s VAL 520 Ca 0.48 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1xjq s VAL 520 Cb -0.19 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1xjq s VAL 520 CO 0.21 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1xjq n GLY 521 N 3.93 3.39 3.78 6.54 0.00 -1.26 -0.64 105.19 120.93 1xjq n GLY 521 Ca -0.25 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1xjq n GLY 521 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xjq s ARG 522 N 4.81 4.55 -1.41 1.61 1.04 -1.24 -4.36 118.95 123.94 1xjq s ARG 522 Ca 0.00 1.13 -0.03 0.00 -1.04 0.00 0.00 55.73 55.79 1xjq s ARG 522 Cb 0.00 -3.26 0.00 0.00 -2.04 0.00 0.00 34.95 29.65 1xjq s ARG 522 CO 0.00 0.57 0.37 -3.47 -0.04 0.00 0.00 175.30 172.72 1xjq n ASP 523 N 1.64 -0.56 -4.75 -2.89 4.64 0.29 -4.87 116.55 110.05 1xjq n ASP 523 Ca -0.06 -1.08 -0.41 0.00 -1.38 0.00 0.00 54.79 51.86 1xjq n ASP 523 Cb 0.49 -2.71 -0.02 0.00 -1.04 0.00 0.00 41.12 37.84 1xjq n ASP 523 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1xjq s PRO 524 N -6.73 4.29 -0.64 -0.67 0.04 -1.26 -2.13 135.00 127.90 1xjq s PRO 524 Ca 0.06 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1xjq s PRO 524 Cb -0.02 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1xjq s PRO 524 CO 0.91 -0.36 0.00 0.00 0.04 0.00 0.00 177.00 177.59 1xjq n ALA 525 N 1.96 -0.09 -2.05 8.56 0.00 -1.26 -4.17 120.51 123.47 1xjq n ALA 525 Ca 0.05 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1xjq n ALA 525 Cb 0.41 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.82 1xjq n ALA 525 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xjq s GLY 526 N -2.50 1.79 0.20 0.00 0.00 -0.91 -1.02 107.32 104.88 1xjq s GLY 526 Ca 0.00 -1.32 -0.22 0.00 0.00 0.00 0.00 44.72 43.18 1xjq s GLY 526 CO 0.00 -1.07 0.65 -3.16 0.00 0.00 0.00 173.10 169.53 1xjq s MET 527 N -4.68 1.47 0.48 2.90 0.23 -1.26 -4.97 119.30 113.48 1xjq s MET 527 Ca 0.55 -0.67 -0.23 0.00 -1.03 0.00 0.00 55.69 54.31 1xjq s MET 527 Cb -0.10 0.59 -0.07 0.00 -1.53 0.00 0.00 34.83 33.72 1xjq s MET 527 CO 0.38 -0.66 1.33 -2.14 -2.03 0.00 0.00 175.02 171.90 1xjq s PRO 528 N -3.80 3.52 0.19 3.16 0.02 -1.26 -1.33 135.00 135.49 1xjq s PRO 528 Ca 0.05 2.17 -0.32 0.00 0.02 0.00 0.00 61.00 62.92 1xjq s PRO 528 Cb -0.03 -2.46 -0.11 0.00 0.02 0.00 0.00 34.50 31.92 1xjq s PRO 528 CO -0.05 -0.87 1.69 -1.58 -0.33 0.00 0.00 177.00 175.86 1xjq s HIS 529 N -1.32 2.87 0.45 6.54 2.46 0.69 -4.63 115.29 122.34 1xjq s HIS 529 Ca 0.65 0.39 0.16 0.00 0.47 0.00 0.00 55.06 56.73 1xjq s HIS 529 Cb -0.38 -4.08 1.07 0.00 -0.13 0.00 0.00 32.58 29.06 1xjq s HIS 529 CO 0.47 -4.12 2.01 -1.35 -2.47 0.00 0.00 174.74 169.28 1xjq h PRO 530 N 6.99 0.00 0.12 2.88 0.11 -1.89 0.42 132.00 140.63 1xjq h PRO 530 Ca -0.43 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.32 1xjq h PRO 530 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xjq h PRO 530 CO 0.95 0.17 -1.96 0.39 -0.21 0.00 0.00 178.00 177.34 1xjq n GLU 531 N -4.22 0.76 -0.04 1.05 4.71 -1.26 -4.54 120.64 117.10 1xjq n GLU 531 Ca -0.02 0.28 0.02 0.00 -0.01 0.00 0.00 57.16 57.43 1xjq n GLU 531 Cb 0.24 -1.71 -0.16 0.00 -1.01 0.00 0.00 31.44 28.80 1xjq n GLU 531 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1xjq n THR 532 N -3.53 0.59 -0.40 2.62 -2.24 -1.21 -4.96 114.28 105.15 1xjq n THR 532 Ca -0.32 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1xjq n THR 532 Cb 1.03 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1xjq n THR 532 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xjq n GLY 533 N 1.45 2.12 3.90 3.38 0.00 0.13 -4.98 105.19 111.19 1xjq n GLY 533 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1xjq n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjq s LYS 534 N -0.03 2.96 0.10 1.61 1.02 -1.26 -4.57 119.74 119.57 1xjq s LYS 534 Ca 0.00 0.24 -0.35 0.00 0.02 0.00 0.00 55.97 55.88 1xjq s LYS 534 Cb 0.00 -2.16 -0.15 0.00 -0.52 0.00 0.00 37.83 35.00 1xjq s LYS 534 CO 0.00 -0.81 1.53 -0.25 -0.92 0.00 0.00 175.35 174.91 1xjq n ASP 535 N -2.75 2.63 -0.20 2.83 8.00 -1.26 -0.23 116.55 125.57 1xjq n ASP 535 Ca 0.05 1.09 0.07 0.00 0.71 0.00 0.00 54.79 56.71 1xjq n ASP 535 Cb 0.57 -1.34 0.35 0.00 -0.02 0.00 0.00 41.12 40.68 1xjq n ASP 535 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xjq h LEU 536 N 5.81 0.68 -8.55 0.64 3.38 -1.47 -3.42 115.31 112.38 1xjq h LEU 536 Ca -0.46 0.01 -0.55 0.00 0.09 0.00 0.00 57.88 56.96 1xjq h LEU 536 Cb 1.28 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.65 1xjq h LEU 536 CO 0.86 0.43 -0.83 -0.31 0.09 0.00 0.00 178.44 178.68 1xjq s TYR 537 N -5.69 1.72 0.16 1.13 1.51 -1.26 -4.98 117.35 109.94 1xjq s TYR 537 Ca -0.10 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.27 1xjq s TYR 537 Cb 0.20 -1.00 -0.08 0.00 -0.11 0.00 0.00 41.96 40.96 1xjq s TYR 537 CO 0.78 0.11 1.37 -2.00 -1.11 0.00 0.00 175.55 174.70 1xjq s GLU 538 N -1.38 4.34 0.43 -0.62 -6.30 -1.26 -4.94 118.70 108.97 1xjq s GLU 538 Ca 0.06 2.10 0.30 0.00 -2.50 0.00 0.00 54.97 54.92 1xjq s GLU 538 Cb -0.09 -3.21 1.25 0.00 0.00 0.00 0.00 34.13 32.08 1xjq s GLU 538 CO 0.02 -0.37 1.88 -1.00 0.02 0.00 0.00 175.26 175.81 1xjq h PRO 539 N 6.09 0.00 -0.00 4.30 0.13 -1.97 -1.49 132.00 139.06 1xjq h PRO 539 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xjq h PRO 539 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xjq h PRO 539 CO 0.82 0.00 -0.55 -1.13 -0.23 0.00 0.00 178.00 176.91 1xjq n SER 540 N -2.71 0.78 -0.08 1.44 3.41 -1.26 -0.55 113.62 114.65 1xjq n SER 540 Ca 0.01 -0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 1xjq n SER 540 Cb 0.26 0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1xjq n SER 540 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xjq h HIS 541 N 0.37 0.46 -0.77 7.33 3.86 -1.67 -2.35 115.15 122.38 1xjq h HIS 541 Ca 0.00 -0.08 0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1xjq h HIS 541 Cb 0.52 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 1xjq h HIS 541 CO 0.00 0.60 0.43 0.78 0.86 0.00 0.00 177.93 180.61 1xjq h GLY 542 N 0.19 1.16 0.65 2.45 0.00 -1.78 0.16 103.07 105.90 1xjq h GLY 542 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1xjq h GLY 542 CO 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 176.54 176.69 1xjq h ALA 543 N 1.41 0.05 -0.55 3.60 0.00 -1.79 -0.83 119.26 121.16 1xjq h ALA 543 Ca 0.36 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xjq h ALA 543 Cb 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1xjq h ALA 543 CO -0.22 -0.24 0.26 0.87 0.00 0.00 0.00 179.25 179.93 1xjq h LYS 544 N -0.29 0.48 -0.38 0.00 1.57 -1.25 -0.56 116.57 116.14 1xjq h LYS 544 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1xjq h LYS 544 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1xjq h LYS 544 CO 0.00 0.32 0.18 0.28 -0.57 0.00 0.00 179.45 179.66 1xjq h VAL 545 N 0.49 1.17 -0.80 0.50 2.07 -0.61 -2.91 116.25 116.16 1xjq h VAL 545 Ca 0.25 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1xjq h VAL 545 Cb 0.20 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1xjq h VAL 545 CO -0.20 0.18 0.33 -0.07 0.02 0.00 0.00 177.57 177.83 1xjq h LEU 546 N 0.47 1.10 -0.32 2.57 3.38 -0.89 0.72 115.31 122.35 1xjq h LEU 546 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xjq h LEU 546 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xjq h LEU 546 CO -0.02 0.96 0.00 0.35 0.09 0.00 0.00 178.44 179.83 1xjq n THR 547 N -4.29 1.29 -0.27 0.22 -2.24 -0.24 -3.03 114.28 105.73 1xjq n THR 547 Ca 0.07 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1xjq n THR 547 Cb 0.18 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1xjq n THR 547 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1xjq n MET 548 N -1.73 0.60 -1.98 -0.78 0.00 -0.25 -5.03 117.12 107.95 1xjq n MET 548 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 57.70 56.54 1xjq n MET 548 Cb 0.11 -0.87 -0.03 0.00 0.00 0.00 0.00 33.22 32.44 1xjq n MET 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xjq s ALA 549 N -0.33 3.70 0.92 3.17 0.00 0.08 -4.99 121.76 124.31 1xjq s ALA 549 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1xjq s ALA 549 Cb 0.00 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 19.68 1xjq s ALA 549 CO 0.00 -0.76 1.09 -1.25 0.00 0.00 0.00 175.76 174.84 1xjq s PRO 550 N 0.42 1.02 0.00 0.00 0.05 -1.26 -3.85 135.00 131.37 1xjq s PRO 550 Ca 0.65 1.02 0.00 0.00 0.05 0.00 0.00 61.00 62.72 1xjq s PRO 550 Cb -0.43 -1.77 0.00 0.00 0.05 0.00 0.00 34.50 32.36 1xjq s PRO 550 CO 0.37 -2.46 0.00 0.41 0.05 0.00 0.00 177.00 175.37 1xjq n GLY 551 N -0.58 0.76 2.70 0.56 0.00 -1.26 -4.24 105.19 103.14 1xjq n GLY 551 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1xjq n GLY 551 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjq n LEU 552 N 0.00 6.82 0.03 0.99 4.77 -1.25 -4.29 117.00 124.07 1xjq n LEU 552 Ca 0.00 -5.44 -0.07 0.00 -0.03 0.00 0.00 56.01 50.47 1xjq n LEU 552 Cb 0.02 -1.06 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 1xjq n LEU 552 CO 0.00 2.09 -0.08 0.16 -1.33 0.00 0.00 177.39 178.23 1xjq h ILE 553 N 2.39 1.40 -0.60 -0.08 3.07 -1.91 -3.30 117.51 118.47 1xjq h ILE 553 Ca 0.45 -3.15 0.00 0.00 1.55 0.00 0.00 64.86 63.71 1xjq h ILE 553 Cb 0.36 2.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1xjq h ILE 553 CO 1.12 0.80 0.00 0.35 -1.05 0.00 0.00 178.15 179.37 1xjq n THR 554 N -3.24 2.35 -4.10 0.16 -2.24 -1.26 -4.93 114.28 101.01 1xjq n THR 554 Ca -0.06 -1.33 -0.08 0.00 -2.27 0.00 0.00 64.05 60.32 1xjq n THR 554 Cb 0.97 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 1xjq n THR 554 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1xjq s LEU 555 N -2.36 2.26 -0.07 3.22 0.05 -1.25 -4.62 118.68 115.92 1xjq s LEU 555 Ca 0.53 -1.04 0.01 0.00 0.05 0.00 0.00 54.13 53.68 1xjq s LEU 555 Cb 0.38 0.26 -0.03 0.00 -2.05 0.00 0.00 46.19 44.75 1xjq s LEU 555 CO 0.20 -0.64 -0.07 -0.70 -0.55 0.00 0.00 176.35 174.59 1xjq s GLU 556 N -3.95 2.78 -0.15 1.48 2.12 -0.61 -4.97 118.70 115.40 1xjq s GLU 556 Ca 0.11 -0.54 -0.23 0.00 0.36 0.00 0.00 54.97 54.67 1xjq s GLU 556 Cb 0.08 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 1xjq s GLU 556 CO -0.07 0.65 0.72 0.42 -0.54 0.00 0.00 175.26 176.44 1xjq s ILE 557 N -0.78 4.98 -0.49 -3.70 -1.09 -1.26 -0.95 121.20 117.91 1xjq s ILE 557 Ca 0.12 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 59.97 1xjq s ILE 557 Cb -0.11 -4.04 0.13 0.00 -1.58 0.00 0.00 42.46 36.86 1xjq s ILE 557 CO 0.01 0.12 0.26 -0.69 -1.23 0.00 0.00 174.94 173.42 1xjq s VAL 558 N 1.65 2.98 0.06 2.92 1.01 0.62 -4.91 120.40 124.74 1xjq s VAL 558 Ca 0.35 -2.77 -0.10 0.00 0.00 0.00 0.00 61.98 59.46 1xjq s VAL 558 Cb -0.17 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1xjq s VAL 558 CO 0.13 -0.76 0.39 -2.16 0.00 0.00 0.00 175.10 172.71 1xjq s PRO 559 N 0.30 3.76 0.02 2.72 0.04 -1.26 -1.26 135.00 139.33 1xjq s PRO 559 Ca 0.14 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.39 1xjq s PRO 559 Cb -0.22 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1xjq s PRO 559 CO -0.03 0.58 -0.08 -0.06 0.04 0.00 0.00 177.00 177.44 1xjq s PHE 560 N -1.36 0.72 1.04 0.56 0.40 0.19 -4.96 117.98 114.57 1xjq s PHE 560 Ca 0.32 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1xjq s PHE 560 Cb -0.14 -0.44 0.21 0.00 0.51 0.00 0.00 43.02 43.16 1xjq s PHE 560 CO 0.17 -0.03 1.07 1.03 0.70 0.00 0.00 175.22 178.16 1xjq s ARG 561 N -0.91 0.07 0.22 0.44 0.52 -1.26 -3.70 118.95 114.31 1xjq s ARG 561 Ca -0.03 0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 1xjq s ARG 561 Cb -0.06 -1.67 -0.09 0.00 0.52 0.00 0.00 34.95 33.64 1xjq s ARG 561 CO 0.00 -3.04 1.28 0.54 0.02 0.00 0.00 175.30 174.10 1xjq s VAL 562 N -2.74 3.23 0.06 3.52 0.11 -1.26 -4.71 120.40 118.61 1xjq s VAL 562 Ca 0.66 1.04 0.02 0.00 -2.93 0.00 0.00 61.98 60.78 1xjq s VAL 562 Cb -0.21 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1xjq s VAL 562 CO 0.60 0.17 0.07 0.00 -3.33 0.00 0.00 175.10 172.62 1xjq s ALA 563 N -0.12 3.54 0.09 1.54 0.00 -1.26 -1.69 121.76 123.86 1xjq s ALA 563 Ca 0.55 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 1xjq s ALA 563 Cb -0.36 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 21.39 1xjq s ALA 563 CO 0.40 0.73 0.59 0.00 0.00 0.00 0.00 175.76 177.48 1xjq s ALA 564 N -1.33 -1.54 0.05 0.00 0.00 0.38 -4.84 121.76 114.48 1xjq s ALA 564 Ca 0.27 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 1xjq s ALA 564 Cb -0.12 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.49 1xjq s ALA 564 CO 0.20 -0.62 1.93 0.98 0.00 0.00 0.00 175.76 178.25 1xjq n TYR 565 N 0.06 2.53 -3.39 0.00 9.36 -1.06 -1.85 117.16 122.80 1xjq n TYR 565 Ca -0.18 -0.29 -0.41 0.00 3.32 0.00 0.00 57.90 60.34 1xjq n TYR 565 Cb 0.62 -2.78 -0.09 0.00 -0.63 0.00 0.00 39.34 36.46 1xjq n TYR 565 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1xjq s ASN 566 N 3.95 6.17 0.12 2.98 3.84 -0.35 -0.08 114.94 131.58 1xjq s ASN 566 Ca 0.87 -0.39 -0.12 0.00 0.21 0.00 0.00 52.86 53.43 1xjq s ASN 566 Cb -0.47 -2.20 -0.08 0.00 -0.55 0.00 0.00 41.25 37.96 1xjq s ASN 566 CO 0.42 -0.40 1.42 0.11 -2.79 0.00 0.00 177.10 175.86 1xjq h LYS 567 N 8.54 0.86 0.38 0.43 1.57 0.80 -0.57 116.57 128.58 1xjq h LYS 567 Ca -0.29 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 57.99 1xjq h LYS 567 Cb 1.13 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1xjq h LYS 567 CO 0.72 1.14 -0.41 0.87 -0.57 0.00 0.00 179.45 181.19 1xjq h LYS 568 N 0.64 -0.79 -0.12 3.15 1.57 -1.95 -3.21 116.57 115.86 1xjq h LYS 568 Ca 0.03 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xjq h LYS 568 Cb 1.04 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xjq h LYS 568 CO 0.10 -0.53 0.00 1.63 -0.57 0.00 0.00 179.45 180.09 1xjq n LYS 569 N -5.50 1.37 -2.14 3.15 5.02 -1.20 -4.93 118.16 113.93 1xjq n LYS 569 Ca -0.10 -0.57 -0.15 0.00 -2.02 0.00 0.00 58.31 55.47 1xjq n LYS 569 Cb 0.40 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1xjq n LYS 569 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xjq n LYS 570 N -0.13 -1.84 -3.87 1.97 5.02 -0.23 -4.95 118.16 114.12 1xjq n LYS 570 Ca 0.11 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 57.09 1xjq n LYS 570 Cb 0.17 -5.30 -0.07 0.00 -0.02 0.00 0.00 35.03 29.81 1xjq n LYS 570 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1xjq s ARG 571 N -4.53 0.91 0.33 1.97 1.70 -1.17 -4.62 118.95 113.54 1xjq s ARG 571 Ca 0.00 -1.00 -0.29 0.00 -0.47 0.00 0.00 55.73 53.97 1xjq s ARG 571 Cb 0.00 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 1xjq s ARG 571 CO 0.00 -0.30 1.37 -1.64 -1.08 0.00 0.00 175.30 173.65 1xjq s MET 572 N -3.88 4.29 0.30 3.89 -1.94 -1.25 -1.21 119.30 119.49 1xjq s MET 572 Ca 0.08 2.31 -0.10 0.00 -1.71 0.00 0.00 55.69 56.26 1xjq s MET 572 Cb 0.04 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.84 1xjq s MET 572 CO -0.09 -0.30 0.53 0.34 -0.01 0.00 0.00 175.02 175.49 1xjq s ASP 573 N -0.28 0.21 -0.12 3.03 3.68 -0.77 -4.84 116.67 117.58 1xjq s ASP 573 Ca 0.51 -1.11 -0.30 0.00 2.13 0.00 0.00 52.55 53.79 1xjq s ASP 573 Cb -0.42 0.65 -0.01 0.00 -1.45 0.00 0.00 42.92 41.69 1xjq s ASP 573 CO 0.54 -1.27 1.11 -0.31 0.13 0.00 0.00 175.17 175.36 1xjq s TYR 574 N -3.48 3.29 0.41 -5.34 1.51 -1.26 -0.47 117.35 112.00 1xjq s TYR 574 Ca 0.23 1.37 -0.25 0.00 -1.01 0.00 0.00 57.07 57.42 1xjq s TYR 574 Cb -0.01 -3.32 -0.11 0.00 -0.11 0.00 0.00 41.96 38.41 1xjq s TYR 574 CO 0.13 -0.82 1.07 0.98 -1.11 0.00 0.00 175.55 175.80 1xjq n TYR 575 N 5.52 1.41 -3.92 2.71 9.36 -0.68 -4.90 117.16 126.66 1xjq n TYR 575 Ca 0.11 0.56 -0.14 0.00 3.32 0.00 0.00 57.90 61.75 1xjq n TYR 575 Cb 0.47 -2.27 -0.15 0.00 -0.63 0.00 0.00 39.34 36.77 1xjq n TYR 575 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1xjq s ASP 576 N -0.67 0.18 -0.05 2.98 3.68 -1.26 -4.89 116.67 116.64 1xjq s ASP 576 Ca 0.62 -0.02 -0.19 0.00 2.13 0.00 0.00 52.55 55.09 1xjq s ASP 576 Cb -0.56 -0.05 -0.14 0.00 -1.45 0.00 0.00 42.92 40.72 1xjq s ASP 576 CO 0.57 -0.02 0.80 0.28 0.13 0.00 0.00 175.17 176.93 1xjq h SER 577 N 6.42 -0.24 -1.49 -0.34 0.02 -2.00 -3.26 113.55 112.68 1xjq h SER 577 Ca -0.30 -0.27 -0.43 0.00 -0.84 0.00 0.00 61.79 59.95 1xjq h SER 577 Cb 1.18 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1xjq h SER 577 CO 0.50 0.29 1.11 -1.61 -1.14 0.00 0.00 176.83 175.98 1xjq s GLU 578 N -3.35 2.66 0.00 3.45 2.02 -1.26 -1.76 118.70 120.47 1xjq s GLU 578 Ca -0.11 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1xjq s GLU 578 Cb 0.00 -4.67 0.00 0.00 0.10 0.00 0.00 34.13 29.57 1xjq s GLU 578 CO 0.41 -2.93 0.00 0.72 0.02 0.00 0.00 175.26 173.48 1xjq n HIS 579 N 12.90 0.00 -0.33 1.61 8.25 -1.25 -5.07 115.22 131.33 1xjq n HIS 579 Ca 0.27 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.96 1xjq n HIS 579 Cb 0.50 0.00 0.43 0.00 1.12 0.00 0.00 29.99 32.04 1xjq n HIS 579 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xjq h HIS 580 N 0.00 0.42 0.00 4.41 2.76 -1.38 -1.15 115.15 120.22 1xjq h HIS 580 Ca 0.00 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1xjq h HIS 580 Cb 0.00 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1xjq h HIS 580 CO 0.00 -0.41 -0.13 0.93 -1.30 0.00 0.00 177.93 177.02 1xjq h GLU 581 N 0.05 0.00 0.00 5.26 3.07 -1.92 -3.12 114.58 117.92 1xjq h GLU 581 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1xjq h GLU 581 Cb 1.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 1xjq h GLU 581 CO -0.81 0.13 0.00 -0.25 -1.40 0.00 0.00 179.01 176.67 1xjq n ASP 582 N -3.80 0.29 -4.29 1.42 10.43 -0.43 -4.84 116.55 115.33 1xjq n ASP 582 Ca -0.02 0.56 -0.34 0.00 2.57 0.00 0.00 54.79 57.56 1xjq n ASP 582 Cb 0.23 -0.63 -0.14 0.00 1.84 0.00 0.00 41.12 42.42 1xjq n ASP 582 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1xjq s PHE 583 N -3.11 2.89 -0.16 1.24 0.08 -1.18 0.13 117.98 117.87 1xjq s PHE 583 Ca 0.07 -1.00 -0.19 0.00 0.12 0.00 0.00 56.93 55.93 1xjq s PHE 583 Cb 0.11 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1xjq s PHE 583 CO 0.37 -0.52 0.55 -2.00 -0.10 0.00 0.00 175.22 173.52 1xjq s GLU 584 N 1.20 4.26 -0.23 0.44 2.12 0.89 -4.93 118.70 122.44 1xjq s GLU 584 Ca 0.02 0.52 -0.13 0.00 0.36 0.00 0.00 54.97 55.73 1xjq s GLU 584 Cb -0.14 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1xjq s GLU 584 CO -0.03 -0.07 0.29 -0.06 -0.54 0.00 0.00 175.26 174.85 1xjq s PHE 585 N 1.35 3.32 -0.31 5.30 0.08 -1.26 -2.57 117.98 123.89 1xjq s PHE 585 Ca 0.27 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.75 1xjq s PHE 585 Cb -0.16 -2.42 0.09 0.00 -0.57 0.00 0.00 43.02 39.96 1xjq s PHE 585 CO 0.11 -0.02 -0.01 0.42 -0.10 0.00 0.00 175.22 175.62 1xjq s ILE 586 N 1.36 2.19 0.61 0.64 1.01 -1.26 -5.03 121.20 120.72 1xjq s ILE 586 Ca 0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 60.65 58.69 1xjq s ILE 586 Cb -0.14 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1xjq s ILE 586 CO 0.07 -0.39 0.89 -0.94 0.00 0.00 0.00 174.94 174.57 1xjq s SER 587 N 1.00 5.30 0.54 3.58 1.04 -1.26 -4.84 113.70 119.07 1xjq s SER 587 Ca 0.04 0.46 0.33 0.00 0.48 0.00 0.00 55.95 57.25 1xjq s SER 587 Cb -0.19 -1.35 1.78 0.00 0.10 0.00 0.00 66.02 66.36 1xjq s SER 587 CO -0.07 -1.22 1.99 1.23 0.98 0.00 0.00 173.24 176.15 1xjq h GLY 588 N -0.22 0.00 0.71 7.32 0.00 -1.99 -1.56 103.07 107.34 1xjq h GLY 588 Ca -0.45 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.52 1xjq h GLY 588 CO 0.59 0.00 -1.92 -0.84 0.00 0.00 0.00 176.54 174.37 1xjq h THR 589 N 0.00 0.72 -0.48 4.70 2.02 -2.00 -2.88 112.91 114.99 1xjq h THR 589 Ca 0.00 -2.40 -0.03 0.00 0.77 0.00 0.00 66.41 64.75 1xjq h THR 589 Cb 0.19 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1xjq h THR 589 CO 0.00 0.89 0.17 -0.09 0.37 0.00 0.00 175.52 176.85 1xjq h ARG 590 N 0.08 0.74 -0.86 6.66 2.43 -1.78 -2.57 114.38 119.09 1xjq h ARG 590 Ca -0.40 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1xjq h ARG 590 Cb 2.06 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 31.45 1xjq h ARG 590 CO 0.12 0.69 0.57 0.52 -1.51 0.00 0.00 179.97 180.35 1xjq h MET 591 N 0.64 1.12 0.00 0.20 2.86 -1.41 0.13 114.93 118.48 1xjq h MET 591 Ca 0.16 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1xjq h MET 591 Cb 0.24 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1xjq h MET 591 CO -0.01 0.74 -0.23 -0.09 1.06 0.00 0.00 176.91 178.38 1xjq h ARG 592 N 1.16 0.00 0.09 1.72 2.43 -1.29 -1.84 114.38 116.65 1xjq h ARG 592 Ca 0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1xjq h ARG 592 Cb -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1xjq h ARG 592 CO -0.07 0.23 -0.04 0.87 -1.51 0.00 0.00 179.97 179.45 1xjq h LYS 593 N 0.00 -0.12 -0.99 0.20 1.57 -0.79 -2.45 116.57 113.99 1xjq h LYS 593 Ca -0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xjq h LYS 593 Cb 0.42 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 1xjq h LYS 593 CO 0.03 0.35 0.62 -0.07 -0.57 0.00 0.00 179.45 179.82 1xjq h LEU 594 N -0.66 0.96 -1.37 2.94 3.38 -0.73 -0.67 115.31 119.16 1xjq h LEU 594 Ca -0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xjq h LEU 594 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xjq h LEU 594 CO 0.02 0.57 -0.31 0.00 0.09 0.00 0.00 178.44 178.81 1xjq h ALA 595 N 1.48 1.42 0.09 1.53 0.00 -1.30 0.06 119.26 122.55 1xjq h ALA 595 Ca 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xjq h ALA 595 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xjq h ALA 595 CO -0.21 0.39 -0.04 -0.09 0.00 0.00 0.00 179.25 179.29 1xjq h ARG 596 N 0.00 -0.12 0.00 0.00 2.43 -0.68 -3.22 114.38 112.80 1xjq h ARG 596 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xjq h ARG 596 Cb 0.58 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1xjq h ARG 596 CO 0.04 -0.08 0.87 0.93 -1.51 0.00 0.00 179.97 180.23 1xjq h GLU 597 N -0.82 0.00 0.00 0.20 5.08 -1.23 -3.44 114.58 114.38 1xjq h GLU 597 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xjq h GLU 597 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xjq h GLU 597 CO 0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 1xjq n GLY 598 N -1.42 0.74 1.03 -3.84 0.00 -0.27 -5.06 105.19 96.38 1xjq n GLY 598 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1xjq n GLY 598 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xjq n GLN 599 N -2.37 0.22 -4.21 1.61 6.02 -0.15 -4.99 117.38 113.51 1xjq n GLN 599 Ca 0.00 -0.68 -0.17 0.00 -0.01 0.00 0.00 57.00 56.14 1xjq n GLN 599 Cb 0.00 -0.23 -0.13 0.00 1.02 0.00 0.00 30.24 30.91 1xjq n GLN 599 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xjq s LYS 600 N -3.28 0.72 0.87 -1.09 1.02 -1.26 -4.35 119.74 112.36 1xjq s LYS 600 Ca 0.18 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 1xjq s LYS 600 Cb -0.01 -0.65 0.11 0.00 -0.52 0.00 0.00 37.83 36.76 1xjq s LYS 600 CO 0.12 0.15 1.10 -1.25 -0.92 0.00 0.00 175.35 174.55 1xjq s PRO 601 N -1.20 1.45 0.65 -1.68 0.05 -1.26 -4.96 135.00 128.05 1xjq s PRO 601 Ca -0.02 1.10 -0.17 0.00 0.05 0.00 0.00 61.00 61.95 1xjq s PRO 601 Cb -0.08 -1.81 -0.08 0.00 0.05 0.00 0.00 34.50 32.58 1xjq s PRO 601 CO 0.01 -2.19 0.31 -2.30 0.05 0.00 0.00 177.00 172.88 1xjq n PRO 602 N -3.88 0.29 -1.91 0.56 -0.02 -1.26 -4.84 135.00 123.94 1xjq n PRO 602 Ca 0.08 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1xjq n PRO 602 Cb 0.54 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1xjq n PRO 602 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xjq s GLU 603 N -2.15 4.21 0.00 -0.52 2.12 -1.26 -2.38 118.70 118.72 1xjq s GLU 603 Ca 0.63 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.35 1xjq s GLU 603 Cb -0.40 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1xjq s GLU 603 CO 0.60 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1xjq n GLY 604 N 3.48 0.62 0.08 -1.50 0.00 -1.26 -4.63 105.19 101.97 1xjq n GLY 604 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1xjq n GLY 604 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjq h PHE 605 N 0.00 0.00 -3.72 1.61 3.57 -1.80 -3.34 116.94 113.26 1xjq h PHE 605 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1xjq h PHE 605 Cb 0.00 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.58 1xjq h PHE 605 CO 0.00 1.00 -0.41 0.00 -2.23 0.00 0.00 178.31 176.66 1xjq s MET 606 N -2.20 0.74 -0.18 1.11 0.23 -1.26 -1.45 119.30 116.29 1xjq s MET 606 Ca -0.20 -0.80 -0.37 0.00 -1.03 0.00 0.00 55.69 53.28 1xjq s MET 606 Cb -0.00 0.30 -0.14 0.00 -1.53 0.00 0.00 34.83 33.46 1xjq s MET 606 CO 0.58 -0.22 1.79 0.00 -2.03 0.00 0.00 175.02 175.14 1xjq n ALA 607 N 0.37 0.27 -0.22 3.16 0.00 -1.26 -4.69 120.51 118.14 1xjq n ALA 607 Ca -0.17 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1xjq n ALA 607 Cb 0.60 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.73 1xjq n ALA 607 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xjq h PRO 608 N 7.97 -0.14 -0.07 0.00 0.11 -1.99 1.38 132.00 139.27 1xjq h PRO 608 Ca -0.47 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1xjq h PRO 608 Cb 1.30 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1xjq h PRO 608 CO 0.95 -0.09 0.06 0.87 -0.21 0.00 0.00 178.00 179.58 1xjq h LYS 609 N -0.14 0.00 0.06 1.05 1.57 -1.89 -0.67 116.57 116.55 1xjq h LYS 609 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1xjq h LYS 609 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xjq h LYS 609 CO -0.70 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.15 1xjq h ALA 610 N 1.95 -0.08 -0.91 3.86 0.00 0.14 -1.89 119.26 122.33 1xjq h ALA 610 Ca 0.03 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.92 1xjq h ALA 610 Cb 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 1xjq h ALA 610 CO -0.00 -0.27 0.03 2.35 0.00 0.00 0.00 179.25 181.36 1xjq h TRP 611 N -0.64 -0.04 -0.60 0.00 2.91 -0.29 -1.04 115.95 116.26 1xjq h TRP 611 Ca -0.01 0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1xjq h TRP 611 Cb 0.55 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.33 1xjq h TRP 611 CO 0.11 -0.36 0.26 1.15 -1.03 0.00 0.00 178.44 178.57 1xjq h THR 612 N 0.06 1.22 -0.87 2.65 2.02 -0.83 0.29 112.91 117.44 1xjq h THR 612 Ca 0.53 -0.66 0.16 0.00 0.77 0.00 0.00 66.41 67.22 1xjq h THR 612 Cb 1.05 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.90 1xjq h THR 612 CO -0.83 0.26 0.45 0.58 0.37 0.00 0.00 175.52 176.35 1xjq h VAL 613 N 0.82 0.68 -0.34 3.16 2.07 -0.41 0.82 116.25 123.05 1xjq h VAL 613 Ca 0.20 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 1xjq h VAL 613 Cb 0.16 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1xjq h VAL 613 CO -0.02 0.11 -0.43 -0.07 0.02 0.00 0.00 177.57 177.18 1xjq h LEU 614 N 0.60 0.96 -0.71 2.57 3.38 0.50 0.26 115.31 122.87 1xjq h LEU 614 Ca 0.49 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xjq h LEU 614 Cb 0.75 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1xjq h LEU 614 CO -0.39 1.26 0.42 0.71 0.09 0.00 0.00 178.44 180.53 1xjq h THR 615 N 0.69 1.02 -0.77 0.22 1.35 -0.08 1.25 112.91 116.59 1xjq h THR 615 Ca 0.04 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1xjq h THR 615 Cb 1.03 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1xjq h THR 615 CO 0.10 0.14 0.33 -0.33 -0.25 0.00 0.00 175.52 175.51 1xjq h GLU 616 N 0.79 1.13 0.76 4.72 4.39 0.39 -0.69 114.58 126.06 1xjq h GLU 616 Ca 0.31 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1xjq h GLU 616 Cb 0.13 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1xjq h GLU 616 CO -0.16 0.90 -0.45 -0.92 -1.16 0.00 0.00 179.01 177.22 1xjq h TYR 617 N 1.11 -1.21 -0.89 4.33 -0.00 0.25 -2.80 116.97 117.77 1xjq h TYR 617 Ca 0.26 -0.01 0.09 0.00 -0.00 0.00 0.00 58.73 59.07 1xjq h TYR 617 Cb 0.18 0.43 -0.06 0.00 -0.00 0.00 0.00 36.73 37.27 1xjq h TYR 617 CO 0.02 -0.69 0.57 1.88 -0.00 0.00 0.00 178.16 179.94 1xjq h TYR 618 N -1.13 0.96 -0.16 -3.82 0.99 0.17 -1.58 116.97 112.40 1xjq h TYR 618 Ca -0.10 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.71 1xjq h TYR 618 Cb 0.91 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 38.27 1xjq h TYR 618 CO -0.09 0.45 -0.18 0.87 -0.00 0.00 0.00 178.16 179.20 1xjq h LYS 619 N 0.89 -0.21 0.00 4.88 1.57 -1.05 -1.14 116.57 121.51 1xjq h LYS 619 Ca 0.41 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.15 1xjq h LYS 619 Cb 0.38 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xjq h LYS 619 CO -0.17 -0.14 -0.24 0.66 -0.57 0.00 0.00 179.45 178.99 1xjq h SER 620 N -0.22 0.00 -0.43 0.86 4.64 -1.04 -3.08 113.55 114.28 1xjq h SER 620 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1xjq h SER 620 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1xjq h SER 620 CO -0.29 0.24 0.10 0.25 -0.87 0.00 0.00 176.83 176.26 1xjq h LEU 621 N 0.00 0.66 -8.09 5.97 6.46 -0.53 -3.19 115.31 116.58 1xjq h LEU 621 Ca -0.00 -0.24 -0.58 0.00 -0.12 0.00 0.00 57.88 56.94 1xjq h LEU 621 Cb 0.47 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 1xjq h LEU 621 CO 0.03 0.73 1.50 -1.61 -0.62 0.00 0.00 178.44 178.47 1xjq s GLU 622 N -5.27 3.52 0.00 1.25 0.41 -0.66 -5.11 118.70 112.84 1xjq s GLU 622 Ca -0.13 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1xjq s GLU 622 Cb 0.10 -5.35 0.00 0.00 -1.78 0.00 0.00 34.13 27.10 1xjq s GLU 622 CO 0.78 -2.34 0.00 1.63 -0.49 0.00 0.00 175.26 174.84