#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpu s ASN 2 N 0.00 6.30 -0.04 3.17 4.22 -1.26 -4.34 114.94 122.99 1xpu s ASN 2 Ca 0.00 1.68 -0.26 0.00 -2.14 0.00 0.00 52.86 52.14 1xpu s ASN 2 Cb 0.00 -2.52 -0.21 0.00 1.28 0.00 0.00 41.25 39.80 1xpu s ASN 2 CO 0.00 -0.81 1.21 0.25 -2.04 0.00 0.00 177.10 175.71 1xpu h LEU 3 N 0.78 -0.00 -0.85 3.54 5.85 -1.92 -3.21 115.31 119.50 1xpu h LEU 3 Ca -0.47 -0.55 0.22 0.00 0.84 0.00 0.00 57.88 57.92 1xpu h LEU 3 Cb 1.20 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.09 1xpu h LEU 3 CO 0.60 0.55 0.22 0.74 -0.34 0.00 0.00 178.44 180.21 1xpu h THR 4 N -0.55 0.36 -0.04 1.05 2.02 -1.94 -0.33 112.91 113.47 1xpu h THR 4 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1xpu h THR 4 Cb 0.55 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1xpu h THR 4 CO 0.00 0.04 0.03 -0.08 0.37 0.00 0.00 175.52 175.88 1xpu h GLU 5 N 0.23 0.05 -0.65 6.66 4.57 -1.96 -1.98 114.58 121.50 1xpu h GLU 5 Ca 0.52 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.77 1xpu h GLU 5 Cb 1.02 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1xpu h GLU 5 CO -0.63 0.04 0.43 -0.07 -1.18 0.00 0.00 179.01 177.61 1xpu h LEU 6 N 0.04 0.53 -0.11 1.64 3.38 -1.09 -1.03 115.31 118.68 1xpu h LEU 6 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xpu h LEU 6 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xpu h LEU 6 CO -0.00 0.34 0.00 0.11 0.09 0.00 0.00 178.44 178.97 1xpu h LYS 7 N 0.60 0.00 -0.85 1.13 1.57 -1.03 -3.15 116.57 114.84 1xpu h LYS 7 Ca 0.29 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.76 1xpu h LYS 7 Cb 0.36 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 1xpu h LYS 7 CO -0.09 0.00 0.39 0.09 -0.57 0.00 0.00 179.45 179.27 1xpu n ASN 8 N -3.02 4.36 -4.17 0.86 3.02 -0.40 -4.87 115.26 111.04 1xpu n ASN 8 Ca 0.04 -3.27 -0.32 0.00 -0.03 0.00 0.00 54.58 51.00 1xpu n ASN 8 Cb 0.50 -0.77 -0.17 0.00 -0.61 0.00 0.00 39.78 38.74 1xpu n ASN 8 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xpu s THR 9 N -2.93 1.99 0.28 3.41 -4.23 -1.13 -5.02 115.64 108.00 1xpu s THR 9 Ca 0.53 -0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 59.79 1xpu s THR 9 Cb 0.43 -1.75 -0.13 0.00 1.34 0.00 0.00 72.50 72.38 1xpu s THR 9 CO 0.12 0.54 1.28 -2.65 -0.54 0.00 0.00 174.62 173.37 1xpu n PRO 10 N 3.95 1.88 -0.31 3.99 -0.02 -1.26 -4.77 135.00 138.47 1xpu n PRO 10 Ca -0.20 0.66 0.27 0.00 -2.02 0.00 0.00 63.50 62.21 1xpu n PRO 10 Cb 0.52 -2.23 0.59 0.00 -0.02 0.00 0.00 33.50 32.36 1xpu n PRO 10 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xpu h VAL 11 N 2.66 0.49 -0.90 -1.45 2.07 -1.98 0.10 116.25 117.24 1xpu h VAL 11 Ca -0.44 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.20 1xpu h VAL 11 Cb 1.29 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.16 1xpu h VAL 11 CO 0.68 0.05 0.42 0.28 0.02 0.00 0.00 177.57 179.02 1xpu h SER 12 N 0.25 0.40 1.54 0.57 0.02 -1.99 0.22 113.55 114.55 1xpu h SER 12 Ca 0.57 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.58 1xpu h SER 12 Cb 1.73 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 1xpu h SER 12 CO -0.19 0.04 -0.40 -0.33 -1.14 0.00 0.00 176.83 174.80 1xpu h GLU 13 N 0.45 0.00 0.03 3.45 5.08 -1.13 -3.10 114.58 119.35 1xpu h GLU 13 Ca 0.56 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.70 1xpu h GLU 13 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1xpu h GLU 13 CO -0.50 0.40 -0.97 -0.07 -1.00 0.00 0.00 179.01 176.87 1xpu h LEU 14 N 0.00 0.37 -0.45 1.33 3.38 -0.60 0.81 115.31 120.16 1xpu h LEU 14 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xpu h LEU 14 Cb 1.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xpu h LEU 14 CO 0.05 1.14 0.00 -0.38 0.09 0.00 0.00 178.44 179.35 1xpu n ILE 15 N -3.65 0.74 -0.06 1.22 5.41 0.40 -2.06 119.36 121.36 1xpu n ILE 15 Ca -0.05 0.07 -0.05 0.00 1.00 0.00 0.00 62.75 63.71 1xpu n ILE 15 Cb 0.86 -0.96 -0.03 0.00 -0.71 0.00 0.00 39.64 38.80 1xpu n ILE 15 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1xpu h THR 16 N 0.00 0.25 0.00 1.39 2.02 -1.37 -3.16 112.91 112.03 1xpu h THR 16 Ca 0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1xpu h THR 16 Cb 0.48 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1xpu h THR 16 CO 0.00 0.08 -0.02 -0.07 0.37 0.00 0.00 175.52 175.88 1xpu h LEU 17 N -1.00 0.00 0.00 2.58 4.07 -0.91 -2.18 115.31 117.87 1xpu h LEU 17 Ca -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1xpu h LEU 17 Cb 0.41 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1xpu h LEU 17 CO -0.02 0.02 -0.11 1.23 -1.08 0.00 0.00 178.44 178.48 1xpu h GLY 18 N 0.63 0.00 0.38 0.83 0.00 -1.59 -3.36 103.07 99.96 1xpu h GLY 18 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1xpu h GLY 18 CO 0.00 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.18 1xpu h GLU 19 N -1.00 -0.24 -1.71 4.80 5.08 -1.48 -1.90 114.58 118.13 1xpu h GLU 19 Ca -0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xpu h GLU 19 Cb 0.76 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xpu h GLU 19 CO -0.02 -0.16 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 1xpu n ASN 20 N -5.33 3.59 0.00 1.42 3.02 -0.84 -1.40 115.26 115.72 1xpu n ASN 20 Ca -0.03 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1xpu n ASN 20 Cb 0.25 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1xpu n ASN 20 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1xpu n MET 21 N 1.24 0.00 -1.16 3.52 1.56 -0.77 -4.99 117.12 116.53 1xpu n MET 21 Ca 0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 57.70 57.19 1xpu n MET 21 Cb 0.40 -0.32 0.00 0.00 2.15 0.00 0.00 33.22 35.45 1xpu n MET 21 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1xpu n GLY 22 N 0.00 0.89 3.09 -5.12 0.00 -0.49 -5.03 105.19 98.52 1xpu n GLY 22 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1xpu n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpu s LEU 23 N 0.00 4.71 0.62 0.99 1.43 -0.89 -5.02 118.68 120.52 1xpu s LEU 23 Ca 0.00 -1.90 0.06 0.00 -1.03 0.00 0.00 54.13 51.26 1xpu s LEU 23 Cb 0.00 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1xpu s LEU 23 CO 0.00 -0.41 0.85 -1.83 0.23 0.00 0.00 176.35 175.19 1xpu s GLU 24 N 1.07 2.11 -1.62 1.70 1.03 -1.26 -3.35 118.70 118.38 1xpu s GLU 24 Ca 0.06 -1.43 -0.14 0.00 0.03 0.00 0.00 54.97 53.49 1xpu s GLU 24 Cb -0.21 -2.54 0.11 0.00 -0.80 0.00 0.00 34.13 30.70 1xpu s GLU 24 CO -0.05 -1.04 0.73 0.09 -1.33 0.00 0.00 175.26 173.66 1xpu n ASN 25 N -2.44 -2.83 -0.61 0.83 3.02 -1.26 -4.85 115.26 107.12 1xpu n ASN 25 Ca 0.15 -0.98 0.04 0.00 -0.03 0.00 0.00 54.58 53.76 1xpu n ASN 25 Cb 0.61 -2.97 0.07 0.00 -0.61 0.00 0.00 39.78 36.88 1xpu n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xpu n LEU 26 N -4.43 1.19 0.32 3.41 -0.00 -1.26 -4.88 117.00 111.34 1xpu n LEU 26 Ca -0.02 -2.15 -0.14 0.00 -0.00 0.00 0.00 56.01 53.70 1xpu n LEU 26 Cb 0.54 -0.18 -0.07 0.00 -0.00 0.00 0.00 43.42 43.70 1xpu n LEU 26 CO 0.82 0.58 0.41 0.00 -0.00 0.00 0.00 177.39 179.20 1xpu h ALA 27 N 0.34 -0.84 -1.08 1.47 0.00 -1.95 -3.32 119.26 113.88 1xpu h ALA 27 Ca -0.05 -0.20 -0.78 0.00 0.00 0.00 0.00 54.91 53.88 1xpu h ALA 27 Cb 1.34 0.32 -0.21 0.00 0.00 0.00 0.00 17.79 19.25 1xpu h ALA 27 CO 0.02 -0.81 1.61 2.89 0.00 0.00 0.00 179.25 182.95 1xpu n ARG 28 N -5.35 4.84 -4.42 0.00 1.85 -1.26 -4.95 116.66 107.37 1xpu n ARG 28 Ca -0.11 -4.10 -0.25 0.00 -1.00 0.00 0.00 57.85 52.39 1xpu n ARG 28 Cb 0.35 -2.58 -0.09 0.00 -1.05 0.00 0.00 32.46 29.09 1xpu n ARG 28 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1xpu s MET 29 N -2.51 1.95 0.49 2.89 -1.94 -1.25 -5.12 119.30 113.80 1xpu s MET 29 Ca 0.43 -1.78 -0.23 0.00 -1.71 0.00 0.00 55.69 52.41 1xpu s MET 29 Cb 0.16 -1.86 -0.07 0.00 2.01 0.00 0.00 34.83 35.08 1xpu s MET 29 CO -0.07 0.20 1.23 1.03 -0.01 0.00 0.00 175.02 177.40 1xpu s ARG 30 N -3.64 3.55 0.34 2.03 0.52 -1.26 -4.85 118.95 115.64 1xpu s ARG 30 Ca 0.33 1.94 0.07 0.00 -0.52 0.00 0.00 55.73 57.55 1xpu s ARG 30 Cb -0.01 -2.36 0.77 0.00 0.52 0.00 0.00 34.95 33.87 1xpu s ARG 30 CO 0.18 -0.77 1.87 -0.22 0.02 0.00 0.00 175.30 176.38 1xpu h LYS 31 N 1.86 0.73 -0.63 3.54 3.64 -1.99 -0.73 116.57 122.98 1xpu h LYS 31 Ca -0.50 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1xpu h LYS 31 Cb 1.27 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1xpu h LYS 31 CO 0.59 0.48 0.04 1.96 -2.27 0.00 0.00 179.45 180.25 1xpu h GLN 32 N 0.75 1.09 -0.41 1.90 7.50 -1.99 -1.78 115.11 122.16 1xpu h GLN 32 Ca 0.45 -0.33 -0.05 0.00 0.50 0.00 0.00 58.65 59.22 1xpu h GLN 32 Cb 0.65 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.06 1xpu h GLN 32 CO -0.21 1.04 0.05 -0.44 -1.50 0.00 0.00 178.83 177.77 1xpu h ASP 33 N 1.00 0.66 -0.63 1.46 3.32 -1.53 -1.63 116.42 119.06 1xpu h ASP 33 Ca 0.18 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xpu h ASP 33 Cb 0.52 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1xpu h ASP 33 CO 0.02 0.76 0.38 0.40 -1.72 0.00 0.00 179.24 179.09 1xpu h ILE 34 N 0.53 1.19 -0.84 0.35 2.04 -1.27 -2.29 117.51 117.22 1xpu h ILE 34 Ca 0.12 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1xpu h ILE 34 Cb 0.39 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1xpu h ILE 34 CO 0.01 0.19 0.56 0.40 0.00 0.00 0.00 178.15 179.31 1xpu h ILE 35 N 0.86 1.18 -0.04 -0.67 1.08 -1.16 -2.61 117.51 116.14 1xpu h ILE 35 Ca 0.23 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1xpu h ILE 35 Cb -0.01 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1xpu h ILE 35 CO -0.04 0.20 0.02 0.15 -0.69 0.00 0.00 178.15 177.79 1xpu h PHE 36 N 1.10 0.05 -0.59 1.37 3.57 -0.76 -2.09 116.94 119.59 1xpu h PHE 36 Ca 0.32 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1xpu h PHE 36 Cb -0.07 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1xpu h PHE 36 CO -0.00 0.10 0.25 0.00 -2.23 0.00 0.00 178.31 176.43 1xpu h ALA 37 N 0.94 1.33 0.00 2.41 0.00 -1.24 0.14 119.26 122.84 1xpu h ALA 37 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1xpu h ALA 37 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xpu h ALA 37 CO -0.00 0.51 -0.44 0.82 0.00 0.00 0.00 179.25 180.14 1xpu h ILE 38 N 0.84 1.09 0.05 0.00 2.04 -1.40 -1.33 117.51 118.80 1xpu h ILE 38 Ca 0.20 -1.62 -0.24 0.00 1.00 0.00 0.00 64.86 64.20 1xpu h ILE 38 Cb 0.15 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1xpu h ILE 38 CO -0.02 0.43 -1.05 -0.07 0.00 0.00 0.00 178.15 177.44 1xpu h LEU 39 N 0.00 0.48 0.21 1.44 3.38 -0.59 -3.27 115.31 116.97 1xpu h LEU 39 Ca -0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1xpu h LEU 39 Cb 0.90 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xpu h LEU 39 CO 0.06 1.26 -0.10 0.50 0.09 0.00 0.00 178.44 180.25 1xpu h LYS 40 N 0.17 -0.28 -0.01 1.13 3.64 -0.54 -3.32 116.57 117.37 1xpu h LYS 40 Ca -0.10 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xpu h LYS 40 Cb 1.72 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1xpu h LYS 40 CO 0.18 -0.18 0.14 1.96 -2.27 0.00 0.00 179.45 179.27 1xpu h GLN 41 N -0.63 0.00 -1.93 1.90 1.08 -1.45 0.00 115.11 114.09 1xpu h GLN 41 Ca -0.03 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1xpu h GLN 41 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1xpu h GLN 41 CO 0.05 0.00 0.06 1.58 -0.95 0.00 0.00 178.83 179.57 1xpu n HIS 42 N -3.06 0.24 0.44 2.96 -0.00 -1.23 -4.06 115.22 110.50 1xpu n HIS 42 Ca -0.02 -1.15 0.10 0.00 0.46 0.00 0.00 57.72 57.11 1xpu n HIS 42 Cb 0.21 -0.58 0.27 0.00 -0.12 0.00 0.00 29.99 29.76 1xpu n HIS 42 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xpu n ALA 43 N 1.33 2.43 0.08 1.57 0.00 -0.01 -3.84 120.51 122.08 1xpu n ALA 43 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 1xpu n ALA 43 Cb 0.51 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 1xpu n ALA 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xpu h LYS 44 N 3.46 0.25 0.11 0.00 1.57 -1.85 -3.35 116.57 116.75 1xpu h LYS 44 Ca 0.00 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1xpu h LYS 44 Cb 0.77 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xpu h LYS 44 CO 0.00 1.16 -0.05 1.03 -0.57 0.00 0.00 179.45 181.01 1xpu h SER 45 N 0.07 -0.13 0.00 0.86 0.87 -1.92 -3.47 113.55 109.84 1xpu h SER 45 Ca -0.18 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 1xpu h SER 45 Cb 1.99 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1xpu h SER 45 CO 0.18 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 1xpu n GLY 46 N 0.85 1.08 0.09 5.77 0.00 -1.25 -4.26 105.19 107.46 1xpu n GLY 46 Ca -0.07 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.08 1xpu n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xpu n GLU 47 N 0.00 1.11 -3.34 1.61 1.02 -1.26 -4.29 120.64 115.50 1xpu n GLU 47 Ca 0.00 -0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 56.70 1xpu n GLU 47 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1xpu n GLU 47 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xpu n ASP 48 N -0.79 3.67 -3.42 1.62 8.00 -1.26 -4.94 116.55 119.43 1xpu n ASP 48 Ca 0.23 -3.44 -0.14 0.00 0.71 0.00 0.00 54.79 52.15 1xpu n ASP 48 Cb 0.16 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 1xpu n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xpu s ILE 49 N -2.71 -0.46 0.00 0.53 1.01 -1.26 -3.93 121.20 114.37 1xpu s ILE 49 Ca 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1xpu s ILE 49 Cb 0.17 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1xpu s ILE 49 CO -0.03 -0.20 0.00 0.49 0.00 0.00 0.00 174.94 175.20 1xpu n PHE 50 N 5.34 0.00 0.00 3.97 3.72 -1.26 -2.47 117.46 126.76 1xpu n PHE 50 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1xpu n PHE 50 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1xpu n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xpu n GLY 51 N 5.00 2.26 0.00 1.37 0.00 -1.17 -3.56 105.19 109.09 1xpu n GLY 51 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1xpu n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xpu n ASP 52 N 0.00 0.00 0.00 1.61 5.75 -1.26 -3.13 116.55 119.52 1xpu n ASP 52 Ca 0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1xpu n ASP 52 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1xpu n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xpu n GLY 53 N 0.00 -1.04 3.50 6.12 0.00 -1.22 -4.59 105.19 107.96 1xpu n GLY 53 Ca 0.00 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1xpu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xpu s VAL 54 N -3.00 3.62 -0.14 1.61 1.01 0.46 -2.22 120.40 121.74 1xpu s VAL 54 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1xpu s VAL 54 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1xpu s VAL 54 CO 0.00 0.54 1.54 -0.22 0.00 0.00 0.00 175.10 176.96 1xpu s LEU 55 N -0.07 4.15 -0.49 3.92 2.96 0.29 -0.17 118.68 129.26 1xpu s LEU 55 Ca 0.00 1.90 -0.07 0.00 -0.22 0.00 0.00 54.13 55.74 1xpu s LEU 55 Cb -0.13 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.15 1xpu s LEU 55 CO 0.03 -0.99 0.34 -0.70 -1.32 0.00 0.00 176.35 173.70 1xpu s GLU 56 N 4.11 2.40 -0.35 1.98 2.12 0.27 0.64 118.70 129.86 1xpu s GLU 56 Ca 0.68 -1.92 -0.29 0.00 0.36 0.00 0.00 54.97 53.81 1xpu s GLU 56 Cb -0.28 -3.82 -0.00 0.00 0.26 0.00 0.00 34.13 30.29 1xpu s GLU 56 CO 0.26 -1.16 1.54 0.42 -0.54 0.00 0.00 175.26 175.77 1xpu s ILE 57 N 1.05 3.78 0.82 -3.70 1.01 -1.26 -0.40 121.20 122.50 1xpu s ILE 57 Ca 0.09 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 1xpu s ILE 57 Cb -0.24 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.34 1xpu s ILE 57 CO -0.03 -0.58 1.16 -0.22 0.00 0.00 0.00 174.94 175.27 1xpu s LEU 58 N 5.71 2.46 0.23 2.97 0.20 0.69 -4.94 118.68 126.01 1xpu s LEU 58 Ca 0.67 0.89 -0.07 0.00 0.69 0.00 0.00 54.13 56.31 1xpu s LEU 58 Cb -0.18 -3.39 0.41 0.00 -0.43 0.00 0.00 46.19 42.60 1xpu s LEU 58 CO 0.32 -1.97 1.68 1.56 -0.29 0.00 0.00 176.35 177.65 1xpu h GLN 59 N -1.10 0.21 0.00 1.98 1.08 -1.95 -2.93 115.11 112.40 1xpu h GLN 59 Ca -0.47 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 1xpu h GLN 59 Cb 1.32 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1xpu h GLN 59 CO 0.65 0.14 -0.04 -0.44 -0.95 0.00 0.00 178.83 178.18 1xpu h ASP 60 N 0.21 0.00 0.00 1.46 3.32 -2.03 -3.45 116.42 115.94 1xpu h ASP 60 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1xpu h ASP 60 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1xpu h ASP 60 CO -0.52 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 177.65 1xpu n GLY 61 N -0.75 1.08 3.91 2.75 0.00 -1.11 -5.13 105.19 105.94 1xpu n GLY 61 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1xpu n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xpu s PHE 62 N -0.96 3.36 0.38 1.61 -0.00 -1.26 -4.42 117.98 116.69 1xpu s PHE 62 Ca 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 56.93 57.03 1xpu s PHE 62 Cb 0.00 -1.57 -0.04 0.00 -0.00 0.00 0.00 43.02 41.40 1xpu s PHE 62 CO 0.00 0.50 0.17 0.20 -0.00 0.00 0.00 175.22 176.09 1xpu s GLY 63 N -3.49 2.12 -0.06 1.99 0.00 -0.14 -0.22 107.32 107.53 1xpu s GLY 63 Ca 0.33 -1.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.09 1xpu s GLY 63 CO 0.27 -1.82 0.00 -1.36 0.00 0.00 0.00 173.10 170.19 1xpu s PHE 64 N -2.50 0.57 -0.15 1.90 0.08 0.47 -0.04 117.98 118.30 1xpu s PHE 64 Ca 0.40 -0.11 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 1xpu s PHE 64 Cb -0.00 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1xpu s PHE 64 CO 0.23 -0.27 1.20 -0.51 -0.10 0.00 0.00 175.22 175.77 1xpu s LEU 65 N 1.73 4.19 -0.03 -0.37 1.43 0.28 0.95 118.68 126.86 1xpu s LEU 65 Ca 0.01 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1xpu s LEU 65 Cb -0.13 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 1xpu s LEU 65 CO -0.04 -0.70 -0.15 -0.13 0.23 0.00 0.00 176.35 175.57 1xpu s ARG 66 N 3.12 1.40 0.22 1.70 0.52 0.76 -2.02 118.95 124.65 1xpu s ARG 66 Ca 0.53 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 1xpu s ARG 66 Cb -0.21 -1.28 -0.08 0.00 0.52 0.00 0.00 34.95 33.91 1xpu s ARG 66 CO 0.15 0.24 0.60 -1.54 0.02 0.00 0.00 175.30 174.77 1xpu s SER 67 N -0.05 6.75 0.03 0.23 1.04 -1.26 0.17 113.70 120.61 1xpu s SER 67 Ca -0.00 1.08 0.21 0.00 0.48 0.00 0.00 55.95 57.72 1xpu s SER 67 Cb -0.09 -2.29 0.89 0.00 0.10 0.00 0.00 66.02 64.63 1xpu s SER 67 CO 0.01 -0.04 1.67 0.00 0.98 0.00 0.00 173.24 175.86 1xpu n ALA 68 N 0.16 1.95 0.18 5.32 0.00 -1.26 -1.99 120.51 124.86 1xpu n ALA 68 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1xpu n ALA 68 Cb 0.52 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 19.02 1xpu n ALA 68 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xpu h ASP 69 N 0.00 0.05 -0.39 0.00 2.03 -1.93 -1.35 116.42 114.83 1xpu h ASP 69 Ca 0.00 -0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.16 1xpu h ASP 69 Cb 0.38 -0.01 -0.08 0.00 -0.83 0.00 0.00 39.33 38.79 1xpu h ASP 69 CO 0.00 0.33 0.03 -1.54 -1.03 0.00 0.00 179.24 177.04 1xpu n SER 70 N -4.19 3.37 -3.74 4.15 3.41 -1.24 -4.95 113.62 110.42 1xpu n SER 70 Ca -0.02 -3.39 -0.24 0.00 -0.26 0.00 0.00 58.87 54.96 1xpu n SER 70 Cb 0.34 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1xpu n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xpu n SER 71 N -0.78 -2.54 -3.36 4.04 7.64 -0.51 -2.15 113.62 115.96 1xpu n SER 71 Ca 0.30 -0.78 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 1xpu n SER 71 Cb 1.05 -4.11 0.01 0.00 -1.01 0.00 0.00 64.21 60.15 1xpu n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xpu n TYR 72 N -4.43 -1.94 -2.53 1.43 4.01 -0.84 -4.70 117.16 108.16 1xpu n TYR 72 Ca -0.18 0.56 -0.41 0.00 -0.16 0.00 0.00 57.90 57.70 1xpu n TYR 72 Cb 0.63 -3.57 -0.04 0.00 -0.31 0.00 0.00 39.34 36.05 1xpu n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xpu s LEU 73 N -6.69 4.43 0.13 7.72 2.96 -0.91 -4.93 118.68 121.39 1xpu s LEU 73 Ca 0.42 1.97 -0.31 0.00 -0.22 0.00 0.00 54.13 55.99 1xpu s LEU 73 Cb -0.21 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 1xpu s LEU 73 CO 0.52 -0.30 1.64 0.00 -1.32 0.00 0.00 176.35 176.88 1xpu s ALA 74 N 0.43 3.76 0.25 5.97 0.00 -1.26 -4.93 121.76 125.98 1xpu s ALA 74 Ca 0.53 1.34 -0.05 0.00 0.00 0.00 0.00 51.96 53.78 1xpu s ALA 74 Cb -0.28 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.19 1xpu s ALA 74 CO 0.31 -0.95 0.41 0.41 0.00 0.00 0.00 175.76 175.95 1xpu n GLY 75 N 3.91 2.00 0.21 0.00 0.00 -1.26 -5.07 105.19 104.97 1xpu n GLY 75 Ca 0.15 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1xpu n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xpu h PRO 76 N 0.00 0.71 -1.03 1.61 0.11 -1.94 -3.23 132.00 128.24 1xpu h PRO 76 Ca -0.20 -0.40 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 1xpu h PRO 76 Cb 0.82 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1xpu h PRO 76 CO 0.27 1.02 0.02 -0.40 -0.21 0.00 0.00 178.00 178.70 1xpu n ASP 77 N -4.22 3.09 -4.84 -2.05 3.85 -1.26 -4.73 116.55 106.39 1xpu n ASP 77 Ca -0.04 -2.06 -0.35 0.00 -0.71 0.00 0.00 54.79 51.63 1xpu n ASP 77 Cb 0.51 -0.53 -0.06 0.00 -1.35 0.00 0.00 41.12 39.69 1xpu n ASP 77 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xpu s ASP 78 N 0.96 6.89 -0.23 -1.12 1.01 -1.22 -4.99 116.67 117.97 1xpu s ASP 78 Ca 0.02 1.25 -0.14 0.00 0.71 0.00 0.00 52.55 54.38 1xpu s ASP 78 Cb 0.01 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1xpu s ASP 78 CO 0.00 -0.01 0.34 -0.63 0.21 0.00 0.00 175.17 175.08 1xpu s ILE 79 N -1.64 5.23 0.19 0.77 1.01 -0.85 -4.17 121.20 121.73 1xpu s ILE 79 Ca 0.45 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 1xpu s ILE 79 Cb -0.14 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1xpu s ILE 79 CO 0.20 0.24 1.07 -0.47 0.00 0.00 0.00 174.94 175.98 1xpu s TYR 80 N 1.48 3.66 -0.17 3.97 5.04 -1.16 1.00 117.35 131.17 1xpu s TYR 80 Ca 0.15 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 1xpu s TYR 80 Cb -0.15 -3.22 0.01 0.00 0.35 0.00 0.00 41.96 38.95 1xpu s TYR 80 CO 0.08 -0.38 -0.17 0.08 -1.34 0.00 0.00 175.55 173.82 1xpu s VAL 81 N -0.40 2.44 0.37 3.14 1.01 0.94 -1.57 120.40 126.33 1xpu s VAL 81 Ca 0.48 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1xpu s VAL 81 Cb -0.28 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1xpu s VAL 81 CO 0.35 0.52 1.08 -0.94 0.00 0.00 0.00 175.10 176.10 1xpu s SER 82 N 1.05 6.84 0.61 3.32 1.04 -1.26 -0.96 113.70 124.34 1xpu s SER 82 Ca -0.01 2.14 0.30 0.00 0.48 0.00 0.00 55.95 58.86 1xpu s SER 82 Cb -0.14 -2.60 1.68 0.00 0.10 0.00 0.00 66.02 65.06 1xpu s SER 82 CO -0.05 -0.44 2.04 -0.65 0.98 0.00 0.00 173.24 175.13 1xpu h PRO 83 N 2.84 0.00 -0.03 4.02 0.11 -1.95 -1.74 132.00 135.25 1xpu h PRO 83 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1xpu h PRO 83 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1xpu h PRO 83 CO 0.63 0.00 -0.77 0.77 -0.21 0.00 0.00 178.00 178.43 1xpu h SER 84 N 0.00 0.72 -0.83 -2.05 0.02 -1.92 -2.68 113.55 106.82 1xpu h SER 84 Ca 0.09 -0.73 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 1xpu h SER 84 Cb 0.63 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1xpu h SER 84 CO -0.00 1.35 0.43 1.56 -1.14 0.00 0.00 176.83 179.02 1xpu h GLN 85 N 0.16 1.18 -0.72 3.45 4.20 -1.72 -1.69 115.11 119.98 1xpu h GLN 85 Ca -0.09 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.54 1xpu h GLN 85 Cb 1.44 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 1xpu h GLN 85 CO 0.15 0.88 0.47 0.82 -0.67 0.00 0.00 178.83 180.49 1xpu h ILE 86 N 1.18 0.99 -0.10 2.54 2.04 -1.41 -3.13 117.51 119.62 1xpu h ILE 86 Ca 0.29 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.70 1xpu h ILE 86 Cb 0.07 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1xpu h ILE 86 CO -0.04 0.13 -0.74 0.03 0.00 0.00 0.00 178.15 177.52 1xpu h ARG 87 N 0.70 0.68 -0.44 2.37 3.08 -0.96 0.03 114.38 119.83 1xpu h ARG 87 Ca 0.32 -0.60 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1xpu h ARG 87 Cb 0.33 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1xpu h ARG 87 CO -0.11 1.21 0.10 -0.09 -1.07 0.00 0.00 179.97 180.01 1xpu h ARG 88 N 0.35 0.66 -0.01 0.04 2.43 -1.41 -3.19 114.38 113.26 1xpu h ARG 88 Ca -0.07 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1xpu h ARG 88 Cb 1.39 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1xpu h ARG 88 CO 0.15 0.61 -0.08 1.19 -1.51 0.00 0.00 179.97 180.33 1xpu n PHE 89 N -4.31 0.00 -2.90 2.20 3.72 -1.23 -5.04 117.46 109.91 1xpu n PHE 89 Ca 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xpu n PHE 89 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1xpu n PHE 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xpu n ASN 90 N 0.05 -7.26 -4.65 4.37 5.15 -0.50 -4.77 115.26 107.65 1xpu n ASN 90 Ca 0.04 -0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1xpu n ASN 90 Cb 0.18 -4.91 -0.08 0.00 -0.53 0.00 0.00 39.78 34.44 1xpu n ASN 90 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xpu s LEU 91 N -3.74 4.11 -0.12 1.20 1.43 -0.12 -5.04 118.68 116.41 1xpu s LEU 91 Ca 0.01 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1xpu s LEU 91 Cb -0.00 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1xpu s LEU 91 CO 0.68 -0.07 -0.05 -0.13 0.23 0.00 0.00 176.35 177.00 1xpu s ARG 92 N 1.46 3.28 -0.12 1.70 0.52 -1.26 -4.94 118.95 119.60 1xpu s ARG 92 Ca 0.15 -0.54 -0.40 0.00 -0.52 0.00 0.00 55.73 54.43 1xpu s ARG 92 Cb -0.15 -2.77 -0.18 0.00 0.52 0.00 0.00 34.95 32.38 1xpu s ARG 92 CO 0.08 0.42 1.44 -2.37 0.02 0.00 0.00 175.30 174.88 1xpu n THR 93 N 2.99 0.09 0.00 0.02 5.66 -1.26 -2.58 114.28 119.19 1xpu n THR 93 Ca -0.18 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1xpu n THR 93 Cb 0.53 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 1xpu n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xpu n GLY 94 N 3.01 1.52 3.77 1.09 0.00 0.21 -4.81 105.19 109.98 1xpu n GLY 94 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1xpu n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xpu s ASP 95 N -1.66 5.78 -0.42 1.61 1.01 -1.06 -3.66 116.67 118.26 1xpu s ASP 95 Ca 0.00 2.23 -0.16 0.00 0.71 0.00 0.00 52.55 55.33 1xpu s ASP 95 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1xpu s ASP 95 CO 0.00 -1.18 0.35 -0.89 0.21 0.00 0.00 175.17 173.66 1xpu s THR 96 N -1.70 5.21 -0.41 -1.27 2.01 -1.26 -0.55 115.64 117.67 1xpu s THR 96 Ca 0.71 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1xpu s THR 96 Cb -0.26 -3.99 0.09 0.00 0.01 0.00 0.00 72.50 68.35 1xpu s THR 96 CO 0.29 -0.39 0.21 -0.63 -0.69 0.00 0.00 174.62 173.42 1xpu s ILE 97 N 1.80 3.69 0.15 1.82 1.01 -0.94 -0.05 121.20 128.68 1xpu s ILE 97 Ca 0.07 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 58.77 1xpu s ILE 97 Cb -0.19 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 1xpu s ILE 97 CO 0.10 -0.56 0.75 -0.55 0.00 0.00 0.00 174.94 174.69 1xpu s SER 98 N 1.96 7.35 0.00 3.58 0.15 -1.14 -3.38 113.70 122.23 1xpu s SER 98 Ca 0.04 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1xpu s SER 98 Cb -0.23 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1xpu s SER 98 CO -0.01 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1xpu n GLY 99 N 1.63 0.60 3.49 9.45 0.00 -1.18 -0.02 105.19 119.15 1xpu n GLY 99 Ca -0.06 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1xpu n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpu s LYS 100 N -1.10 2.59 0.51 1.61 1.02 -0.76 -3.01 119.74 120.59 1xpu s LYS 100 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1xpu s LYS 100 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1xpu s LYS 100 CO 0.00 0.61 0.23 0.96 -0.92 0.00 0.00 175.35 176.23 1xpu s ILE 101 N -0.70 1.60 0.01 2.17 -4.36 -1.03 -1.54 121.20 117.35 1xpu s ILE 101 Ca 0.11 -1.70 -0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1xpu s ILE 101 Cb -0.11 -2.31 -0.00 0.00 1.25 0.00 0.00 42.46 41.29 1xpu s ILE 101 CO 0.01 0.00 0.11 0.00 0.24 0.00 0.00 174.94 175.30 1xpu s ARG 102 N -4.07 0.46 0.79 0.37 1.70 0.10 -4.70 118.95 113.60 1xpu s ARG 102 Ca 0.26 -0.45 -0.11 0.00 -0.47 0.00 0.00 55.73 54.96 1xpu s ARG 102 Cb 0.00 0.19 0.07 0.00 -0.57 0.00 0.00 34.95 34.64 1xpu s ARG 102 CO 0.15 -0.11 1.09 -2.14 -1.08 0.00 0.00 175.30 173.22 1xpu s PRO 103 N -1.44 2.09 -0.40 3.89 0.02 -1.26 -1.31 135.00 136.60 1xpu s PRO 103 Ca -0.15 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 61.75 1xpu s PRO 103 Cb -0.08 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1xpu s PRO 103 CO 0.01 -1.76 1.48 -1.25 -0.33 0.00 0.00 177.00 175.15 1xpu s PRO 104 N -4.89 3.53 0.32 5.54 0.04 -1.26 -4.62 135.00 133.67 1xpu s PRO 104 Ca 0.62 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1xpu s PRO 104 Cb -0.18 -4.06 -0.10 0.00 0.04 0.00 0.00 34.50 30.21 1xpu s PRO 104 CO 0.56 -1.61 1.35 0.15 0.04 0.00 0.00 177.00 177.49 1xpu s LYS 105 N 5.06 4.31 -0.26 4.56 1.02 -1.26 -4.75 119.74 128.42 1xpu s LYS 105 Ca 0.65 2.28 -0.24 0.00 0.02 0.00 0.00 55.97 58.68 1xpu s LYS 105 Cb -0.15 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 1xpu s LYS 105 CO 0.33 -0.27 0.88 0.39 -0.92 0.00 0.00 175.35 175.76 1xpu n GLU 106 N 1.03 0.00 0.00 1.68 1.02 -1.26 -0.82 120.64 122.29 1xpu n GLU 106 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1xpu n GLU 106 Cb 0.41 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1xpu n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xpu n GLY 107 N 2.47 2.62 0.57 0.62 0.00 -1.26 -5.08 105.19 105.12 1xpu n GLY 107 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1xpu n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xpu n GLU 108 N -0.78 -0.03 0.00 1.61 1.02 0.00 -5.06 120.64 117.39 1xpu n GLU 108 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1xpu n GLU 108 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1xpu n GLU 108 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1xpu n ARG 109 N -1.38 2.52 -5.12 3.49 0.63 -1.26 -4.92 116.66 110.62 1xpu n ARG 109 Ca 0.02 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.66 1xpu n ARG 109 Cb 0.09 -0.36 -0.16 0.00 0.45 0.00 0.00 32.46 32.47 1xpu n ARG 109 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xpu s TYR 110 N -0.42 2.12 -0.54 -0.14 2.02 -1.26 -4.91 117.35 114.21 1xpu s TYR 110 Ca 0.00 -0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 1xpu s TYR 110 Cb 0.00 -1.39 -0.10 0.00 -0.40 0.00 0.00 41.96 40.07 1xpu s TYR 110 CO 0.00 -0.13 2.43 1.19 -1.57 0.00 0.00 175.55 177.47 1xpu n PHE 111 N 2.82 1.34 -2.18 2.71 3.72 -1.26 -4.32 117.46 120.29 1xpu n PHE 111 Ca -0.17 0.16 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1xpu n PHE 111 Cb 0.52 -2.59 -0.01 0.00 -0.94 0.00 0.00 39.48 36.46 1xpu n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xpu s ALA 112 N 10.92 2.88 -0.11 4.37 0.00 -0.42 -2.98 121.76 136.42 1xpu s ALA 112 Ca 1.06 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1xpu s ALA 112 Cb -0.44 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1xpu s ALA 112 CO 0.33 -0.57 1.19 -1.17 0.00 0.00 0.00 175.76 175.53 1xpu s LEU 113 N -4.35 4.23 -0.01 0.00 2.96 -0.61 -0.72 118.68 120.18 1xpu s LEU 113 Ca 0.61 1.71 0.12 0.00 -0.22 0.00 0.00 54.13 56.36 1xpu s LEU 113 Cb -0.13 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 1xpu s LEU 113 CO 0.35 -0.64 0.41 -0.11 -1.32 0.00 0.00 176.35 175.04 1xpu n LEU 114 N 5.73 0.33 -3.67 -0.68 7.94 -0.59 -4.90 117.00 121.15 1xpu n LEU 114 Ca 0.12 -0.29 -0.09 0.00 -1.11 0.00 0.00 56.01 54.64 1xpu n LEU 114 Cb 0.46 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.32 1xpu n LEU 114 CO 0.55 0.08 0.13 -0.75 -1.11 0.00 0.00 177.39 176.29 1xpu s LYS 115 N -2.43 0.46 -0.72 1.96 2.20 -0.61 -4.98 119.74 115.62 1xpu s LYS 115 Ca 0.01 0.97 -0.21 0.00 -0.36 0.00 0.00 55.97 56.38 1xpu s LYS 115 Cb 0.09 0.13 0.09 0.00 -1.51 0.00 0.00 37.83 36.63 1xpu s LYS 115 CO 0.50 -0.18 0.97 0.08 -0.36 0.00 0.00 175.35 176.36 1xpu s VAL 116 N 1.76 4.51 -0.13 4.02 1.01 -1.26 -1.83 120.40 128.48 1xpu s VAL 116 Ca -0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1xpu s VAL 116 Cb -0.08 -4.68 -0.12 0.00 0.00 0.00 0.00 36.38 31.50 1xpu s VAL 116 CO -0.15 -1.42 0.29 -1.13 0.00 0.00 0.00 175.10 172.69 1xpu h ASN 117 N 9.31 0.00 -2.66 3.32 -1.24 -1.57 -3.46 115.58 119.28 1xpu h ASN 117 Ca -0.17 -0.42 -0.53 0.00 0.71 0.00 0.00 56.30 55.88 1xpu h ASN 117 Cb 1.06 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.97 1xpu h ASN 117 CO 1.15 0.82 -0.71 -1.61 -1.29 0.00 0.00 177.43 175.79 1xpu s GLU 118 N -1.96 1.57 -0.09 6.67 0.41 0.96 -4.55 118.70 121.72 1xpu s GLU 118 Ca -0.12 -1.76 -0.03 0.00 -0.41 0.00 0.00 54.97 52.65 1xpu s GLU 118 Cb -0.00 -1.38 0.05 0.00 -1.78 0.00 0.00 34.13 31.01 1xpu s GLU 118 CO 0.34 0.16 0.17 0.08 -0.49 0.00 0.00 175.26 175.52 1xpu s VAL 119 N -2.82 -0.27 -1.58 2.63 1.01 0.06 -2.86 120.40 116.56 1xpu s VAL 119 Ca 0.28 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1xpu s VAL 119 Cb 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 36.38 36.17 1xpu s VAL 119 CO 0.12 0.14 0.91 0.59 0.00 0.00 0.00 175.10 176.86 1xpu n ASN 120 N 5.33 -4.18 -3.68 3.32 3.02 0.92 -0.47 115.26 119.53 1xpu n ASN 120 Ca -0.05 -0.85 -0.27 0.00 -0.03 0.00 0.00 54.58 53.38 1xpu n ASN 120 Cb 0.50 -3.54 0.05 0.00 -0.61 0.00 0.00 39.78 36.18 1xpu n ASN 120 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xpu n PHE 121 N -4.58 -2.52 -3.96 3.10 3.72 -1.26 -4.98 117.46 106.99 1xpu n PHE 121 Ca 0.04 0.90 -0.10 0.00 -0.05 0.00 0.00 57.45 58.24 1xpu n PHE 121 Cb 0.52 -4.45 -0.03 0.00 -0.94 0.00 0.00 39.48 34.59 1xpu n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpu s ASP 122 N -3.23 0.18 0.23 4.37 -1.08 0.38 -5.14 116.67 112.37 1xpu s ASP 122 Ca 0.59 -1.09 -0.31 0.00 -0.52 0.00 0.00 52.55 51.23 1xpu s ASP 122 Cb -0.28 0.69 -0.10 0.00 -1.46 0.00 0.00 42.92 41.77 1xpu s ASP 122 CO 0.73 -1.35 1.52 -0.54 0.52 0.00 0.00 175.17 176.05 1xpu s LYS 123 N -3.32 4.22 0.00 4.34 1.02 -1.26 -0.76 119.74 123.97 1xpu s LYS 123 Ca 0.21 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.58 1xpu s LYS 123 Cb -0.02 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1xpu s LYS 123 CO 0.12 -0.53 0.00 -2.30 -0.92 0.00 0.00 175.35 171.72 1xpu n PRO 124 N 2.92 0.00 -3.36 -1.68 -0.02 -1.26 -3.37 135.00 128.23 1xpu n PRO 124 Ca 0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 1xpu n PRO 124 Cb 0.39 -0.98 -0.08 0.00 -0.02 0.00 0.00 33.50 32.81 1xpu n PRO 124 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xpu n GLU 125 N -0.16 2.10 -4.16 -0.52 4.07 -1.26 -4.78 120.64 115.93 1xpu n GLU 125 Ca 0.00 -4.32 -0.10 0.00 -0.06 0.00 0.00 57.16 52.67 1xpu n GLU 125 Cb 0.00 -2.00 -0.10 0.00 -0.06 0.00 0.00 31.44 29.28 1xpu n GLU 125 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1xpu s ASN 126 N -2.18 1.08 0.00 4.31 -0.87 -1.22 -5.21 114.94 110.85 1xpu s ASN 126 Ca 0.39 -0.98 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 1xpu s ASN 126 Cb 0.16 0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.49 1xpu s ASN 126 CO -0.04 -0.46 0.00 0.59 -2.57 0.00 0.00 177.10 174.62 1xpu n ASN 129 N 0.04 0.00 -4.74 -1.22 4.13 -1.26 -5.06 115.26 107.15 1xpu n ASN 129 Ca -0.13 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.84 1xpu n ASN 129 Cb 0.61 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.98 1xpu n ASN 129 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xpu s LYS 130 N 0.00 1.20 -0.06 3.52 1.02 -1.26 -5.03 119.74 119.13 1xpu s LYS 130 Ca 0.00 0.58 -0.18 0.00 0.02 0.00 0.00 55.97 56.39 1xpu s LYS 130 Cb 0.00 -1.82 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1xpu s LYS 130 CO 0.00 -2.22 0.49 0.42 -0.92 0.00 0.00 175.35 173.11 1xpu s ILE 131 N -3.07 5.07 0.43 2.17 1.01 -1.26 -4.84 121.20 120.71 1xpu s ILE 131 Ca 0.63 1.00 0.29 0.00 0.00 0.00 0.00 60.65 62.57 1xpu s ILE 131 Cb -0.17 -3.82 0.47 0.00 0.01 0.00 0.00 42.46 38.96 1xpu s ILE 131 CO 0.56 0.42 1.63 0.25 0.00 0.00 0.00 174.94 177.79 1xpu h LEU 132 N 5.90 0.26 -0.97 2.97 5.85 -1.96 0.19 115.31 127.56 1xpu h LEU 132 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1xpu h LEU 132 Cb 1.19 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1xpu h LEU 132 CO 0.70 -0.18 0.00 0.49 -0.34 0.00 0.00 178.44 179.11 1xpu n PHE 133 N -4.73 0.63 -2.58 1.25 3.72 -1.26 -2.92 117.46 111.58 1xpu n PHE 133 Ca 0.37 0.30 -0.19 0.00 -0.05 0.00 0.00 57.45 57.88 1xpu n PHE 133 Cb 1.39 -0.98 0.01 0.00 -0.94 0.00 0.00 39.48 38.97 1xpu n PHE 133 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xpu n GLU 134 N -2.12 2.34 -4.89 -1.08 0.28 0.68 -5.04 120.64 110.81 1xpu n GLU 134 Ca 0.00 -3.92 -0.29 0.00 -0.16 0.00 0.00 57.16 52.80 1xpu n GLU 134 Cb 0.09 -1.78 -0.17 0.00 1.43 0.00 0.00 31.44 31.02 1xpu n GLU 134 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1xpu s ASN 135 N -3.33 2.48 0.61 -1.84 -0.87 -1.15 -4.85 114.94 105.99 1xpu s ASN 135 Ca 0.38 -0.44 -0.19 0.00 -1.57 0.00 0.00 52.86 51.05 1xpu s ASN 135 Cb 0.43 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.25 40.49 1xpu s ASN 135 CO -0.08 0.10 1.24 -0.76 -2.57 0.00 0.00 177.10 175.02 1xpu s LEU 136 N 0.53 3.63 -0.49 0.60 1.43 -1.26 -4.82 118.68 118.30 1xpu s LEU 136 Ca -0.16 2.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.45 1xpu s LEU 136 Cb -0.17 -4.61 0.15 0.00 0.03 0.00 0.00 46.19 41.60 1xpu s LEU 136 CO 0.06 -1.75 0.31 -0.89 0.23 0.00 0.00 176.35 174.32 1xpu s THR 137 N -1.52 1.45 0.94 5.49 2.01 -1.26 -0.66 115.64 122.10 1xpu s THR 137 Ca 0.79 -2.91 -0.10 0.00 0.31 0.00 0.00 61.69 59.78 1xpu s THR 137 Cb -0.33 -2.00 0.16 0.00 0.01 0.00 0.00 72.50 70.34 1xpu s THR 137 CO 0.35 -0.99 1.13 -2.84 -0.69 0.00 0.00 174.62 171.59 1xpu s PRO 138 N -0.06 0.80 0.00 4.92 0.02 -1.21 -4.85 135.00 134.61 1xpu s PRO 138 Ca 0.22 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1xpu s PRO 138 Cb -0.14 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1xpu s PRO 138 CO -0.07 -2.76 0.27 1.28 -0.33 0.00 0.00 177.00 175.39 1xpu n LEU 139 N -4.31 0.24 0.00 -5.54 4.77 -1.26 -4.26 117.00 106.64 1xpu n LEU 139 Ca 0.11 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xpu n LEU 139 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xpu n LEU 139 CO 0.50 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 1xpu n HIS 140 N 0.00 0.00 0.21 -1.77 1.44 -1.26 -4.70 115.22 109.14 1xpu n HIS 140 Ca 0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 1xpu n HIS 140 Cb 0.06 -0.19 0.10 0.00 0.12 0.00 0.00 29.99 30.08 1xpu n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xpu n ALA 141 N 0.38 1.56 0.97 1.59 0.00 -1.26 -2.80 120.51 120.95 1xpu n ALA 141 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xpu n ALA 141 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1xpu n ALA 141 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xpu n ASN 142 N -1.08 1.25 -3.15 0.00 0.23 -1.26 -3.40 115.26 107.85 1xpu n ASN 142 Ca 0.02 -1.93 0.05 0.00 -0.53 0.00 0.00 54.58 52.19 1xpu n ASN 142 Cb 0.02 -0.48 -0.00 0.00 -2.08 0.00 0.00 39.78 37.23 1xpu n ASN 142 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1xpu s SER 143 N 0.12 -1.11 0.28 0.53 0.15 -1.12 -5.07 113.70 107.48 1xpu s SER 143 Ca 0.00 0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.76 1xpu s SER 143 Cb 0.00 1.73 -0.06 0.00 -1.71 0.00 0.00 66.02 65.97 1xpu s SER 143 CO 0.00 -0.20 0.58 -0.60 1.20 0.00 0.00 173.24 174.22 1xpu s ARG 144 N 2.89 3.74 -0.21 5.44 3.00 -1.26 0.20 118.95 132.73 1xpu s ARG 144 Ca 0.17 0.20 -0.01 0.00 -1.00 0.00 0.00 55.73 55.09 1xpu s ARG 144 Cb -0.07 -2.61 0.06 0.00 0.00 0.00 0.00 34.95 32.33 1xpu s ARG 144 CO -0.24 0.23 -0.02 -0.51 0.00 0.00 0.00 175.30 174.76 1xpu s LEU 145 N -3.24 1.99 -0.00 -0.88 1.43 -1.14 -4.81 118.68 112.03 1xpu s LEU 145 Ca 0.47 -1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 1xpu s LEU 145 Cb -0.11 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.11 1xpu s LEU 145 CO 0.26 -0.26 0.52 -0.60 0.23 0.00 0.00 176.35 176.50 1xpu s ARG 146 N 1.58 4.19 -0.24 1.70 3.52 -1.26 -4.41 118.95 124.02 1xpu s ARG 146 Ca -0.04 0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 56.06 1xpu s ARG 146 Cb -0.18 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1xpu s ARG 146 CO -0.07 0.49 0.16 -1.64 -0.81 0.00 0.00 175.30 173.43 1xpu s MET 147 N -0.53 4.07 -0.53 5.12 -1.94 -1.26 -4.95 119.30 119.27 1xpu s MET 147 Ca 0.28 -0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.00 1xpu s MET 147 Cb -0.18 -3.54 0.50 0.00 2.01 0.00 0.00 34.83 33.62 1xpu s MET 147 CO 0.15 0.05 1.83 0.41 -0.01 0.00 0.00 175.02 177.45 1xpu n GLY 152 N 4.31 5.58 3.79 -0.03 0.00 -1.26 -4.69 105.19 112.89 1xpu n GLY 152 Ca -0.15 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1xpu n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xpu s SER 153 N -2.07 5.47 0.00 1.61 1.04 -1.26 -4.93 113.70 113.57 1xpu s SER 153 Ca 0.59 1.91 0.16 0.00 0.48 0.00 0.00 55.95 59.09 1xpu s SER 153 Cb 0.48 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 64.81 1xpu s SER 153 CO 0.02 -1.38 1.47 0.35 0.98 0.00 0.00 173.24 174.68 1xpu n THR 154 N -2.18 0.68 -0.11 2.02 -2.24 -1.26 -1.05 114.28 110.13 1xpu n THR 154 Ca 0.10 0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1xpu n THR 154 Cb 0.52 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1xpu n THR 154 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xpu h GLU 155 N 0.00 0.89 0.00 -0.78 4.81 -2.05 -3.11 114.58 114.35 1xpu h GLU 155 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1xpu h GLU 155 Cb 0.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xpu h GLU 155 CO 0.00 1.13 0.00 -3.47 -0.73 0.00 0.00 179.01 175.94 1xpu n ASP 156 N -4.09 0.37 -0.12 1.04 4.64 -0.21 -3.09 116.55 115.08 1xpu n ASP 156 Ca -0.03 0.61 0.06 0.00 -1.38 0.00 0.00 54.79 54.05 1xpu n ASP 156 Cb 0.54 -0.68 0.39 0.00 -1.04 0.00 0.00 41.12 40.33 1xpu n ASP 156 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1xpu h LEU 157 N 0.00 0.58 -0.31 -2.67 3.38 -1.55 -1.23 115.31 113.50 1xpu h LEU 157 Ca 0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xpu h LEU 157 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xpu h LEU 157 CO 0.00 0.39 -0.03 0.74 0.09 0.00 0.00 178.44 179.63 1xpu h THR 158 N 0.67 1.27 0.00 0.22 2.02 -1.76 -3.00 112.91 112.33 1xpu h THR 158 Ca 0.26 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1xpu h THR 158 Cb 0.18 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1xpu h THR 158 CO -0.07 0.33 -0.01 0.00 0.37 0.00 0.00 175.52 176.13 1xpu h ALA 159 N 0.82 1.08 0.03 6.16 0.00 -1.44 -3.00 119.26 122.92 1xpu h ALA 159 Ca 0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1xpu h ALA 159 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xpu h ALA 159 CO 0.02 0.02 -0.82 0.00 0.00 0.00 0.00 179.25 178.47 1xpu h ARG 160 N 0.00 0.06 -0.16 0.00 2.47 -1.19 -3.31 114.38 112.25 1xpu h ARG 160 Ca -0.00 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 1xpu h ARG 160 Cb 0.14 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1xpu h ARG 160 CO 0.00 1.05 -0.15 -0.39 0.56 0.00 0.00 179.97 181.05 1xpu h VAL 161 N -0.82 1.19 -0.18 2.04 -1.51 -1.49 -2.37 116.25 113.10 1xpu h VAL 161 Ca -0.20 -0.84 -0.07 0.00 -1.23 0.00 0.00 66.70 64.35 1xpu h VAL 161 Cb 1.31 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1xpu h VAL 161 CO -0.06 0.26 -0.21 0.25 -1.23 0.00 0.00 177.57 176.58 1xpu h LEU 162 N 0.24 0.31 -0.90 4.19 6.46 -1.69 -2.20 115.31 121.72 1xpu h LEU 162 Ca 0.05 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.61 1xpu h LEU 162 Cb 0.41 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1xpu h LEU 162 CO 0.02 0.54 -0.47 0.44 -0.62 0.00 0.00 178.44 178.36 1xpu h ASP 163 N 0.29 0.20 0.52 1.25 3.32 -1.51 0.13 116.42 120.63 1xpu h ASP 163 Ca 0.05 -0.09 -0.29 0.00 0.02 0.00 0.00 57.03 56.72 1xpu h ASP 163 Cb 0.54 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.05 1xpu h ASP 163 CO 0.04 0.65 -1.30 -0.07 -1.72 0.00 0.00 179.24 176.83 1xpu h LEU 164 N 0.16 0.55 0.00 1.55 3.38 -1.47 -3.33 115.31 116.13 1xpu h LEU 164 Ca 0.01 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1xpu h LEU 164 Cb 0.89 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1xpu h LEU 164 CO 0.07 1.45 -0.02 0.00 0.09 0.00 0.00 178.44 180.03 1xpu h ALA 165 N 0.47 0.00 -2.59 1.53 0.00 -1.32 -3.44 119.26 113.90 1xpu h ALA 165 Ca -0.17 -0.12 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 1xpu h ALA 165 Cb 2.02 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 19.41 1xpu h ALA 165 CO 0.22 0.02 -0.62 -1.13 0.00 0.00 0.00 179.25 177.74 1xpu n SER 166 N -2.33 3.13 -4.50 0.00 3.41 0.45 -3.67 113.62 110.11 1xpu n SER 166 Ca -0.00 -3.27 -0.47 0.00 -0.26 0.00 0.00 58.87 54.86 1xpu n SER 166 Cb 0.01 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 1xpu n SER 166 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xpu n PRO 167 N 1.44 1.39 -1.97 4.33 -0.04 -1.17 -4.65 135.00 134.32 1xpu n PRO 167 Ca 0.25 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.76 1xpu n PRO 167 Cb 0.39 -2.77 0.01 0.00 -0.04 0.00 0.00 33.50 31.10 1xpu n PRO 167 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xpu s ILE 168 N 7.85 4.25 0.00 0.52 1.01 -1.26 -4.92 121.20 128.65 1xpu s ILE 168 Ca 1.06 0.90 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1xpu s ILE 168 Cb -0.65 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1xpu s ILE 168 CO 0.43 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1xpu n GLY 169 N -1.79 3.52 3.53 6.18 0.00 -1.26 -2.86 105.19 112.50 1xpu n GLY 169 Ca 0.07 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1xpu n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpu s ARG 170 N -1.82 3.36 0.00 1.61 3.52 0.13 -3.29 118.95 122.46 1xpu s ARG 170 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1xpu s ARG 170 Cb 0.00 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1xpu s ARG 170 CO 0.00 -1.16 0.00 0.41 -0.81 0.00 0.00 175.30 173.74 1xpu n GLY 171 N 5.02 1.08 3.72 8.12 0.00 -1.26 -4.62 105.19 117.25 1xpu n GLY 171 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xpu n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xpu n GLN 172 N -1.32 1.20 -3.57 1.61 1.13 -1.21 -3.76 117.38 111.47 1xpu n GLN 172 Ca 0.00 0.46 -0.30 0.00 -1.94 0.00 0.00 57.00 55.23 1xpu n GLN 172 Cb 0.00 -2.51 -0.08 0.00 0.11 0.00 0.00 30.24 27.76 1xpu n GLN 172 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1xpu n ARG 173 N -1.66 2.49 -3.03 -1.09 0.63 -1.26 -0.88 116.66 111.86 1xpu n ARG 173 Ca 0.15 -4.59 -0.33 0.00 -0.92 0.00 0.00 57.85 52.16 1xpu n ARG 173 Cb 0.47 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 31.01 1xpu n ARG 173 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xpu s GLY 174 N -1.83 2.37 -0.31 5.14 0.00 0.45 -1.88 107.32 111.26 1xpu s GLY 174 Ca 0.33 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 1xpu s GLY 174 CO -0.07 0.41 0.09 -2.27 0.00 0.00 0.00 173.10 171.27 1xpu s LEU 175 N -2.99 2.32 -0.76 0.66 2.96 0.16 -1.65 118.68 119.39 1xpu s LEU 175 Ca 0.56 -1.62 -0.26 0.00 -0.22 0.00 0.00 54.13 52.59 1xpu s LEU 175 Cb -0.10 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.70 1xpu s LEU 175 CO 0.16 -0.41 1.54 -0.63 -1.32 0.00 0.00 176.35 175.70 1xpu s ILE 176 N 1.59 3.61 -0.04 6.68 -1.09 0.14 -1.92 121.20 130.17 1xpu s ILE 176 Ca 0.09 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 1xpu s ILE 176 Cb -0.17 -4.56 -0.03 0.00 -1.58 0.00 0.00 42.46 36.12 1xpu s ILE 176 CO -0.23 -1.50 1.07 -0.69 -1.23 0.00 0.00 174.94 172.35 1xpu s VAL 177 N 7.05 4.59 -0.11 2.92 1.01 0.12 -1.43 120.40 134.55 1xpu s VAL 177 Ca 0.50 1.87 -0.09 0.00 0.00 0.00 0.00 61.98 64.26 1xpu s VAL 177 Cb -0.08 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1xpu s VAL 177 CO 0.12 0.07 0.28 0.00 0.00 0.00 0.00 175.10 175.57 1xpu s ALA 178 N 1.58 -0.69 0.72 5.51 0.00 -1.10 0.42 121.76 128.20 1xpu s ALA 178 Ca 0.53 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 1xpu s ALA 178 Cb -0.22 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1xpu s ALA 178 CO 0.24 -0.16 1.08 -2.14 0.00 0.00 0.00 175.76 174.77 1xpu s PRO 179 N 0.57 2.40 0.43 0.00 0.02 -1.26 -1.84 135.00 135.32 1xpu s PRO 179 Ca -0.03 0.10 -0.25 0.00 0.02 0.00 0.00 61.00 60.84 1xpu s PRO 179 Cb -0.05 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 1xpu s PRO 179 CO -0.03 -1.23 1.24 -2.14 -0.33 0.00 0.00 177.00 174.51 1xpu s PRO 180 N -5.35 3.84 -0.80 5.54 0.02 -1.25 -4.02 135.00 132.97 1xpu s PRO 180 Ca 0.59 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1xpu s PRO 180 Cb -0.11 -2.59 -0.00 0.00 0.02 0.00 0.00 34.50 31.82 1xpu s PRO 180 CO 0.48 -0.55 0.67 1.63 -0.33 0.00 0.00 177.00 178.90 1xpu n LYS 181 N -0.18 -1.41 -0.43 5.54 5.02 -1.26 -4.95 118.16 120.49 1xpu n LYS 181 Ca 0.06 1.14 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 1xpu n LYS 181 Cb 0.46 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 1xpu n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xpu n ALA 182 N -2.26 1.86 -2.30 7.82 0.00 -1.26 -4.82 120.51 119.55 1xpu n ALA 182 Ca -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.77 1xpu n ALA 182 Cb 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.81 1xpu n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpu n GLY 183 N 0.00 0.48 0.14 0.00 0.00 -1.26 -4.86 105.19 99.70 1xpu n GLY 183 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1xpu n GLY 183 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xpu h LYS 184 N -0.24 0.37 0.10 1.61 3.64 -1.95 -2.73 116.57 117.36 1xpu h LYS 184 Ca -0.07 -0.64 -0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1xpu h LYS 184 Cb 1.04 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1xpu h LYS 184 CO 0.06 1.31 -0.05 1.15 -2.27 0.00 0.00 179.45 179.65 1xpu h THR 185 N 0.01 1.06 0.00 1.00 2.02 -1.99 -2.38 112.91 112.64 1xpu h THR 185 Ca -0.33 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1xpu h THR 185 Cb 2.02 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1xpu h THR 185 CO 0.16 0.15 -0.17 0.24 0.37 0.00 0.00 175.52 176.27 1xpu h MET 186 N -0.42 0.00 -0.11 6.66 2.86 -1.98 0.27 114.93 122.21 1xpu h MET 186 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1xpu h MET 186 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1xpu h MET 186 CO 0.02 0.17 -0.09 1.25 1.06 0.00 0.00 176.91 179.32 1xpu h LEU 187 N 0.00 0.28 -0.49 1.22 6.46 -1.48 -1.36 115.31 119.94 1xpu h LEU 187 Ca -0.00 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 57.27 1xpu h LEU 187 Cb 0.52 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1xpu h LEU 187 CO 0.02 0.68 0.20 -0.07 -0.62 0.00 0.00 178.44 178.66 1xpu h LEU 188 N -0.12 0.68 -1.31 2.25 3.38 -0.85 -1.56 115.31 117.77 1xpu h LEU 188 Ca 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1xpu h LEU 188 Cb 0.60 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xpu h LEU 188 CO 0.02 0.66 0.34 1.56 0.09 0.00 0.00 178.44 181.11 1xpu h GLN 189 N 0.66 0.81 -0.19 1.13 4.20 -0.52 -1.48 115.11 119.73 1xpu h GLN 189 Ca 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1xpu h GLN 189 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1xpu h GLN 189 CO -0.01 0.58 0.02 -0.97 -0.67 0.00 0.00 178.83 177.78 1xpu h ASN 190 N 0.82 0.30 -0.32 1.46 -0.73 -0.94 -1.83 115.58 114.35 1xpu h ASN 190 Ca 0.21 -0.27 0.03 0.00 1.87 0.00 0.00 56.30 58.14 1xpu h ASN 190 Cb -0.01 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1xpu h ASN 190 CO -0.04 0.50 0.15 0.40 -0.37 0.00 0.00 177.43 178.07 1xpu h ILE 191 N 0.10 0.97 -0.64 2.57 1.08 -0.86 -0.74 117.51 119.97 1xpu h ILE 191 Ca 0.06 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1xpu h ILE 191 Cb 0.33 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1xpu h ILE 191 CO 0.01 0.06 0.28 0.00 -0.69 0.00 0.00 178.15 177.81 1xpu h ALA 192 N 1.17 0.83 0.00 1.87 0.00 -1.29 0.47 119.26 122.32 1xpu h ALA 192 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xpu h ALA 192 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xpu h ALA 192 CO -0.11 0.42 0.00 0.37 0.00 0.00 0.00 179.25 179.94 1xpu h GLN 193 N 0.90 0.00 0.10 0.00 4.15 -1.09 -2.62 115.11 116.54 1xpu h GLN 193 Ca 0.22 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.28 1xpu h GLN 193 Cb 0.16 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1xpu h GLN 193 CO -0.02 0.00 -1.97 0.45 -1.93 0.00 0.00 178.83 175.36 1xpu n SER 194 N -2.39 2.08 -0.18 -0.69 2.88 -0.30 -3.80 113.62 111.22 1xpu n SER 194 Ca 0.03 0.20 -0.02 0.00 -1.33 0.00 0.00 58.87 57.75 1xpu n SER 194 Cb 0.30 -0.83 0.07 0.00 -0.75 0.00 0.00 64.21 63.00 1xpu n SER 194 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xpu h ILE 195 N -0.08 0.85 0.05 2.46 1.08 0.08 -1.66 117.51 120.29 1xpu h ILE 195 Ca -0.44 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1xpu h ILE 195 Cb 1.93 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1xpu h ILE 195 CO 0.03 0.08 -0.02 0.00 -0.69 0.00 0.00 178.15 177.54 1xpu h ALA 196 N 1.34 -0.07 0.00 1.87 0.00 -1.68 0.81 119.26 121.54 1xpu h ALA 196 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xpu h ALA 196 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xpu h ALA 196 CO -0.24 -0.26 0.00 0.98 0.00 0.00 0.00 179.25 179.73 1xpu n TYR 197 N -4.86 0.51 -0.04 0.00 9.36 -1.21 -3.23 117.16 117.69 1xpu n TYR 197 Ca -0.09 0.18 -0.06 0.00 3.32 0.00 0.00 57.90 61.25 1xpu n TYR 197 Cb 0.27 -0.79 -0.03 0.00 -0.63 0.00 0.00 39.34 38.16 1xpu n TYR 197 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xpu n ASN 198 N -1.95 2.53 -3.45 2.98 2.85 -0.63 -4.88 115.26 112.71 1xpu n ASN 198 Ca 0.04 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.25 1xpu n ASN 198 Cb 0.27 -0.16 -0.09 0.00 1.24 0.00 0.00 39.78 41.04 1xpu n ASN 198 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1xpu n HIS 199 N -2.92 1.09 0.75 1.20 -0.00 0.28 -4.94 115.22 110.67 1xpu n HIS 199 Ca -0.14 -3.77 0.11 0.00 -0.00 0.00 0.00 57.72 53.91 1xpu n HIS 199 Cb 0.63 -0.27 0.47 0.00 -0.00 0.00 0.00 29.99 30.82 1xpu n HIS 199 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1xpu n PRO 200 N 1.83 0.00 0.23 -0.41 -0.02 -1.20 -2.52 135.00 132.91 1xpu n PRO 200 Ca 0.25 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1xpu n PRO 200 Cb 0.45 -1.51 0.56 0.00 -0.02 0.00 0.00 33.50 32.98 1xpu n PRO 200 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xpu h ASP 201 N 0.00 0.00 -3.40 2.55 2.03 -1.90 -3.43 116.42 112.27 1xpu h ASP 201 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1xpu h ASP 201 Cb 0.38 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.84 1xpu h ASP 201 CO 0.00 0.19 0.11 0.00 -1.03 0.00 0.00 179.24 178.51 1xpu s VAL 203 N -0.29 4.49 -0.22 0.00 1.01 0.47 -4.91 120.40 120.95 1xpu s VAL 203 Ca 0.36 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 1xpu s VAL 203 Cb -0.20 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1xpu s VAL 203 CO 0.22 -0.57 0.21 -0.22 0.00 0.00 0.00 175.10 174.74 1xpu s LEU 204 N 3.71 4.15 -0.25 3.92 2.96 -1.26 0.33 118.68 132.24 1xpu s LEU 204 Ca 0.44 0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1xpu s LEU 204 Cb -0.11 -2.20 0.07 0.00 0.50 0.00 0.00 46.19 44.45 1xpu s LEU 204 CO 0.18 0.07 0.01 -0.04 -1.32 0.00 0.00 176.35 175.25 1xpu s MET 205 N 0.91 1.18 -0.20 1.98 -1.94 0.14 -0.85 119.30 120.51 1xpu s MET 205 Ca 0.11 -0.95 -0.23 0.00 -1.71 0.00 0.00 55.69 52.91 1xpu s MET 205 Cb -0.13 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.30 1xpu s MET 205 CO 0.04 -0.72 0.75 0.08 -0.01 0.00 0.00 175.02 175.15 1xpu s VAL 206 N 1.51 4.92 -0.28 -6.03 1.01 0.43 -1.66 120.40 120.31 1xpu s VAL 206 Ca 0.00 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1xpu s VAL 206 Cb -0.18 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1xpu s VAL 206 CO -0.11 0.03 -0.03 -0.22 0.00 0.00 0.00 175.10 174.77 1xpu s LEU 207 N 2.28 3.58 -0.20 3.92 2.96 -0.06 -1.42 118.68 129.74 1xpu s LEU 207 Ca 0.33 -1.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 1xpu s LEU 207 Cb -0.16 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1xpu s LEU 207 CO 0.10 -0.20 0.02 -0.76 -1.32 0.00 0.00 176.35 174.19 1xpu s LEU 208 N 1.28 3.44 -0.10 -0.68 1.43 -0.84 -0.60 118.68 122.61 1xpu s LEU 208 Ca -0.03 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1xpu s LEU 208 Cb -0.18 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xpu s LEU 208 CO -0.03 0.09 -0.22 -0.63 0.23 0.00 0.00 176.35 175.80 1xpu s ILE 209 N 0.85 2.30 -1.02 -0.59 1.01 -1.22 -1.49 121.20 121.05 1xpu s ILE 209 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xpu s ILE 209 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1xpu s ILE 209 CO 0.02 0.55 0.00 -0.67 0.00 0.00 0.00 174.94 174.85 1xpu n ASP 210 N 3.40 -4.07 -4.82 3.58 2.03 0.11 -4.87 116.55 111.90 1xpu n ASP 210 Ca -0.19 0.21 -0.32 0.00 0.52 0.00 0.00 54.79 55.01 1xpu n ASP 210 Cb 0.53 -2.57 0.00 0.00 -0.72 0.00 0.00 41.12 38.36 1xpu n ASP 210 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1xpu s GLU 211 N -3.07 3.48 0.37 -0.67 2.56 -0.60 -3.60 118.70 117.17 1xpu s GLU 211 Ca 0.00 1.05 -0.27 0.00 0.00 0.00 0.00 54.97 55.75 1xpu s GLU 211 Cb 0.00 -2.06 -0.09 0.00 2.00 0.00 0.00 34.13 33.98 1xpu s GLU 211 CO 0.00 -0.67 1.26 1.03 -0.56 0.00 0.00 175.26 176.32 1xpu s ARG 212 N -4.32 4.19 0.15 4.30 0.52 -1.26 -1.82 118.95 120.70 1xpu s ARG 212 Ca 0.60 2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 57.70 1xpu s ARG 212 Cb -0.13 -2.89 0.04 0.00 0.52 0.00 0.00 34.95 32.49 1xpu s ARG 212 CO 0.40 -0.28 1.67 -1.35 0.02 0.00 0.00 175.30 175.76 1xpu h PRO 213 N 3.02 -0.05 0.00 3.54 0.11 -1.97 -2.22 132.00 134.43 1xpu h PRO 213 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xpu h PRO 213 Cb 1.23 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xpu h PRO 213 CO 0.64 -0.03 -0.16 1.05 -0.21 0.00 0.00 178.00 179.29 1xpu h GLU 214 N -0.05 0.00 0.00 1.05 9.09 -2.00 -1.98 114.58 120.69 1xpu h GLU 214 Ca 0.15 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.42 1xpu h GLU 214 Cb 0.28 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.36 1xpu h GLU 214 CO -0.34 0.16 -0.68 1.49 0.05 0.00 0.00 179.01 179.69 1xpu h GLU 215 N 0.00 0.00 -0.14 1.06 4.57 -1.81 -2.68 114.58 115.58 1xpu h GLU 215 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1xpu h GLU 215 Cb 0.46 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1xpu h GLU 215 CO 0.02 0.68 0.04 0.28 -1.18 0.00 0.00 179.01 178.85 1xpu h VAL 216 N 0.00 1.19 -0.50 0.32 2.07 -0.83 -0.95 116.25 117.56 1xpu h VAL 216 Ca -0.01 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1xpu h VAL 216 Cb 1.39 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1xpu h VAL 216 CO 0.09 0.18 0.22 0.74 0.02 0.00 0.00 177.57 178.81 1xpu h THR 217 N 0.04 0.90 -0.13 2.57 2.02 -1.46 0.23 112.91 117.07 1xpu h THR 217 Ca 0.04 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1xpu h THR 217 Cb 0.24 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1xpu h THR 217 CO -0.00 0.08 -0.03 -0.08 0.37 0.00 0.00 175.52 175.86 1xpu h GLU 218 N 0.43 0.25 -0.03 6.66 4.81 -1.45 -2.27 114.58 122.99 1xpu h GLU 218 Ca 0.23 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1xpu h GLU 218 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xpu h GLU 218 CO -0.19 0.55 -0.12 1.98 -0.73 0.00 0.00 179.01 180.49 1xpu h MET 219 N -0.05 0.04 0.00 1.92 4.05 -0.99 -2.07 114.93 117.83 1xpu h MET 219 Ca 0.03 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 1xpu h MET 219 Cb 0.45 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1xpu h MET 219 CO 0.01 0.17 -0.45 0.37 0.23 0.00 0.00 176.91 177.24 1xpu h GLN 220 N 0.04 0.00 0.00 0.39 4.15 -0.34 -3.17 115.11 116.18 1xpu h GLN 220 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1xpu h GLN 220 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1xpu h GLN 220 CO 0.02 0.45 -1.67 0.54 -1.93 0.00 0.00 178.83 176.24 1xpu n ARG 221 N -3.61 0.64 0.06 1.69 1.74 -0.83 -4.28 116.66 112.08 1xpu n ARG 221 Ca -0.00 -0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1xpu n ARG 221 Cb 0.55 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1xpu n ARG 221 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xpu n LEU 222 N -2.55 0.63 -4.65 0.55 4.77 -0.93 -4.90 117.00 109.91 1xpu n LEU 222 Ca -0.08 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.78 1xpu n LEU 222 Cb 0.69 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1xpu n LEU 222 CO 0.43 -0.06 0.01 -0.69 -1.33 0.00 0.00 177.39 175.75 1xpu s VAL 223 N -3.29 5.24 -1.14 4.08 1.01 -1.20 -4.85 120.40 120.24 1xpu s VAL 223 Ca -0.03 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1xpu s VAL 223 Cb 0.10 -3.65 0.16 0.00 0.00 0.00 0.00 36.38 32.99 1xpu s VAL 223 CO 0.82 0.26 1.37 -0.75 0.00 0.00 0.00 175.10 176.80 1xpu s LYS 224 N 1.41 3.97 0.00 2.72 2.20 -1.26 -4.86 119.74 123.92 1xpu s LYS 224 Ca 0.15 -2.37 0.00 0.00 -0.36 0.00 0.00 55.97 53.39 1xpu s LYS 224 Cb -0.15 -5.04 0.00 0.00 -1.51 0.00 0.00 37.83 31.13 1xpu s LYS 224 CO 0.07 -1.78 0.00 0.41 -0.36 0.00 0.00 175.35 173.69 1xpu n GLY 225 N 4.48 1.21 3.33 5.54 0.00 -1.26 -4.82 105.19 113.68 1xpu n GLY 225 Ca 0.34 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1xpu n GLY 225 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xpu s GLU 226 N 1.66 2.81 -0.43 1.61 2.12 -0.03 -5.00 118.70 121.44 1xpu s GLU 226 Ca 0.00 -1.43 -0.17 0.00 0.36 0.00 0.00 54.97 53.73 1xpu s GLU 226 Cb 0.00 -3.99 0.03 0.00 0.26 0.00 0.00 34.13 30.43 1xpu s GLU 226 CO 0.00 -1.02 0.45 0.08 -0.54 0.00 0.00 175.26 174.23 1xpu s VAL 227 N 1.54 5.08 -0.16 3.70 1.01 -1.26 -0.43 120.40 129.88 1xpu s VAL 227 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1xpu s VAL 227 Cb -0.24 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xpu s VAL 227 CO 0.04 -0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 173.82 1xpu s VAL 228 N 2.14 2.36 0.03 2.92 1.01 -0.51 -4.90 120.40 123.46 1xpu s VAL 228 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xpu s VAL 228 Cb -0.17 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1xpu s VAL 228 CO 0.13 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.72 1xpu s ALA 229 N 0.98 0.32 -0.08 5.51 0.00 -1.26 -1.98 121.76 125.25 1xpu s ALA 229 Ca -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1xpu s ALA 229 Cb -0.15 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1xpu s ALA 229 CO -0.04 -0.19 -0.12 -1.54 0.00 0.00 0.00 175.76 173.87 1xpu s SER 230 N -1.90 1.97 0.70 0.00 1.04 -0.56 -4.77 113.70 110.19 1xpu s SER 230 Ca -0.08 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 1xpu s SER 230 Cb -0.05 -0.87 0.01 0.00 0.10 0.00 0.00 66.02 65.21 1xpu s SER 230 CO -0.03 -0.01 1.08 0.42 0.98 0.00 0.00 173.24 175.68 1xpu s THR 231 N 0.97 3.72 0.41 2.02 -4.23 -1.26 0.05 115.64 117.32 1xpu s THR 231 Ca -0.09 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.19 1xpu s THR 231 Cb -0.15 -3.49 0.23 0.00 1.34 0.00 0.00 72.50 70.43 1xpu s THR 231 CO -0.00 -0.73 2.00 2.19 -0.54 0.00 0.00 174.62 177.55 1xpu h PHE 232 N -0.66 0.00 0.00 3.99 -5.15 -1.42 -2.05 116.94 111.65 1xpu h PHE 232 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1xpu h PHE 232 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1xpu h PHE 232 CO 0.54 0.18 0.00 -0.40 -2.00 0.00 0.00 178.31 176.63 1xpu n ASP 233 N -3.90 0.00 -4.88 -0.68 5.68 -1.26 -4.79 116.55 106.72 1xpu n ASP 233 Ca -0.02 -0.20 -0.30 0.00 -0.50 0.00 0.00 54.79 53.77 1xpu n ASP 233 Cb 0.27 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 1xpu n ASP 233 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1xpu s GLU 234 N -2.46 3.74 0.86 0.11 2.02 -0.77 -5.07 118.70 117.13 1xpu s GLU 234 Ca 0.26 0.37 -0.10 0.00 0.02 0.00 0.00 54.97 55.51 1xpu s GLU 234 Cb 0.16 -2.43 0.11 0.00 0.10 0.00 0.00 34.13 32.07 1xpu s GLU 234 CO 0.35 -0.00 1.12 -2.14 0.02 0.00 0.00 175.26 174.61 1xpu s PRO 235 N -3.85 1.51 0.26 0.39 0.02 -1.26 -4.85 135.00 127.21 1xpu s PRO 235 Ca 0.50 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 1xpu s PRO 235 Cb -0.10 -1.80 0.32 0.00 0.02 0.00 0.00 34.50 32.93 1xpu s PRO 235 CO 0.32 -2.22 1.78 0.00 -0.33 0.00 0.00 177.00 176.55 1xpu h ALA 236 N -1.56 1.12 -0.46 -1.55 0.00 -1.95 -1.94 119.26 112.92 1xpu h ALA 236 Ca -0.44 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.26 1xpu h ALA 236 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xpu h ALA 236 CO 0.46 0.58 0.30 0.66 0.00 0.00 0.00 179.25 181.26 1xpu h SER 237 N 0.84 0.45 -0.15 0.00 4.64 -1.92 -2.49 113.55 114.92 1xpu h SER 237 Ca 0.18 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1xpu h SER 237 Cb 0.36 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xpu h SER 237 CO 0.01 0.32 -0.28 -0.09 -0.87 0.00 0.00 176.83 175.91 1xpu h ARG 238 N 0.53 0.46 -0.72 4.77 9.65 -1.73 -1.60 114.38 125.74 1xpu h ARG 238 Ca 0.18 -0.29 0.13 0.00 -1.10 0.00 0.00 59.98 58.90 1xpu h ARG 238 Cb 0.08 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1xpu h ARG 238 CO -0.04 0.89 0.48 0.45 2.80 0.00 0.00 179.97 184.55 1xpu h HIS 239 N 0.08 0.52 -0.09 2.20 3.86 -1.06 -1.45 115.15 119.22 1xpu h HIS 239 Ca 0.01 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 1xpu h HIS 239 Cb 0.87 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 29.18 1xpu h HIS 239 CO 0.10 0.22 -0.62 0.28 0.86 0.00 0.00 177.93 178.76 1xpu h VAL 240 N 0.46 1.35 0.27 2.45 2.07 -1.35 -3.26 116.25 118.24 1xpu h VAL 240 Ca 0.35 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1xpu h VAL 240 Cb 0.71 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1xpu h VAL 240 CO -0.11 0.59 -0.23 -0.61 0.02 0.00 0.00 177.57 177.23 1xpu h GLN 241 N 0.18 -0.49 -0.94 1.57 4.15 -0.26 -0.44 115.11 118.89 1xpu h GLN 241 Ca -0.05 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.55 1xpu h GLN 241 Cb 1.27 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 29.00 1xpu h GLN 241 CO 0.13 -0.33 0.60 -0.39 -1.93 0.00 0.00 178.83 176.90 1xpu h VAL 242 N -0.51 0.83 -0.08 2.39 -1.51 -1.58 -0.66 116.25 115.13 1xpu h VAL 242 Ca -0.01 -0.26 -0.04 0.00 -1.23 0.00 0.00 66.70 65.15 1xpu h VAL 242 Cb 0.46 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1xpu h VAL 242 CO -0.02 0.14 -0.12 0.00 -1.23 0.00 0.00 177.57 176.34 1xpu h ALA 243 N 1.59 0.12 -0.08 5.19 0.00 -1.47 -2.48 119.26 122.13 1xpu h ALA 243 Ca 0.48 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1xpu h ALA 243 Cb 0.72 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xpu h ALA 243 CO -0.24 -0.01 -0.40 0.93 0.00 0.00 0.00 179.25 179.53 1xpu h GLU 244 N -0.24 0.16 -0.28 0.00 5.08 -0.71 -1.63 114.58 116.96 1xpu h GLU 244 Ca 0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1xpu h GLU 244 Cb 0.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1xpu h GLU 244 CO 0.03 0.54 -0.15 1.98 -1.00 0.00 0.00 179.01 180.40 1xpu h MET 245 N 0.14 0.60 -0.27 2.33 4.05 -1.18 -2.58 114.93 118.02 1xpu h MET 245 Ca 0.01 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1xpu h MET 245 Cb 0.76 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1xpu h MET 245 CO 0.06 0.85 0.08 0.28 0.23 0.00 0.00 176.91 178.41 1xpu h VAL 246 N 0.34 1.20 -0.31 -5.77 2.07 -1.25 -1.72 116.25 110.81 1xpu h VAL 246 Ca 0.06 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 1xpu h VAL 246 Cb 0.67 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xpu h VAL 246 CO 0.04 0.21 -0.19 -0.29 0.02 0.00 0.00 177.57 177.36 1xpu h ILE 247 N 0.28 1.26 -0.27 4.57 6.09 -1.36 -0.76 117.51 127.30 1xpu h ILE 247 Ca 0.09 -1.20 -0.14 0.00 -1.37 0.00 0.00 64.86 62.23 1xpu h ILE 247 Cb 0.24 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 38.76 1xpu h ILE 247 CO -0.00 0.39 -0.37 -0.33 -3.07 0.00 0.00 178.15 174.77 1xpu h GLU 248 N 0.51 0.73 -0.33 2.19 4.39 -1.39 -1.69 114.58 118.99 1xpu h GLU 248 Ca 0.08 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1xpu h GLU 248 Cb 0.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1xpu h GLU 248 CO 0.04 1.04 0.18 -0.22 -1.16 0.00 0.00 179.01 178.90 1xpu h LYS 249 N 0.47 0.47 -0.60 2.33 3.64 -1.19 -2.42 116.57 119.27 1xpu h LYS 249 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xpu h LYS 249 Cb 0.96 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1xpu h LYS 249 CO 0.09 0.40 0.35 0.00 -2.27 0.00 0.00 179.45 178.02 1xpu h ALA 250 N 1.04 1.50 -0.37 5.00 0.00 -1.10 -2.35 119.26 122.98 1xpu h ALA 250 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xpu h ALA 250 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xpu h ALA 250 CO -0.02 0.43 0.17 0.87 0.00 0.00 0.00 179.25 180.70 1xpu h LYS 251 N 0.82 0.53 -0.90 0.00 1.57 -1.07 -2.70 116.57 114.82 1xpu h LYS 251 Ca 0.21 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1xpu h LYS 251 Cb -0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 1xpu h LYS 251 CO -0.04 0.49 0.57 0.00 -0.57 0.00 0.00 179.45 179.91 1xpu h ARG 252 N 0.45 1.04 -0.36 3.15 2.47 -0.94 -0.10 114.38 120.09 1xpu h ARG 252 Ca 0.12 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.71 1xpu h ARG 252 Cb 0.14 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1xpu h ARG 252 CO -0.01 0.69 -0.09 -0.07 0.56 0.00 0.00 179.97 181.05 1xpu h LEU 253 N 1.07 0.60 -0.68 3.04 3.38 -1.35 -2.28 115.31 119.09 1xpu h LEU 253 Ca 0.38 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1xpu h LEU 253 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xpu h LEU 253 CO -0.15 0.73 -0.47 0.58 0.09 0.00 0.00 178.44 179.22 1xpu h VAL 254 N 0.57 1.32 0.00 1.22 2.07 -1.02 -0.60 116.25 119.81 1xpu h VAL 254 Ca 0.11 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1xpu h VAL 254 Cb 0.49 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1xpu h VAL 254 CO 0.03 0.52 0.00 -0.33 0.02 0.00 0.00 177.57 177.80 1xpu h GLU 255 N 0.36 0.00 -0.49 1.57 5.08 -0.49 -0.08 114.58 120.53 1xpu h GLU 255 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 1xpu h GLU 255 Cb 0.97 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 1xpu h GLU 255 CO 0.08 0.00 0.10 0.72 -1.00 0.00 0.00 179.01 178.92 1xpu n HIS 256 N -2.30 1.56 -0.74 4.33 8.25 -0.85 -4.70 115.22 120.77 1xpu n HIS 256 Ca -0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1xpu n HIS 256 Cb 0.11 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1xpu n HIS 256 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xpu n LYS 257 N -0.93 -0.25 -2.63 -0.41 3.00 -0.04 -4.96 118.16 111.94 1xpu n LYS 257 Ca 0.37 0.06 -0.39 0.00 -0.00 0.00 0.00 58.31 58.35 1xpu n LYS 257 Cb 1.16 -3.89 -0.05 0.00 0.00 0.00 0.00 35.03 32.25 1xpu n LYS 257 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xpu s LYS 258 N -0.77 4.65 -0.30 1.64 1.02 -0.29 -3.27 119.74 122.42 1xpu s LYS 258 Ca 0.00 1.58 -0.22 0.00 0.02 0.00 0.00 55.97 57.35 1xpu s LYS 258 Cb 0.00 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1xpu s LYS 258 CO 0.00 0.29 0.72 -0.51 -0.92 0.00 0.00 175.35 174.93 1xpu s ASP 259 N -1.19 6.61 -0.01 2.83 1.01 -1.26 -3.11 116.67 121.55 1xpu s ASP 259 Ca 0.46 0.62 0.05 0.00 0.71 0.00 0.00 52.55 54.38 1xpu s ASP 259 Cb -0.26 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1xpu s ASP 259 CO 0.33 -0.53 -0.14 -0.69 0.21 0.00 0.00 175.17 174.35 1xpu s VAL 260 N 2.78 3.10 -0.11 -1.27 1.01 0.24 -0.39 120.40 125.76 1xpu s VAL 260 Ca 0.29 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xpu s VAL 260 Cb -0.15 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1xpu s VAL 260 CO 0.11 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 174.94 1xpu s ILE 261 N -0.84 1.31 -0.26 2.22 1.01 0.15 -1.12 121.20 123.66 1xpu s ILE 261 Ca 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1xpu s ILE 261 Cb -0.11 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1xpu s ILE 261 CO 0.03 0.41 0.01 -0.63 0.00 0.00 0.00 174.94 174.76 1xpu s ILE 262 N 1.20 3.54 -0.60 2.92 1.01 -0.28 0.27 121.20 129.27 1xpu s ILE 262 Ca -0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1xpu s ILE 262 Cb -0.14 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.66 1xpu s ILE 262 CO -0.04 0.20 0.75 -0.76 0.00 0.00 0.00 174.94 175.09 1xpu s LEU 263 N 1.45 5.16 -0.31 2.97 1.43 -0.66 -1.73 118.68 126.99 1xpu s LEU 263 Ca 0.03 -1.31 -0.16 0.00 -1.03 0.00 0.00 54.13 51.66 1xpu s LEU 263 Cb -0.16 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 1xpu s LEU 263 CO -0.01 -1.17 0.42 -0.22 0.23 0.00 0.00 176.35 175.60 1xpu s LEU 264 N 2.96 4.23 -0.39 1.79 2.96 0.33 -0.88 118.68 129.68 1xpu s LEU 264 Ca 0.14 0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 1xpu s LEU 264 Cb -0.22 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.02 1xpu s LEU 264 CO 0.07 -0.31 0.76 -0.62 -1.32 0.00 0.00 176.35 174.93 1xpu s ASP 265 N 1.69 6.48 -0.00 3.68 -1.08 0.23 -1.25 116.67 126.41 1xpu s ASP 265 Ca 0.15 0.14 -0.00 0.00 -0.52 0.00 0.00 52.55 52.32 1xpu s ASP 265 Cb -0.16 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1xpu s ASP 265 CO 0.11 -0.78 0.00 -1.20 0.52 0.00 0.00 175.17 173.83 1xpu n SER 266 N 6.46 -2.05 0.25 -0.34 7.64 -1.13 -3.38 113.62 121.07 1xpu n SER 266 Ca 0.02 0.01 0.14 0.00 1.01 0.00 0.00 58.87 60.04 1xpu n SER 266 Cb 0.48 -1.04 0.56 0.00 -1.01 0.00 0.00 64.21 63.21 1xpu n SER 266 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1xpu h ILE 267 N 0.02 0.27 0.11 0.44 6.09 -1.56 -2.88 117.51 120.01 1xpu h ILE 267 Ca 0.00 -0.82 -0.01 0.00 -1.37 0.00 0.00 64.86 62.67 1xpu h ILE 267 Cb 0.00 1.65 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1xpu h ILE 267 CO 0.00 0.11 -0.06 0.71 -3.07 0.00 0.00 178.15 175.84 1xpu h THR 268 N 0.00 1.04 -0.32 2.19 1.35 -1.93 -1.87 112.91 113.37 1xpu h THR 268 Ca -0.00 -1.23 0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1xpu h THR 268 Cb 0.64 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1xpu h THR 268 CO 0.01 0.27 0.21 0.03 -0.25 0.00 0.00 175.52 175.80 1xpu h ARG 269 N -0.79 0.39 -0.23 4.72 2.47 -1.91 0.38 114.38 119.41 1xpu h ARG 269 Ca -0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1xpu h ARG 269 Cb 0.56 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1xpu h ARG 269 CO 0.03 0.26 0.09 1.25 0.56 0.00 0.00 179.97 182.15 1xpu h LEU 270 N 0.41 0.32 -1.21 3.04 5.85 -1.54 -1.51 115.31 120.67 1xpu h LEU 270 Ca 0.12 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1xpu h LEU 270 Cb -0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xpu h LEU 270 CO -0.03 0.40 -0.20 0.00 -0.34 0.00 0.00 178.44 178.27 1xpu h ALA 271 N 0.93 1.34 -0.58 1.25 0.00 -0.31 -1.78 119.26 120.10 1xpu h ALA 271 Ca 0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1xpu h ALA 271 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xpu h ALA 271 CO -0.01 0.45 0.09 0.00 0.00 0.00 0.00 179.25 179.79 1xpu h ARG 272 N 0.27 0.93 0.18 0.00 2.47 -0.12 -1.18 114.38 116.93 1xpu h ARG 272 Ca 0.05 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 1xpu h ARG 272 Cb 0.52 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1xpu h ARG 272 CO 0.03 0.86 -0.08 0.00 0.56 0.00 0.00 179.97 181.34 1xpu h ALA 273 N 1.22 -0.24 -0.60 0.04 0.00 -0.86 -3.07 119.26 115.75 1xpu h ALA 273 Ca 0.18 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1xpu h ALA 273 Cb 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xpu h ALA 273 CO 0.01 -0.42 0.41 1.88 0.00 0.00 0.00 179.25 181.13 1xpu h TYR 274 N -0.66 0.19 -0.16 0.00 0.05 -1.31 -1.86 116.97 113.23 1xpu h TYR 274 Ca -0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1xpu h TYR 274 Cb 0.48 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1xpu h TYR 274 CO 0.05 0.08 0.08 -0.97 -1.05 0.00 0.00 178.16 176.35 1xpu h ASN 275 N 0.17 0.20 1.75 3.88 -0.73 -1.13 -0.39 115.58 119.32 1xpu h ASN 275 Ca 0.29 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1xpu h ASN 275 Cb 0.90 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1xpu h ASN 275 CO -0.04 0.24 -0.21 0.71 -0.37 0.00 0.00 177.43 177.76 1xpu h THR 276 N 0.14 0.00 0.00 -3.57 1.35 -1.36 -3.35 112.91 106.13 1xpu h THR 276 Ca 0.05 -0.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.93 1xpu h THR 276 Cb 0.09 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1xpu h THR 276 CO -0.01 0.00 -0.20 0.58 -0.25 0.00 0.00 175.52 175.64 1xpu h VAL 277 N 0.00 0.99 -3.97 6.82 2.07 -1.29 -3.47 116.25 117.40 1xpu h VAL 277 Ca 0.00 -1.81 -0.53 0.00 0.82 0.00 0.00 66.70 65.18 1xpu h VAL 277 Cb 0.98 1.94 0.09 0.00 -1.52 0.00 0.00 31.29 32.78 1xpu h VAL 277 CO 0.00 0.34 0.61 0.54 0.02 0.00 0.00 177.57 179.08 1xpu s VAL 278 N -2.03 2.51 0.95 2.57 0.11 -0.16 -5.02 120.40 119.33 1xpu s VAL 278 Ca -0.14 0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 59.22 1xpu s VAL 278 Cb -0.01 -3.25 0.16 0.00 -1.53 0.00 0.00 36.38 31.76 1xpu s VAL 278 CO 0.43 0.05 1.13 -2.84 -3.33 0.00 0.00 175.10 170.54 1xpu s PRO 279 N -2.42 0.82 1.43 1.54 0.02 -1.26 -4.89 135.00 130.24 1xpu s PRO 279 Ca 0.60 0.30 -0.22 0.00 0.02 0.00 0.00 61.00 61.70 1xpu s PRO 279 Cb -0.38 -1.80 0.37 0.00 0.02 0.00 0.00 34.50 32.71 1xpu s PRO 279 CO 0.48 -2.42 0.89 0.00 -0.33 0.00 0.00 177.00 175.63 1xpu n ALA 280 N -3.92 -4.81 -1.13 -1.55 0.00 -1.26 -4.86 120.51 102.97 1xpu n ALA 280 Ca 0.07 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1xpu n ALA 280 Cb 0.59 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xpu n ALA 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xpu n VAL 284 N -5.70 -6.12 -4.08 0.00 0.31 -1.26 -4.94 118.33 96.54 1xpu n VAL 284 Ca 0.11 1.54 -0.09 0.00 -0.01 0.00 0.00 64.34 65.89 1xpu n VAL 284 Cb 0.59 -3.19 -0.09 0.00 -0.91 0.00 0.00 33.84 30.24 1xpu n VAL 284 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xpu s LEU 285 N -0.69 1.81 -0.42 7.52 1.43 -1.26 -4.34 118.68 122.73 1xpu s LEU 285 Ca 0.00 -1.05 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1xpu s LEU 285 Cb 0.00 0.48 0.31 0.00 0.03 0.00 0.00 46.19 47.01 1xpu s LEU 285 CO 0.00 -0.72 0.86 0.41 0.23 0.00 0.00 176.35 177.13 1xpu n THR 286 N -0.05 -0.16 -2.03 5.49 -1.04 -0.98 -4.94 114.28 110.57 1xpu n THR 286 Ca -0.09 -2.96 0.00 0.00 -2.04 0.00 0.00 64.05 58.96 1xpu n THR 286 Cb 0.63 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 1xpu n THR 286 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xpu n GLY 287 N 0.68 0.71 0.00 3.41 0.00 -1.26 -4.16 105.19 104.57 1xpu n GLY 287 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1xpu n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpu n GLY 288 N -0.76 3.24 3.68 -0.02 0.00 -1.26 -3.96 105.19 106.11 1xpu n GLY 288 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1xpu n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpu s VAL 289 N 0.00 4.50 0.00 1.61 0.11 -1.26 -5.00 120.40 120.36 1xpu s VAL 289 Ca 0.00 1.80 -0.30 0.00 -2.93 0.00 0.00 61.98 60.54 1xpu s VAL 289 Cb 0.00 -4.16 -0.06 0.00 -1.53 0.00 0.00 36.38 30.63 1xpu s VAL 289 CO 0.00 -0.04 1.55 -0.62 -3.33 0.00 0.00 175.10 172.66 1xpu s ASP 290 N 1.37 6.72 0.30 3.54 -1.08 -1.26 -2.32 116.67 123.93 1xpu s ASP 290 Ca 0.52 2.26 0.08 0.00 -0.52 0.00 0.00 52.55 54.89 1xpu s ASP 290 Cb -0.21 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.17 1xpu s ASP 290 CO 0.18 -0.83 1.69 0.00 0.52 0.00 0.00 175.17 176.73 1xpu h ALA 291 N 8.46 1.11 -0.02 3.66 0.00 -1.93 -2.42 119.26 128.13 1xpu h ALA 291 Ca -0.39 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.08 1xpu h ALA 291 Cb 1.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xpu h ALA 291 CO 0.93 0.61 0.02 -0.97 0.00 0.00 0.00 179.25 179.84 1xpu h ASN 292 N 0.12 0.00 0.15 0.00 -0.73 -1.91 -3.15 115.58 110.06 1xpu h ASN 292 Ca 0.01 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 1xpu h ASN 292 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 1xpu h ASN 292 CO 0.07 0.00 -0.83 0.00 -0.37 0.00 0.00 177.43 176.30 1xpu h ALA 293 N 1.99 0.42 0.00 1.57 0.00 -1.76 -3.28 119.26 118.19 1xpu h ALA 293 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xpu h ALA 293 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xpu h ALA 293 CO -0.00 0.75 0.02 1.28 0.00 0.00 0.00 179.25 181.30 1xpu n LEU 294 N -3.84 0.00 0.04 0.00 4.77 -1.19 -3.03 117.00 113.75 1xpu n LEU 294 Ca -0.06 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 1xpu n LEU 294 Cb 0.77 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1xpu n LEU 294 CO 0.51 -0.32 0.80 -0.74 -1.33 0.00 0.00 177.39 176.31 1xpu h HIS 295 N 0.00 -0.03 -0.57 -1.77 2.76 -1.77 -2.78 115.15 110.98 1xpu h HIS 295 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1xpu h HIS 295 Cb 0.05 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1xpu h HIS 295 CO 0.00 0.11 0.28 0.00 -1.30 0.00 0.00 177.93 177.02 1xpu h ARG 296 N -0.16 0.83 -0.78 5.26 2.47 -1.84 -2.00 114.38 118.16 1xpu h ARG 296 Ca -0.00 -0.12 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 1xpu h ARG 296 Cb 0.15 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1xpu h ARG 296 CO 0.00 0.67 0.40 -1.35 0.56 0.00 0.00 179.97 180.25 1xpu h PRO 297 N 0.78 1.10 -0.06 0.04 0.11 -1.78 -2.67 132.00 129.52 1xpu h PRO 297 Ca 0.20 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1xpu h PRO 297 Cb 0.12 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1xpu h PRO 297 CO -0.03 0.83 -0.12 0.87 -0.21 0.00 0.00 178.00 179.35 1xpu h LYS 298 N 1.10 0.08 -0.00 1.05 1.79 -1.16 -2.20 116.57 117.23 1xpu h LYS 298 Ca 0.27 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1xpu h LYS 298 Cb 0.07 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1xpu h LYS 298 CO -0.04 0.21 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 1xpu h ARG 299 N 0.08 0.00 -0.12 3.15 2.47 -1.10 0.31 114.38 119.18 1xpu h ARG 299 Ca 0.02 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 1xpu h ARG 299 Cb 0.26 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 1xpu h ARG 299 CO 0.02 0.31 -0.36 0.35 0.56 0.00 0.00 179.97 180.84 1xpu h PHE 300 N -0.30 -1.02 -0.22 3.04 3.57 -1.14 0.23 116.94 121.11 1xpu h PHE 300 Ca 0.00 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1xpu h PHE 300 Cb 0.30 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1xpu h PHE 300 CO 0.03 -0.43 -0.27 0.35 -2.23 0.00 0.00 178.31 175.75 1xpu h PHE 301 N -0.44 0.48 0.00 0.41 -0.00 -1.46 -2.85 116.94 113.08 1xpu h PHE 301 Ca 0.09 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.97 57.92 1xpu h PHE 301 Cb 0.58 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.41 1xpu h PHE 301 CO -0.44 0.66 -0.17 0.78 -0.00 0.00 0.00 178.31 179.15 1xpu h GLY 302 N 1.03 0.00 2.00 2.40 0.00 0.47 -2.72 103.07 106.25 1xpu h GLY 302 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xpu h GLY 302 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1xpu n ALA 303 N -2.23 1.59 -2.04 3.60 0.00 0.74 -4.68 120.51 117.49 1xpu n ALA 303 Ca -0.01 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1xpu n ALA 303 Cb 0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1xpu n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpu s ALA 304 N -3.21 3.58 0.02 0.00 0.00 -1.03 -4.83 121.76 116.29 1xpu s ALA 304 Ca 0.04 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 1xpu s ALA 304 Cb 0.09 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.55 1xpu s ALA 304 CO 0.32 -1.44 0.76 -0.98 0.00 0.00 0.00 175.76 174.42 1xpu s ARG 305 N 4.07 0.99 -0.34 0.00 1.70 -0.59 -4.85 118.95 119.94 1xpu s ARG 305 Ca 0.72 -0.19 -0.10 0.00 -0.47 0.00 0.00 55.73 55.70 1xpu s ARG 305 Cb -0.32 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1xpu s ARG 305 CO 0.28 -0.40 0.16 1.21 -1.08 0.00 0.00 175.30 175.48 1xpu s ASN 306 N -2.13 5.55 0.04 -2.89 2.47 -1.26 -1.60 114.94 115.12 1xpu s ASN 306 Ca -0.00 -0.80 -0.30 0.00 0.42 0.00 0.00 52.86 52.17 1xpu s ASN 306 Cb -0.01 -1.98 -0.07 0.00 -1.45 0.00 0.00 41.25 37.74 1xpu s ASN 306 CO -0.05 -0.29 1.45 -0.69 -3.72 0.00 0.00 177.10 173.80 1xpu s VAL 307 N 1.56 3.50 0.15 -5.21 1.01 -0.90 -3.36 120.40 117.15 1xpu s VAL 307 Ca 0.03 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 1xpu s VAL 307 Cb -0.18 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1xpu s VAL 307 CO 0.06 0.01 1.64 -0.08 0.00 0.00 0.00 175.10 176.73 1xpu h GLU 308 N 7.71 -0.17 -1.89 2.72 4.81 -1.19 -2.19 114.58 124.37 1xpu h GLU 308 Ca -0.40 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1xpu h GLU 308 Cb 1.19 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1xpu h GLU 308 CO 0.90 -0.12 0.03 -0.85 -0.73 0.00 0.00 179.01 178.24 1xpu n GLU 309 N -5.35 1.05 0.00 1.92 0.00 -1.26 -4.91 120.64 112.09 1xpu n GLU 309 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1xpu n GLU 309 Cb 0.26 -1.04 0.00 0.00 0.00 0.00 0.00 31.44 30.66 1xpu n GLU 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xpu n GLY 310 N 1.35 -2.26 0.00 -1.84 0.00 -0.82 -4.95 105.19 96.67 1xpu n GLY 310 Ca 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1xpu n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpu n GLY 311 N -1.02 2.39 3.55 -0.02 0.00 -1.20 -4.55 105.19 104.33 1xpu n GLY 311 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 1xpu n GLY 311 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpu s SER 312 N 0.00 -0.69 -0.37 1.61 0.15 -1.18 -2.11 113.70 111.11 1xpu s SER 312 Ca 0.00 1.31 0.03 0.00 0.70 0.00 0.00 55.95 57.99 1xpu s SER 312 Cb 0.00 1.31 0.11 0.00 -1.71 0.00 0.00 66.02 65.73 1xpu s SER 312 CO 0.00 -0.22 0.10 -0.22 1.20 0.00 0.00 173.24 174.09 1xpu s LEU 313 N 0.46 4.26 -0.15 3.45 2.96 -0.63 0.80 118.68 129.84 1xpu s LEU 313 Ca -0.01 -2.25 -0.13 0.00 -0.22 0.00 0.00 54.13 51.52 1xpu s LEU 313 Cb -0.05 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1xpu s LEU 313 CO -0.01 -0.36 0.28 0.28 -1.32 0.00 0.00 176.35 175.23 1xpu s THR 314 N 0.78 5.30 -0.13 3.68 -1.32 -0.27 -1.54 115.64 122.15 1xpu s THR 314 Ca 0.12 0.53 0.01 0.00 -1.21 0.00 0.00 61.69 61.14 1xpu s THR 314 Cb -0.20 -3.62 0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1xpu s THR 314 CO -0.09 0.41 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.98 1xpu s ILE 315 N 0.29 1.43 -0.29 5.08 1.01 -0.06 -1.12 121.20 127.53 1xpu s ILE 315 Ca 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1xpu s ILE 315 Cb -0.13 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.03 1xpu s ILE 315 CO 0.04 0.43 0.00 -0.63 0.00 0.00 0.00 174.94 174.79 1xpu s ILE 316 N 1.39 3.21 0.10 2.92 1.09 -0.71 -0.41 121.20 128.80 1xpu s ILE 316 Ca 0.02 -1.11 0.09 0.00 -1.10 0.00 0.00 60.65 58.55 1xpu s ILE 316 Cb -0.13 -2.73 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 1xpu s ILE 316 CO -0.08 0.02 -0.19 0.00 -0.10 0.00 0.00 174.94 174.60 1xpu s ALA 317 N 1.34 2.64 -0.21 9.38 0.00 -0.66 -0.51 121.76 133.74 1xpu s ALA 317 Ca -0.02 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1xpu s ALA 317 Cb -0.18 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1xpu s ALA 317 CO -0.01 0.58 0.28 0.95 0.00 0.00 0.00 175.76 177.56 1xpu s THR 318 N -1.09 5.28 -0.36 0.00 -4.23 -0.38 0.26 115.64 115.13 1xpu s THR 318 Ca 0.17 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 1xpu s THR 318 Cb -0.10 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1xpu s THR 318 CO 0.09 0.31 0.25 0.00 -0.54 0.00 0.00 174.62 174.73 1xpu s ALA 319 N 1.08 3.48 0.36 3.99 0.00 -0.51 -1.64 121.76 128.52 1xpu s ALA 319 Ca 0.14 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 1xpu s ALA 319 Cb -0.14 -2.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 1xpu s ALA 319 CO 0.06 -1.11 1.20 -0.51 0.00 0.00 0.00 175.76 175.40 1xpu s LEU 320 N 1.70 4.33 0.07 0.00 1.43 -1.26 -2.71 118.68 122.24 1xpu s LEU 320 Ca 0.06 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1xpu s LEU 320 Cb -0.18 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1xpu s LEU 320 CO 0.10 -0.54 0.10 -0.63 0.23 0.00 0.00 176.35 175.60 1xpu s ILE 321 N -1.28 0.17 -2.00 -0.59 1.01 -0.77 -4.74 121.20 113.00 1xpu s ILE 321 Ca 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1xpu s ILE 321 Cb -0.34 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1xpu s ILE 321 CO 0.44 -0.76 0.00 0.47 0.00 0.00 0.00 174.94 175.08 1xpu n ASP 322 N 0.14 -5.52 0.24 3.58 8.00 -1.26 -3.85 116.55 117.88 1xpu n ASP 322 Ca -0.15 0.34 0.16 0.00 0.71 0.00 0.00 54.79 55.84 1xpu n ASP 322 Cb 0.61 -4.71 0.58 0.00 -0.02 0.00 0.00 41.12 37.58 1xpu n ASP 322 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1xpu h THR 323 N 0.00 0.00 0.00 -3.53 1.35 -1.95 -3.45 112.91 105.33 1xpu h THR 323 Ca -0.43 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1xpu h THR 323 Cb 1.32 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1xpu h THR 323 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1xpu n GLY 324 N 0.22 0.45 3.32 5.82 0.00 -1.26 -5.03 105.19 108.71 1xpu n GLY 324 Ca 0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1xpu n GLY 324 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpu s SER 325 N -2.44 4.10 0.20 1.61 0.15 -1.26 -5.02 113.70 111.04 1xpu s SER 325 Ca 0.00 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 1xpu s SER 325 Cb 0.00 -1.67 0.17 0.00 -1.71 0.00 0.00 66.02 62.82 1xpu s SER 325 CO 0.00 0.06 1.85 0.50 1.20 0.00 0.00 173.24 176.85 1xpu h LYS 326 N 7.49 0.82 -0.28 5.44 1.63 -1.96 -2.83 116.57 126.90 1xpu h LYS 326 Ca -0.36 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.43 1xpu h LYS 326 Cb 1.18 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.59 1xpu h LYS 326 CO 0.59 0.55 0.05 1.98 -3.45 0.00 0.00 179.45 179.17 1xpu h MET 327 N 0.85 0.15 -0.58 1.90 4.05 -1.93 -2.18 114.93 117.18 1xpu h MET 327 Ca 0.27 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.78 1xpu h MET 327 Cb 0.00 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1xpu h MET 327 CO -0.10 0.10 0.39 -0.44 0.23 0.00 0.00 176.91 177.09 1xpu h ASP 328 N 0.15 0.33 -0.13 1.39 3.32 -1.88 -1.47 116.42 118.13 1xpu h ASP 328 Ca 0.13 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.96 1xpu h ASP 328 Cb 0.13 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1xpu h ASP 328 CO -0.17 0.20 -0.81 -0.33 -1.72 0.00 0.00 179.24 176.41 1xpu h GLU 329 N 0.37 0.78 -0.33 3.56 4.39 -1.31 -2.92 114.58 119.11 1xpu h GLU 329 Ca 0.27 -0.66 -0.12 0.00 0.34 0.00 0.00 59.36 59.18 1xpu h GLU 329 Cb 0.58 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1xpu h GLU 329 CO -0.07 1.27 -0.29 0.28 -1.16 0.00 0.00 179.01 179.03 1xpu h VAL 330 N 0.51 1.28 -0.25 3.13 2.07 -0.92 -1.27 116.25 120.80 1xpu h VAL 330 Ca -0.06 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.08 1xpu h VAL 330 Cb 1.45 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1xpu h VAL 330 CO 0.17 0.46 -0.04 0.40 0.02 0.00 0.00 177.57 178.58 1xpu h ILE 331 N 0.59 0.78 -0.90 4.57 1.08 -1.34 -1.07 117.51 121.22 1xpu h ILE 331 Ca 0.07 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 1xpu h ILE 331 Cb 0.80 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 1xpu h ILE 331 CO 0.07 0.01 0.59 0.22 -0.69 0.00 0.00 178.15 178.34 1xpu h TYR 332 N 0.03 1.11 -0.34 1.37 3.20 -1.30 -2.55 116.97 118.50 1xpu h TYR 332 Ca 0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1xpu h TYR 332 Cb 0.17 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1xpu h TYR 332 CO -0.23 0.68 0.20 0.93 -1.64 0.00 0.00 178.16 178.10 1xpu h GLU 333 N 1.18 0.46 0.00 1.82 4.39 -0.67 0.30 114.58 122.06 1xpu h GLU 333 Ca 0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1xpu h GLU 333 Cb -0.08 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1xpu h GLU 333 CO -0.09 0.36 0.00 0.39 -1.16 0.00 0.00 179.01 178.51 1xpu n GLU 334 N -4.80 0.09 -0.01 2.33 -0.58 -0.46 -2.59 120.64 114.63 1xpu n GLU 334 Ca -0.01 0.28 0.08 0.00 -0.42 0.00 0.00 57.16 57.10 1xpu n GLU 334 Cb 0.06 -1.65 -0.12 0.00 -0.57 0.00 0.00 31.44 29.15 1xpu n GLU 334 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xpu n PHE 335 N -1.82 0.00 -1.66 -0.32 3.01 -0.81 -4.84 117.46 111.01 1xpu n PHE 335 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.04 1xpu n PHE 335 Cb 0.23 -0.26 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 1xpu n PHE 335 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xpu n LYS 336 N -1.86 2.45 -0.02 -1.08 5.02 0.10 -2.02 118.16 120.75 1xpu n LYS 336 Ca -0.01 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1xpu n LYS 336 Cb 0.39 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1xpu n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xpu n GLY 337 N 4.59 0.36 0.13 0.72 0.00 -1.26 -4.93 105.19 104.81 1xpu n GLY 337 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1xpu n GLY 337 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xpu h THR 338 N 0.00 0.54 -2.62 2.61 1.35 -1.73 -3.47 112.91 109.58 1xpu h THR 338 Ca 0.00 -1.84 -0.44 0.00 -0.55 0.00 0.00 66.41 63.58 1xpu h THR 338 Cb 0.00 2.14 0.05 0.00 -1.73 0.00 0.00 68.15 68.61 1xpu h THR 338 CO 0.00 0.31 0.00 -0.83 -0.25 0.00 0.00 175.52 174.75 1xpu s GLY 339 N -4.51 1.81 -0.13 5.82 0.00 -1.26 -5.02 107.32 104.03 1xpu s GLY 339 Ca 0.02 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 43.61 1xpu s GLY 339 CO 0.76 -0.99 1.15 1.16 0.00 0.00 0.00 173.10 175.18 1xpu n ASN 340 N -2.44 2.23 -3.62 1.64 0.23 -0.79 -4.99 115.26 107.52 1xpu n ASN 340 Ca 0.08 -3.12 -0.09 0.00 -0.53 0.00 0.00 54.58 50.92 1xpu n ASN 340 Cb 0.60 -0.43 -0.07 0.00 -2.08 0.00 0.00 39.78 37.80 1xpu n ASN 340 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xpu s MET 341 N -2.82 0.50 -0.08 -3.83 0.23 -1.23 -0.44 119.30 111.63 1xpu s MET 341 Ca 0.32 0.45 -0.05 0.00 -1.03 0.00 0.00 55.69 55.38 1xpu s MET 341 Cb 0.28 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.85 1xpu s MET 341 CO 0.02 -0.09 0.20 -1.83 -2.03 0.00 0.00 175.02 171.29 1xpu s GLU 342 N -0.13 0.19 -0.20 3.16 -1.05 -0.23 -0.67 118.70 119.77 1xpu s GLU 342 Ca 0.02 0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 55.20 1xpu s GLU 342 Cb -0.04 -0.02 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 1xpu s GLU 342 CO -0.05 -0.10 -0.13 -1.17 0.95 0.00 0.00 175.26 174.77 1xpu s LEU 343 N 0.68 2.55 -0.12 1.83 2.96 -0.81 -0.92 118.68 124.85 1xpu s LEU 343 Ca -0.05 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1xpu s LEU 343 Cb -0.06 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1xpu s LEU 343 CO -0.04 -0.03 0.38 -1.00 -1.32 0.00 0.00 176.35 174.35 1xpu s HIS 344 N 1.36 3.51 0.12 5.38 3.76 -1.26 0.15 115.29 128.31 1xpu s HIS 344 Ca 0.04 0.77 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1xpu s HIS 344 Cb -0.14 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1xpu s HIS 344 CO -0.08 0.26 0.23 -0.51 -0.85 0.00 0.00 174.74 173.79 1xpu s LEU 345 N 0.35 4.26 -0.04 0.89 1.43 0.17 0.77 118.68 126.50 1xpu s LEU 345 Ca 0.21 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1xpu s LEU 345 Cb -0.14 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 1xpu s LEU 345 CO 0.08 0.10 -0.18 -0.55 0.23 0.00 0.00 176.35 176.03 1xpu s SER 346 N -2.93 2.25 0.34 2.29 0.15 -1.26 -4.31 113.70 110.23 1xpu s SER 346 Ca 0.34 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 56.74 1xpu s SER 346 Cb -0.12 -0.62 0.60 0.00 -1.71 0.00 0.00 66.02 64.17 1xpu s SER 346 CO 0.27 0.16 1.75 -0.09 1.20 0.00 0.00 173.24 176.54 1xpu h ARG 347 N 6.23 0.00 -0.32 5.44 2.43 -1.93 -2.53 114.38 123.70 1xpu h ARG 347 Ca -0.33 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1xpu h ARG 347 Cb 1.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 1xpu h ARG 347 CO 0.48 0.46 0.07 0.87 -1.51 0.00 0.00 179.97 180.33 1xpu h LYS 348 N 0.00 0.18 0.00 0.20 1.57 -1.99 0.44 116.57 116.97 1xpu h LYS 348 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1xpu h LYS 348 Cb 0.81 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1xpu h LYS 348 CO 0.06 0.12 -0.64 0.82 -0.57 0.00 0.00 179.45 179.24 1xpu h ILE 349 N 0.18 1.38 -0.14 1.86 1.08 -1.89 -3.27 117.51 116.71 1xpu h ILE 349 Ca 0.15 -2.25 -0.14 0.00 -0.39 0.00 0.00 64.86 62.22 1xpu h ILE 349 Cb 0.16 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 1xpu h ILE 349 CO -0.19 0.63 -0.47 0.00 -0.69 0.00 0.00 178.15 177.43 1xpu h ALA 350 N 1.36 0.24 -0.44 1.87 0.00 -0.90 -1.36 119.26 120.04 1xpu h ALA 350 Ca -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1xpu h ALA 350 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1xpu h ALA 350 CO 0.08 0.40 0.29 0.93 0.00 0.00 0.00 179.25 180.95 1xpu h GLU 351 N 0.19 0.49 -0.68 0.00 4.39 -0.22 -1.38 114.58 117.37 1xpu h GLU 351 Ca -0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1xpu h GLU 351 Cb 1.09 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1xpu h GLU 351 CO 0.10 0.32 0.00 1.63 -1.16 0.00 0.00 179.01 179.90 1xpu n LYS 352 N -4.48 3.89 -3.88 2.33 4.76 -1.21 -4.95 118.16 114.63 1xpu n LYS 352 Ca 0.04 -2.37 -0.30 0.00 -2.87 0.00 0.00 58.31 52.81 1xpu n LYS 352 Cb 0.13 -2.06 -0.04 0.00 -1.84 0.00 0.00 35.03 31.23 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1xpu n ARG 353 N 0.51 -2.19 -2.76 1.97 1.74 -0.52 -4.92 116.66 110.49 1xpu n ARG 353 Ca 0.21 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 57.10 1xpu n ARG 353 Cb 0.95 -4.87 -0.04 0.00 -1.02 0.00 0.00 32.46 27.49 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xpu s VAL 354 N -2.97 4.13 0.11 1.55 1.01 -0.52 -4.94 120.40 118.76 1xpu s VAL 354 Ca 0.58 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 1xpu s VAL 354 Cb -0.33 -4.77 -0.10 0.00 0.00 0.00 0.00 36.38 31.18 1xpu s VAL 354 CO 0.72 -1.60 1.72 -0.26 0.00 0.00 0.00 175.10 175.68 1xpu h PHE 355 N 9.70 -0.09 0.00 5.22 0.04 -1.91 -3.21 116.94 126.69 1xpu h PHE 355 Ca -0.27 0.01 -0.34 0.00 2.80 0.00 0.00 57.97 60.17 1xpu h PHE 355 Cb 1.06 0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1xpu h PHE 355 CO 1.03 -0.06 2.04 -0.35 -0.60 0.00 0.00 178.31 180.36 1xpu n PRO 356 N -5.16 2.06 -2.95 1.51 -0.04 -1.26 -4.76 135.00 124.41 1xpu n PRO 356 Ca -0.05 -1.32 -0.44 0.00 -0.04 0.00 0.00 63.50 61.64 1xpu n PRO 356 Cb 0.09 -2.32 -0.01 0.00 -0.04 0.00 0.00 33.50 31.22 1xpu n PRO 356 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpu s ALA 357 N 2.80 3.76 -0.25 0.55 0.00 -1.21 -4.84 121.76 122.57 1xpu s ALA 357 Ca 0.44 -3.13 0.02 0.00 0.00 0.00 0.00 51.96 49.29 1xpu s ALA 357 Cb 0.14 -4.08 0.05 0.00 0.00 0.00 0.00 23.12 19.23 1xpu s ALA 357 CO -0.03 -2.84 -0.11 0.42 0.00 0.00 0.00 175.76 173.21 1xpu s ILE 358 N 1.95 2.31 -0.85 0.00 1.09 -1.26 -4.03 121.20 120.40 1xpu s ILE 358 Ca 0.38 -1.46 -0.26 0.00 -1.10 0.00 0.00 60.65 58.21 1xpu s ILE 358 Cb -0.04 -2.29 -0.15 0.00 -1.06 0.00 0.00 42.46 38.92 1xpu s ILE 358 CO -0.04 0.06 2.34 -0.62 -0.10 0.00 0.00 174.94 176.58 1xpu s ASP 359 N 1.16 3.82 0.34 3.58 -1.08 0.23 -4.75 116.67 119.97 1xpu s ASP 359 Ca -0.06 -0.18 0.07 0.00 -0.52 0.00 0.00 52.55 51.86 1xpu s ASP 359 Cb -0.19 -2.56 0.76 0.00 -1.46 0.00 0.00 42.92 39.47 1xpu s ASP 359 CO -0.06 -4.05 1.88 0.22 0.52 0.00 0.00 175.17 173.69 1xpu h TYR 360 N 12.42 0.86 0.00 -5.34 3.20 -1.92 -0.26 116.97 125.94 1xpu h TYR 360 Ca 0.01 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.72 1xpu h TYR 360 Cb 1.00 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1xpu h TYR 360 CO 1.13 0.35 -0.87 -0.91 -1.64 0.00 0.00 178.16 176.23 1xpu h ASN 361 N 0.76 0.03 0.55 -2.11 -0.26 -1.93 -3.22 115.58 109.40 1xpu h ASN 361 Ca 0.43 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.14 1xpu h ASN 361 Cb 0.59 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1xpu h ASN 361 CO -0.19 0.88 -0.59 -1.14 -1.06 0.00 0.00 177.43 175.33 1xpu n ARG 362 N -3.53 0.09 -2.18 0.81 0.63 -0.69 -4.90 116.66 106.88 1xpu n ARG 362 Ca -0.01 0.02 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1xpu n ARG 362 Cb 0.82 -1.54 0.08 0.00 0.45 0.00 0.00 32.46 32.27 1xpu n ARG 362 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1xpu s SER 363 N -3.33 4.69 0.00 6.15 0.01 -0.19 -4.63 113.70 116.40 1xpu s SER 363 Ca 0.09 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1xpu s SER 363 Cb 0.16 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1xpu s SER 363 CO 0.72 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1xpu n GLY 364 N -2.99 -0.62 3.35 3.44 0.00 -0.10 -4.88 105.19 103.39 1xpu n GLY 364 Ca 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1xpu n GLY 364 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xpu s THR 365 N -2.49 0.05 0.32 2.61 -1.32 -1.26 -1.07 115.64 112.47 1xpu s THR 365 Ca 0.00 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 59.87 1xpu s THR 365 Cb 0.00 -0.93 -0.10 0.00 -1.51 0.00 0.00 72.50 69.96 1xpu s THR 365 CO 0.00 -0.21 0.89 -0.13 -2.21 0.00 0.00 174.62 172.97 1xpu s ARG 366 N -2.30 4.44 -1.51 7.08 0.52 0.41 -3.86 118.95 123.74 1xpu s ARG 366 Ca -0.06 1.18 -0.07 0.00 -0.52 0.00 0.00 55.73 56.25 1xpu s ARG 366 Cb -0.01 -2.71 0.06 0.00 0.52 0.00 0.00 34.95 32.81 1xpu s ARG 366 CO -0.01 0.25 0.57 1.63 0.02 0.00 0.00 175.30 177.77 1xpu n LYS 367 N 0.38 -3.39 0.25 3.54 4.76 -1.26 -4.83 118.16 117.60 1xpu n LYS 367 Ca 0.02 0.40 0.17 0.00 -2.87 0.00 0.00 58.31 56.03 1xpu n LYS 367 Cb 0.51 -4.77 0.88 0.00 -1.84 0.00 0.00 35.03 29.80 1xpu n LYS 367 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1xpu h GLU 368 N -1.75 0.00 0.00 1.97 4.11 -1.96 -2.47 114.58 114.48 1xpu h GLU 368 Ca -0.61 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.69 1xpu h GLU 368 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1xpu h GLU 368 CO 0.68 0.00 -0.59 1.05 0.07 0.00 0.00 179.01 180.22 1xpu h GLU 369 N 0.00 0.00 0.00 1.06 9.09 -1.92 -3.23 114.58 119.57 1xpu h GLU 369 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1xpu h GLU 369 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1xpu h GLU 369 CO 0.00 0.59 -0.50 -0.07 0.05 0.00 0.00 179.01 179.08 1xpu h LEU 370 N 0.00 0.00 0.00 3.06 3.38 -1.74 -3.29 115.31 116.72 1xpu h LEU 370 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xpu h LEU 370 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xpu h LEU 370 CO 0.08 0.08 -0.31 -0.07 0.09 0.00 0.00 178.44 178.31 1xpu h LEU 371 N 0.00 0.00 0.00 1.67 3.38 -1.57 -3.41 115.31 115.38 1xpu h LEU 371 Ca -0.01 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 1xpu h LEU 371 Cb 1.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1xpu h LEU 371 CO 0.01 0.04 -0.33 0.35 0.09 0.00 0.00 178.44 178.60 1xpu n THR 372 N -2.33 0.00 -3.44 0.22 -2.24 -1.24 -4.66 114.28 100.59 1xpu n THR 372 Ca 0.04 -1.92 -0.20 0.00 -2.27 0.00 0.00 64.05 59.70 1xpu n THR 372 Cb 0.45 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1xpu n THR 372 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xpu s THR 373 N -2.42 4.33 0.62 4.28 -4.23 -1.26 -4.93 115.64 112.03 1xpu s THR 373 Ca 0.10 -0.85 0.30 0.00 -1.18 0.00 0.00 61.69 60.06 1xpu s THR 373 Cb -0.01 -3.53 0.35 0.00 1.34 0.00 0.00 72.50 70.65 1xpu s THR 373 CO 0.07 -0.25 1.99 1.56 -0.54 0.00 0.00 174.62 177.44 1xpu h GLN 374 N 0.82 0.00 0.23 3.99 4.20 -2.00 -1.47 115.11 120.87 1xpu h GLN 374 Ca -0.47 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1xpu h GLN 374 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1xpu h GLN 374 CO 0.56 0.00 -0.11 0.93 -0.67 0.00 0.00 178.83 179.54 1xpu h GLU 375 N 0.00 -0.30 -0.54 1.46 3.07 -2.00 -3.29 114.58 112.97 1xpu h GLU 375 Ca 0.10 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.06 1xpu h GLU 375 Cb 0.76 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.68 1xpu h GLU 375 CO -0.00 -0.20 0.18 1.49 -1.40 0.00 0.00 179.01 179.08 1xpu h GLU 376 N -0.52 0.33 -0.12 2.33 4.81 -1.69 -1.72 114.58 118.00 1xpu h GLU 376 Ca -0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xpu h GLU 376 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xpu h GLU 376 CO 0.05 0.22 0.04 1.25 -0.73 0.00 0.00 179.01 179.84 1xpu h LEU 377 N 0.34 0.04 -0.72 1.64 5.85 -1.51 0.51 115.31 121.46 1xpu h LEU 377 Ca 0.27 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1xpu h LEU 377 Cb 0.33 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1xpu h LEU 377 CO -0.29 0.04 -0.13 1.56 -0.34 0.00 0.00 178.44 179.28 1xpu h GLN 378 N 0.09 0.84 -0.64 1.25 4.20 -1.55 -0.38 115.11 118.93 1xpu h GLN 378 Ca 0.05 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1xpu h GLN 378 Cb 0.03 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1xpu h GLN 378 CO -0.06 0.93 0.10 1.57 -0.67 0.00 0.00 178.83 180.69 1xpu h LYS 379 N 0.76 1.05 -0.23 1.46 2.10 -1.15 -2.80 116.57 117.76 1xpu h LYS 379 Ca 0.12 -0.28 -0.08 0.00 -2.00 0.00 0.00 60.65 58.42 1xpu h LYS 379 Cb 0.64 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 1xpu h LYS 379 CO 0.04 0.97 -0.18 0.52 -2.00 0.00 0.00 179.45 178.80 1xpu h MET 380 N 0.98 0.41 0.00 0.07 2.86 -0.51 -2.93 114.93 115.82 1xpu h MET 380 Ca 0.20 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1xpu h MET 380 Cb 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1xpu h MET 380 CO 0.01 0.58 -0.20 -1.49 1.06 0.00 0.00 176.91 176.87 1xpu h TRP 381 N 0.37 0.00 -0.14 -0.22 -0.00 -0.80 -2.50 115.95 112.66 1xpu h TRP 381 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.82 1xpu h TRP 381 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 1xpu h TRP 381 CO 0.01 0.20 -0.42 0.82 -0.00 0.00 0.00 178.44 179.05 1xpu h ILE 382 N 0.00 1.35 -0.46 1.49 1.08 -1.44 -2.84 117.51 116.70 1xpu h ILE 382 Ca -0.00 -1.70 -0.03 0.00 -0.39 0.00 0.00 64.86 62.73 1xpu h ILE 382 Cb 0.39 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 1xpu h ILE 382 CO 0.03 0.52 0.16 0.25 -0.69 0.00 0.00 178.15 178.41 1xpu h LEU 383 N 0.16 0.60 -0.04 1.44 6.46 -1.48 -1.98 115.31 120.47 1xpu h LEU 383 Ca -0.01 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1xpu h LEU 383 Cb 1.04 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1xpu h LEU 383 CO 0.09 0.56 0.01 0.03 -0.62 0.00 0.00 178.44 178.51 1xpu h ARG 384 N 0.65 0.06 -0.94 1.25 3.08 -1.49 -1.40 114.38 115.59 1xpu h ARG 384 Ca 0.16 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 1xpu h ARG 384 Cb 0.17 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 1xpu h ARG 384 CO -0.01 0.29 0.61 0.87 -1.07 0.00 0.00 179.97 180.65 1xpu h LYS 385 N -0.17 0.99 0.07 0.04 1.57 -1.21 0.29 116.57 118.16 1xpu h LYS 385 Ca 0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xpu h LYS 385 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xpu h LYS 385 CO 0.00 0.66 -0.03 0.82 -0.57 0.00 0.00 179.45 180.32 1xpu h ILE 386 N 1.02 1.21 0.00 1.86 2.04 -1.33 -3.29 117.51 119.02 1xpu h ILE 386 Ca 0.42 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1xpu h ILE 386 Cb 0.29 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1xpu h ILE 386 CO -0.18 0.27 0.00 0.40 0.00 0.00 0.00 178.15 178.65 1xpu h ILE 387 N -0.63 0.00 0.07 -0.67 2.04 -0.98 -3.37 117.51 113.97 1xpu h ILE 387 Ca -0.01 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1xpu h ILE 387 Cb 0.52 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1xpu h ILE 387 CO 0.02 0.00 -0.53 -0.74 0.00 0.00 0.00 178.15 176.90 1xpu h HIS 388 N 0.00 -1.54 0.00 1.37 2.76 -0.49 -1.66 115.15 115.59 1xpu h HIS 388 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1xpu h HIS 388 Cb 0.61 0.66 0.00 0.00 1.55 0.00 0.00 27.41 30.24 1xpu h HIS 388 CO 0.00 -0.58 0.00 -2.30 -1.30 0.00 0.00 177.93 173.75 1xpu n PRO 389 N -5.43 0.04 -2.28 5.26 -0.02 -1.26 -4.81 135.00 126.51 1xpu n PRO 389 Ca -0.08 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 1xpu n PRO 389 Cb 0.40 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1xpu n PRO 389 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1xpu s MET 390 N -3.04 3.45 1.16 -0.52 -1.94 -0.63 -5.05 119.30 112.73 1xpu s MET 390 Ca 0.09 1.62 -0.19 0.00 -1.71 0.00 0.00 55.69 55.50 1xpu s MET 390 Cb 0.12 -2.07 0.28 0.00 2.01 0.00 0.00 34.83 35.17 1xpu s MET 390 CO 0.38 -0.78 1.19 0.20 -0.01 0.00 0.00 175.02 176.00 1xpu s GLY 391 N -1.72 1.66 0.01 -0.03 0.00 -1.26 -4.85 107.32 101.12 1xpu s GLY 391 Ca 0.71 -1.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 1xpu s GLY 391 CO 0.28 -0.23 0.88 0.83 0.00 0.00 0.00 173.10 174.85 1xpu h GLU 392 N -2.40 -0.41 -0.95 2.90 5.08 -1.96 -2.36 114.58 114.48 1xpu h GLU 392 Ca -0.43 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1xpu h GLU 392 Cb 1.26 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1xpu h GLU 392 CO 0.31 -0.27 0.63 0.82 -1.00 0.00 0.00 179.01 179.49 1xpu h ILE 393 N -0.56 1.23 -0.90 3.13 2.04 -1.95 -2.53 117.51 117.96 1xpu h ILE 393 Ca -0.04 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1xpu h ILE 393 Cb 0.33 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 1xpu h ILE 393 CO 0.07 0.23 0.56 0.44 0.00 0.00 0.00 178.15 179.45 1xpu h ASP 394 N 1.27 0.85 -0.31 1.72 3.32 -1.95 -3.00 116.42 118.31 1xpu h ASP 394 Ca 0.35 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1xpu h ASP 394 Cb -0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1xpu h ASP 394 CO -0.09 0.51 0.17 0.00 -1.72 0.00 0.00 179.24 178.12 1xpu h ALA 395 N 1.45 0.40 -0.00 3.45 0.00 -0.96 -0.99 119.26 122.60 1xpu h ALA 395 Ca 0.41 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.02 1xpu h ALA 395 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xpu h ALA 395 CO -0.21 -0.07 -0.94 0.52 0.00 0.00 0.00 179.25 178.55 1xpu h MET 396 N 0.39 0.43 -0.10 0.00 2.86 -1.59 -2.18 114.93 114.74 1xpu h MET 396 Ca 0.11 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.22 1xpu h MET 396 Cb 0.06 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1xpu h MET 396 CO -0.02 1.12 -0.23 0.93 1.06 0.00 0.00 176.91 179.77 1xpu h GLU 397 N 0.25 0.17 -0.40 1.72 5.08 -1.50 0.15 114.58 120.05 1xpu h GLU 397 Ca -0.08 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1xpu h GLU 397 Cb 1.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1xpu h GLU 397 CO 0.16 0.39 -0.19 0.35 -1.00 0.00 0.00 179.01 178.73 1xpu h PHE 398 N 0.15 0.86 0.00 4.33 3.57 -1.00 -3.15 116.94 121.70 1xpu h PHE 398 Ca 0.03 -0.18 -0.19 0.00 3.53 0.00 0.00 57.97 61.15 1xpu h PHE 398 Cb 0.50 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1xpu h PHE 398 CO 0.01 0.89 -0.96 -0.07 -2.23 0.00 0.00 178.31 175.94 1xpu h LEU 399 N 0.68 0.00 0.59 0.59 3.38 -0.97 -3.24 115.31 116.33 1xpu h LEU 399 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xpu h LEU 399 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1xpu h LEU 399 CO 0.05 0.88 -0.47 0.40 0.09 0.00 0.00 178.44 179.39 1xpu h ILE 400 N 0.00 0.08 -0.47 1.22 1.08 -0.67 -0.34 117.51 118.40 1xpu h ILE 400 Ca -0.04 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 1xpu h ILE 400 Cb 1.70 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1xpu h ILE 400 CO 0.11 0.00 -0.08 0.78 -0.69 0.00 0.00 178.15 178.26 1xpu h ASN 401 N -1.02 0.83 -0.27 1.72 2.35 -1.70 0.43 115.58 117.93 1xpu h ASN 401 Ca -0.07 -0.25 -0.15 0.00 -0.55 0.00 0.00 56.30 55.28 1xpu h ASN 401 Cb 0.86 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1xpu h ASN 401 CO 0.00 0.95 -0.39 0.11 -1.65 0.00 0.00 177.43 176.46 1xpu h LYS 402 N 0.77 0.81 0.00 0.81 1.79 -1.57 -3.18 116.57 116.00 1xpu h LYS 402 Ca 0.13 -0.42 -0.09 0.00 -2.18 0.00 0.00 60.65 58.09 1xpu h LYS 402 Cb 0.58 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1xpu h LYS 402 CO 0.04 1.05 -0.82 -0.07 -1.08 0.00 0.00 179.45 178.57 1xpu h LEU 403 N 0.66 0.00 -0.49 2.94 3.38 -0.89 -3.28 115.31 117.64 1xpu h LEU 403 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xpu h LEU 403 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xpu h LEU 403 CO 0.09 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1xpu n ALA 404 N -2.25 2.17 -0.12 1.53 0.00 0.15 -3.17 120.51 118.81 1xpu n ALA 404 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 1xpu n ALA 404 Cb 0.70 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1xpu n ALA 404 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xpu n MET 405 N -0.19 0.52 -0.60 0.00 2.81 -1.24 -5.01 117.12 113.41 1xpu n MET 405 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1xpu n MET 405 Cb 0.09 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1xpu n MET 405 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xpu n THR 406 N -3.99 0.00 0.00 2.03 -2.24 -1.19 -5.14 114.28 103.75 1xpu n THR 406 Ca -0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1xpu n THR 406 Cb 0.85 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1xpu n THR 406 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xpu n LYS 407 N 0.00 0.00 0.00 -0.78 4.76 -1.26 -4.94 118.16 115.93 1xpu n LYS 407 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xpu n LYS 407 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1xpu n LYS 407 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1xpu n THR 408 N 0.00 0.00 0.30 -0.18 5.66 -1.26 -4.65 114.28 114.15 1xpu n THR 408 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 1xpu n THR 408 Cb 0.00 -0.18 0.91 0.00 -1.55 0.00 0.00 70.33 69.51 1xpu n THR 408 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1xpu h ASN 409 N 0.00 0.00 -0.77 1.09 -1.07 -2.02 0.72 115.58 113.54 1xpu h ASN 409 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 56.30 56.46 1xpu h ASN 409 Cb 0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 1xpu h ASN 409 CO 0.00 0.00 0.42 -0.78 0.07 0.00 0.00 177.43 177.14 1xpu h ASP 410 N 0.00 0.58 -1.05 6.14 1.82 -1.98 -2.05 116.42 119.88 1xpu h ASP 410 Ca 0.00 0.05 0.30 0.00 -0.39 0.00 0.00 57.03 56.99 1xpu h ASP 410 Cb 0.18 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 1xpu h ASP 410 CO 0.00 0.34 0.74 -0.78 -1.61 0.00 0.00 179.24 177.93 1xpu h ASP 411 N 0.71 0.11 0.17 2.28 3.58 -1.11 0.51 116.42 122.67 1xpu h ASP 411 Ca 0.37 0.02 -0.35 0.00 0.42 0.00 0.00 57.03 57.49 1xpu h ASP 411 Cb 0.36 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1xpu h ASP 411 CO -0.25 0.02 -2.07 0.33 -2.88 0.00 0.00 179.24 174.39 1xpu n PHE 412 N -4.31 0.79 0.02 0.28 7.35 -0.81 -3.31 117.46 117.47 1xpu n PHE 412 Ca 0.23 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1xpu n PHE 412 Cb 1.06 -1.12 0.32 0.00 0.35 0.00 0.00 39.48 40.09 1xpu n PHE 412 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1xpu h PHE 413 N 0.03 0.50 -0.86 -5.13 3.57 -1.06 -2.55 116.94 111.44 1xpu h PHE 413 Ca -0.44 -0.05 -0.55 0.00 3.53 0.00 0.00 57.97 60.46 1xpu h PHE 413 Cb 2.03 -0.14 -0.25 0.00 2.79 0.00 0.00 35.95 40.37 1xpu h PHE 413 CO 0.04 0.50 0.72 0.39 -2.23 0.00 0.00 178.31 177.72 1xpu n GLU 414 N -4.29 2.37 0.00 1.11 -0.58 0.13 -3.73 120.64 115.66 1xpu n GLU 414 Ca 0.01 -2.77 0.00 0.00 -0.42 0.00 0.00 57.16 53.98 1xpu n GLU 414 Cb 0.24 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1xpu n GLU 414 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1xpu n MET 415 N -0.64 2.24 -0.81 3.49 1.56 -0.97 -4.83 117.12 117.16 1xpu n MET 415 Ca 0.53 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.76 1xpu n MET 415 Cb 0.81 -0.77 -0.05 0.00 2.15 0.00 0.00 33.22 35.36 1xpu n MET 415 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1xpu n MET 416 N -1.25 2.10 0.00 2.12 2.81 -1.14 -5.10 117.12 116.66 1xpu n MET 416 Ca 0.00 -1.32 0.09 0.00 -1.81 0.00 0.00 57.70 54.66 1xpu n MET 416 Cb 0.24 -2.30 0.54 0.00 -0.71 0.00 0.00 33.22 30.98 1xpu n MET 416 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11