#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 6.62 0.13 7.83 3.04 -1.26 -3.06 114.94 128.24 1xpu s ASN 2 Ca 0.00 2.04 -0.15 0.00 0.04 0.00 0.00 52.86 54.79 1xpu s ASN 2 Cb 0.00 -2.58 -0.01 0.00 -1.54 0.00 0.00 41.25 37.12 1xpu s ASN 2 CO 0.00 -0.59 1.62 0.25 -3.04 0.00 0.00 177.10 175.34 1xpu h LEU 3 N 2.27 0.63 -1.61 3.21 5.85 -1.03 -2.83 115.31 121.79 1xpu h LEU 3 Ca -0.49 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.06 1xpu h LEU 3 Cb 1.22 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1xpu h LEU 3 CO 0.61 0.71 0.36 0.74 -0.34 0.00 0.00 178.44 180.53 1xpu h THR 4 N 0.52 0.97 -0.67 1.05 2.02 -1.88 0.41 112.91 115.33 1xpu h THR 4 Ca 0.13 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1xpu h THR 4 Cb 0.34 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1xpu h THR 4 CO 0.00 0.09 0.17 -0.08 0.37 0.00 0.00 175.52 176.07 1xpu h GLU 5 N 0.47 1.07 0.09 6.66 4.81 -1.88 -1.09 114.58 124.71 1xpu h GLU 5 Ca 0.24 -0.25 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1xpu h GLU 5 Cb 0.34 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xpu h GLU 5 CO -0.07 0.95 -1.16 -0.07 -0.73 0.00 0.00 179.01 177.94 1xpu h LEU 6 N 1.00 0.42 -1.05 1.64 3.38 -1.03 -3.28 115.31 116.39 1xpu h LEU 6 Ca 0.21 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1xpu h LEU 6 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xpu h LEU 6 CO 0.00 1.29 -0.45 0.11 0.09 0.00 0.00 178.44 179.49 1xpu h LYS 7 N 0.10 0.00 -1.05 1.13 1.79 -0.20 -3.22 116.57 115.12 1xpu h LYS 7 Ca -0.11 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.72 1xpu h LYS 7 Cb 1.86 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 32.17 1xpu h LYS 7 CO 0.19 0.45 0.24 0.09 -1.08 0.00 0.00 179.45 179.33 1xpu n ASN 8 N -3.85 6.59 -4.25 0.86 3.02 -0.42 -4.96 115.26 112.26 1xpu n ASN 8 Ca -0.01 -3.78 -0.26 0.00 -0.03 0.00 0.00 54.58 50.50 1xpu n ASN 8 Cb 0.49 -0.74 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 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 -4.83 1.67 0.48 3.41 -4.23 -1.22 -4.96 115.64 105.96 1xpu s THR 9 Ca 0.58 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.73 1xpu s THR 9 Cb 0.46 -1.44 -0.08 0.00 1.34 0.00 0.00 72.50 72.79 1xpu s THR 9 CO -0.05 0.26 1.12 -2.65 -0.54 0.00 0.00 174.62 172.77 1xpu n PRO 10 N 2.00 1.45 0.14 3.99 -0.02 -1.26 -4.86 135.00 136.43 1xpu n PRO 10 Ca -0.17 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 61.90 1xpu n PRO 10 Cb 0.53 -2.25 0.52 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.42 1.07 -1.00 -1.45 2.07 -1.99 -2.21 116.25 114.16 1xpu h VAL 11 Ca -0.47 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1xpu h VAL 11 Cb 1.33 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1xpu h VAL 11 CO 0.56 0.08 0.66 0.28 0.02 0.00 0.00 177.57 179.17 1xpu h SER 12 N 0.25 1.14 0.79 0.57 0.02 -2.02 -2.81 113.55 111.50 1xpu h SER 12 Ca 0.07 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 1xpu h SER 12 Cb 0.03 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1xpu h SER 12 CO -0.01 0.83 -0.96 -0.33 -1.14 0.00 0.00 176.83 175.22 1xpu h GLU 13 N 1.35 0.09 -0.08 3.45 5.08 -1.77 -3.26 114.58 119.44 1xpu h GLU 13 Ca 0.37 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1xpu h GLU 13 Cb -0.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xpu h GLU 13 CO -0.08 0.97 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.47 1xpu h LEU 14 N 0.04 0.17 -0.13 1.33 3.38 -1.29 -2.39 115.31 116.41 1xpu h LEU 14 Ca -0.04 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1xpu h LEU 14 Cb 1.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1xpu h LEU 14 CO 0.14 0.52 -0.39 0.40 0.09 0.00 0.00 178.44 179.20 1xpu h ILE 15 N 0.14 1.36 -0.03 1.22 2.04 -1.56 -1.58 117.51 119.11 1xpu h ILE 15 Ca 0.02 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1xpu h ILE 15 Cb 0.71 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1xpu h ILE 15 CO 0.05 0.51 -0.12 0.71 0.00 0.00 0.00 178.15 179.30 1xpu h THR 16 N 0.11 1.10 -0.31 -0.27 1.35 -1.58 0.43 112.91 113.73 1xpu h THR 16 Ca -0.01 -0.48 -0.13 0.00 -0.55 0.00 0.00 66.41 65.24 1xpu h THR 16 Cb 1.01 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1xpu h THR 16 CO 0.08 0.14 -0.33 0.25 -0.25 0.00 0.00 175.52 175.41 1xpu h LEU 17 N 0.05 0.82 -0.68 3.87 6.46 -1.35 -2.56 115.31 121.92 1xpu h LEU 17 Ca 0.01 -0.48 -0.14 0.00 -0.12 0.00 0.00 57.88 57.15 1xpu h LEU 17 Cb 0.24 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1xpu h LEU 17 CO 0.02 1.13 -0.55 1.23 -0.62 0.00 0.00 178.44 179.65 1xpu h GLY 18 N 0.53 0.34 1.86 3.75 0.00 -0.49 -2.90 103.07 106.15 1xpu h GLY 18 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1xpu h GLY 18 CO 0.08 0.35 -0.20 -2.09 0.00 0.00 0.00 176.54 174.68 1xpu h GLU 19 N 0.24 0.17 -0.97 4.80 4.57 -0.18 -2.35 114.58 120.86 1xpu h GLU 19 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1xpu h GLU 19 Cb 1.04 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1xpu h GLU 19 CO 0.09 0.37 0.00 0.09 -1.18 0.00 0.00 179.01 178.39 1xpu n ASN 20 N -4.23 1.52 0.00 1.04 3.02 -0.97 -3.15 115.26 112.50 1xpu n ASN 20 Ca -0.01 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 1xpu n ASN 20 Cb 0.31 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1xpu n ASN 20 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1xpu n MET 21 N 0.07 0.46 -1.13 3.52 2.81 -0.90 -5.01 117.12 116.95 1xpu n MET 21 Ca 0.03 -0.57 -0.04 0.00 -1.81 0.00 0.00 57.70 55.30 1xpu n MET 21 Cb 0.35 -0.62 -0.02 0.00 -0.71 0.00 0.00 33.22 32.22 1xpu n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xpu n GLY 22 N -0.09 0.72 3.72 3.03 0.00 -1.19 -5.01 105.19 106.37 1xpu n GLY 22 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.99 4.44 0.36 0.99 1.43 -1.16 -5.01 118.68 118.75 1xpu s LEU 23 Ca 0.00 1.84 -0.27 0.00 -1.03 0.00 0.00 54.13 54.67 1xpu s LEU 23 Cb 0.00 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.52 1xpu s LEU 23 CO 0.00 -0.22 1.27 -0.62 0.23 0.00 0.00 176.35 177.01 1xpu n GLU 24 N 3.24 2.03 -1.59 1.70 -0.58 -1.26 -4.68 120.64 119.49 1xpu n GLU 24 Ca 0.05 0.71 -0.62 0.00 -0.42 0.00 0.00 57.16 56.88 1xpu n GLU 24 Cb 0.49 -2.32 -0.09 0.00 -0.57 0.00 0.00 31.44 28.95 1xpu n GLU 24 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xpu n ASN 25 N 0.64 0.99 -1.01 1.62 3.02 -1.26 -4.85 115.26 114.41 1xpu n ASN 25 Ca 0.05 1.10 0.09 0.00 -0.03 0.00 0.00 54.58 55.80 1xpu n ASN 25 Cb 0.37 -0.82 0.22 0.00 -0.61 0.00 0.00 39.78 38.94 1xpu n ASN 25 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xpu n LEU 26 N 3.43 3.37 -0.28 3.41 4.77 -1.26 -4.68 117.00 125.76 1xpu n LEU 26 Ca 0.28 -1.84 0.22 0.00 -0.03 0.00 0.00 56.01 54.63 1xpu n LEU 26 Cb -0.04 -0.32 0.53 0.00 -2.33 0.00 0.00 43.42 41.25 1xpu n LEU 26 CO 0.80 0.81 1.23 0.00 -1.33 0.00 0.00 177.39 178.90 1xpu h ALA 27 N 3.39 2.28 -0.66 -1.18 0.00 -1.97 -1.02 119.26 120.10 1xpu h ALA 27 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xpu h ALA 27 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xpu h ALA 27 CO 0.00 -0.61 0.00 0.54 0.00 0.00 0.00 179.25 179.18 1xpu n ARG 28 N -4.53 2.93 -2.48 0.00 1.74 -1.26 -4.95 116.66 108.11 1xpu n ARG 28 Ca 0.22 -2.62 -0.26 0.00 -0.77 0.00 0.00 57.85 54.42 1xpu n ARG 28 Cb 0.81 -1.59 0.03 0.00 -1.02 0.00 0.00 32.46 30.69 1xpu n ARG 28 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1xpu s MET 29 N -1.17 2.91 0.45 5.56 -1.94 -0.39 -5.08 119.30 119.64 1xpu s MET 29 Ca 0.46 -0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 54.13 1xpu s MET 29 Cb 0.25 -2.31 -0.09 0.00 2.01 0.00 0.00 34.83 34.68 1xpu s MET 29 CO 0.29 -0.66 1.01 1.03 -0.01 0.00 0.00 175.02 176.68 1xpu s ARG 30 N -4.93 4.02 0.25 2.03 0.52 -1.26 -4.93 118.95 114.64 1xpu s ARG 30 Ca 0.53 1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 57.02 1xpu s ARG 30 Cb -0.10 -2.22 0.49 0.00 0.52 0.00 0.00 34.95 33.64 1xpu s ARG 30 CO 0.44 -0.24 1.70 -0.22 0.02 0.00 0.00 175.30 177.00 1xpu h LYS 31 N 1.88 0.33 -0.71 3.54 3.64 -1.98 0.49 116.57 123.76 1xpu h LYS 31 Ca -0.49 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1xpu h LYS 31 Cb 1.21 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1xpu h LYS 31 CO 0.60 0.22 0.47 1.96 -2.27 0.00 0.00 179.45 180.43 1xpu h GLN 32 N 0.34 0.78 0.00 1.90 7.50 -2.01 -1.88 115.11 121.74 1xpu h GLN 32 Ca 0.43 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 59.48 1xpu h GLN 32 Cb 0.72 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1xpu h GLN 32 CO -0.48 0.52 -0.27 -0.44 -1.50 0.00 0.00 178.83 176.67 1xpu h ASP 33 N 0.81 0.00 0.06 1.46 3.32 -1.30 -3.01 116.42 117.75 1xpu h ASP 33 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1xpu h ASP 33 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xpu h ASP 33 CO -0.09 0.27 -0.03 0.40 -1.72 0.00 0.00 179.24 178.07 1xpu h ILE 34 N 0.00 1.22 -0.36 0.35 1.08 -0.77 -1.42 117.51 117.61 1xpu h ILE 34 Ca -0.00 -1.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 1xpu h ILE 34 Cb 0.93 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 1xpu h ILE 34 CO 0.03 0.25 0.12 0.40 -0.69 0.00 0.00 178.15 178.26 1xpu h ILE 35 N -0.53 0.89 -0.63 -0.67 5.03 -1.54 0.11 117.51 120.18 1xpu h ILE 35 Ca -0.01 -0.09 -0.03 0.00 -0.12 0.00 0.00 64.86 64.61 1xpu h ILE 35 Cb 0.46 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.82 1xpu h ILE 35 CO 0.01 0.05 0.29 0.15 -0.68 0.00 0.00 178.15 177.97 1xpu h PHE 36 N 0.27 0.89 -0.38 1.37 3.57 -1.59 0.12 116.94 121.19 1xpu h PHE 36 Ca 0.16 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 1xpu h PHE 36 Cb 0.14 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1xpu h PHE 36 CO -0.15 0.66 -0.30 0.00 -2.23 0.00 0.00 178.31 176.30 1xpu h ALA 37 N 1.43 0.76 -0.08 2.41 0.00 -0.46 -1.76 119.26 121.56 1xpu h ALA 37 Ca 0.22 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1xpu h ALA 37 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xpu h ALA 37 CO -0.03 0.66 -0.44 0.82 0.00 0.00 0.00 179.25 180.26 1xpu h ILE 38 N 0.69 1.39 -0.85 0.00 2.04 -0.53 -2.56 117.51 117.69 1xpu h ILE 38 Ca 0.08 -1.81 0.01 0.00 1.00 0.00 0.00 64.86 64.14 1xpu h ILE 38 Cb 0.84 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 1xpu h ILE 38 CO 0.07 0.53 0.56 -0.07 0.00 0.00 0.00 178.15 179.25 1xpu h LEU 39 N -0.00 0.97 -0.77 1.44 3.38 -0.77 0.69 115.31 120.24 1xpu h LEU 39 Ca -0.03 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1xpu h LEU 39 Cb 1.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1xpu h LEU 39 CO 0.09 0.70 -0.51 0.50 0.09 0.00 0.00 178.44 179.31 1xpu h LYS 40 N 1.14 0.27 0.00 1.13 3.64 -1.37 -2.50 116.57 118.88 1xpu h LYS 40 Ca 0.32 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 1xpu h LYS 40 Cb -0.11 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1xpu h LYS 40 CO -0.07 0.72 -0.93 1.96 -2.27 0.00 0.00 179.45 178.86 1xpu h GLN 41 N 0.22 0.00 -0.46 1.90 1.08 -0.90 -3.09 115.11 113.86 1xpu h GLN 41 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1xpu h GLN 41 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1xpu h GLN 41 CO 0.08 0.93 0.00 1.58 -0.95 0.00 0.00 178.83 180.47 1xpu n HIS 42 N -3.38 0.43 -0.42 2.96 -0.00 0.23 -4.06 115.22 110.99 1xpu n HIS 42 Ca 0.00 -0.18 -0.13 0.00 0.46 0.00 0.00 57.72 57.87 1xpu n HIS 42 Cb 0.90 -0.08 0.13 0.00 -0.12 0.00 0.00 29.99 30.82 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 0.18 4.38 0.11 1.57 0.00 -0.95 -4.10 120.51 121.70 1xpu n ALA 43 Ca 0.08 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1xpu n ALA 43 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1xpu n ALA 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpu n LYS 44 N -0.45 0.00 -4.14 0.00 5.02 -1.26 -4.96 118.16 112.37 1xpu n LYS 44 Ca 0.36 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.31 1xpu n LYS 44 Cb 1.22 -0.19 -0.10 0.00 -0.02 0.00 0.00 35.03 35.93 1xpu n LYS 44 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xpu s SER 45 N -5.38 5.40 0.00 4.39 1.04 -1.26 -4.61 113.70 113.27 1xpu s SER 45 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1xpu s SER 45 Cb 0.00 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1xpu s SER 45 CO 0.00 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1xpu n GLY 46 N 3.36 2.04 2.51 7.32 0.00 -1.26 -4.84 105.19 114.32 1xpu n GLY 46 Ca -0.17 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.48 -0.11 1.61 1.02 -1.26 -4.87 120.64 115.55 1xpu n GLU 47 Ca 0.00 1.13 -0.19 0.00 -0.02 0.00 0.00 57.16 58.08 1xpu n GLU 47 Cb 0.00 -5.59 -0.07 0.00 -0.02 0.00 0.00 31.44 25.76 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 -1.49 1.91 -3.16 1.62 8.00 -1.26 -5.07 116.55 117.11 1xpu n ASP 48 Ca -0.22 0.40 -0.06 0.00 0.71 0.00 0.00 54.79 55.63 1xpu n ASP 48 Cb 0.67 -0.84 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1xpu n ASP 48 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xpu n ILE 49 N -4.40 -2.20 -3.50 0.53 2.08 -1.26 -4.42 119.36 106.18 1xpu n ILE 49 Ca -0.32 0.42 -0.33 0.00 0.56 0.00 0.00 62.75 63.09 1xpu n ILE 49 Cb 0.65 -2.98 -0.05 0.00 -0.75 0.00 0.00 39.64 36.51 1xpu n ILE 49 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1xpu s PHE 50 N -1.03 3.49 -0.08 1.39 0.08 -1.17 -0.69 117.98 119.97 1xpu s PHE 50 Ca 0.06 0.80 -0.16 0.00 0.12 0.00 0.00 56.93 57.75 1xpu s PHE 50 Cb -0.01 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1xpu s PHE 50 CO 0.13 0.38 0.38 0.20 -0.10 0.00 0.00 175.22 176.21 1xpu s GLY 51 N -2.18 -0.26 0.04 4.36 0.00 0.30 -0.30 107.32 109.29 1xpu s GLY 51 Ca 0.42 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.89 1xpu s GLY 51 CO 0.21 0.57 0.00 0.51 0.00 0.00 0.00 173.10 174.39 1xpu s ASP 52 N -0.65 0.32 0.00 1.64 -4.77 -1.26 -1.96 116.67 110.00 1xpu s ASP 52 Ca -0.07 -0.71 0.00 0.00 -3.30 0.00 0.00 52.55 48.47 1xpu s ASP 52 Cb -0.04 0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.96 1xpu s ASP 52 CO 0.03 -0.47 0.00 0.61 0.70 0.00 0.00 175.17 176.04 1xpu n GLY 53 N 0.79 0.81 3.71 2.12 0.00 -0.89 -4.83 105.19 106.91 1xpu n GLY 53 Ca -0.19 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 4.82 -0.25 1.61 1.01 -0.32 -2.48 120.40 122.79 1xpu s VAL 54 Ca 0.00 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 1xpu s VAL 54 Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xpu s VAL 54 CO 0.00 0.20 1.09 -0.22 0.00 0.00 0.00 175.10 176.17 1xpu s LEU 55 N 0.81 4.05 -0.23 3.92 2.96 -0.10 -0.66 118.68 129.44 1xpu s LEU 55 Ca 0.50 1.32 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 1xpu s LEU 55 Cb -0.21 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1xpu s LEU 55 CO 0.28 -0.76 0.05 -0.70 -1.32 0.00 0.00 176.35 173.89 1xpu s GLU 56 N 3.41 3.67 -0.24 1.98 2.12 0.01 -0.95 118.70 128.70 1xpu s GLU 56 Ca 0.46 -0.48 -0.10 0.00 0.36 0.00 0.00 54.97 55.22 1xpu s GLU 56 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1xpu s GLU 56 CO 0.11 -0.09 0.13 0.42 -0.54 0.00 0.00 175.26 175.29 1xpu s ILE 57 N 1.33 5.04 0.79 -3.70 1.01 -1.26 -0.28 121.20 124.13 1xpu s ILE 57 Ca 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 1xpu s ILE 57 Cb -0.15 -3.36 0.11 0.00 0.01 0.00 0.00 42.46 39.08 1xpu s ILE 57 CO 0.03 0.34 1.12 -0.22 0.00 0.00 0.00 174.94 176.20 1xpu s LEU 58 N 1.26 2.77 0.42 2.97 2.96 -0.00 -4.97 118.68 124.09 1xpu s LEU 58 Ca 0.06 0.33 0.11 0.00 -0.22 0.00 0.00 54.13 54.41 1xpu s LEU 58 Cb -0.14 -2.75 0.95 0.00 0.50 0.00 0.00 46.19 44.75 1xpu s LEU 58 CO 0.05 -1.98 2.01 -0.61 -1.32 0.00 0.00 176.35 174.50 1xpu h GLN 59 N -0.93 0.46 0.00 1.98 5.75 -1.99 -2.93 115.11 117.45 1xpu h GLN 59 Ca -0.43 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 1xpu h GLN 59 Cb 1.29 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 1xpu h GLN 59 CO 0.52 0.31 -0.30 -0.44 -2.65 0.00 0.00 178.83 176.27 1xpu h ASP 60 N 0.48 0.00 0.00 -0.69 3.32 -2.04 -3.46 116.42 114.02 1xpu h ASP 60 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1xpu h ASP 60 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xpu h ASP 60 CO -0.06 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 1xpu n GLY 61 N -0.54 1.30 3.96 2.75 0.00 -1.10 -5.13 105.19 106.42 1xpu n GLY 61 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.16 2.48 0.21 1.61 -0.12 -1.26 -4.45 117.98 115.29 1xpu s PHE 62 Ca 0.00 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1xpu s PHE 62 Cb 0.00 -2.26 -0.05 0.00 -0.63 0.00 0.00 43.02 40.09 1xpu s PHE 62 CO 0.00 -0.45 0.08 0.20 -0.05 0.00 0.00 175.22 175.00 1xpu s GLY 63 N -4.33 1.46 0.08 1.99 0.00 -0.62 -0.82 107.32 105.09 1xpu s GLY 63 Ca 0.53 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.59 1xpu s GLY 63 CO 0.32 -1.51 -0.15 -1.36 0.00 0.00 0.00 173.10 170.39 1xpu s PHE 64 N -3.86 1.34 -0.67 1.90 0.08 0.61 -0.08 117.98 117.30 1xpu s PHE 64 Ca 0.33 -0.47 -0.19 0.00 0.12 0.00 0.00 56.93 56.73 1xpu s PHE 64 Cb 0.07 -0.74 0.11 0.00 -0.57 0.00 0.00 43.02 41.89 1xpu s PHE 64 CO 0.10 0.09 0.81 -0.51 -0.10 0.00 0.00 175.22 175.61 1xpu s LEU 65 N -1.86 5.32 0.40 -0.37 1.43 0.15 -0.81 118.68 122.94 1xpu s LEU 65 Ca 0.01 -1.57 -0.23 0.00 -1.03 0.00 0.00 54.13 51.31 1xpu s LEU 65 Cb -0.09 -2.32 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 1xpu s LEU 65 CO 0.03 -1.11 0.95 -0.13 0.23 0.00 0.00 176.35 176.32 1xpu s ARG 66 N 2.66 4.33 -0.00 1.70 1.81 0.17 -3.26 118.95 126.36 1xpu s ARG 66 Ca 0.16 1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 55.20 1xpu s ARG 66 Cb -0.19 -2.37 -0.06 0.00 -0.45 0.00 0.00 34.95 31.88 1xpu s ARG 66 CO 0.03 0.05 0.49 0.45 -0.68 0.00 0.00 175.30 175.65 1xpu s SER 67 N -1.99 6.88 0.21 0.23 0.15 -1.26 -1.17 113.70 116.74 1xpu s SER 67 Ca 0.58 1.05 0.06 0.00 0.70 0.00 0.00 55.95 58.33 1xpu s SER 67 Cb -0.12 -2.30 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 1xpu s SER 67 CO 0.17 0.22 1.48 0.00 1.20 0.00 0.00 173.24 176.31 1xpu h ALA 68 N 5.19 0.72 0.00 5.45 0.00 -1.95 0.78 119.26 129.45 1xpu h ALA 68 Ca -0.48 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1xpu h ALA 68 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xpu h ALA 68 CO 0.66 0.85 0.00 0.38 0.00 0.00 0.00 179.25 181.14 1xpu h ASP 69 N 0.09 0.00 -0.33 0.00 2.03 -1.94 -2.54 116.42 113.72 1xpu h ASP 69 Ca -0.02 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.27 1xpu h ASP 69 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 1xpu h ASP 69 CO 0.11 0.00 0.01 -1.20 -1.03 0.00 0.00 179.24 177.12 1xpu n SER 70 N -2.68 4.20 -3.39 4.15 7.64 -1.21 -4.96 113.62 117.37 1xpu n SER 70 Ca 0.02 -3.04 -0.25 0.00 1.01 0.00 0.00 58.87 56.62 1xpu n SER 70 Cb 0.32 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1xpu n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xpu n SER 71 N -0.33 -5.10 -2.19 6.43 7.64 -0.96 -2.36 113.62 116.75 1xpu n SER 71 Ca 0.24 -0.46 -0.19 0.00 1.01 0.00 0.00 58.87 59.46 1xpu n SER 71 Cb 0.97 -4.12 -0.01 0.00 -1.01 0.00 0.00 64.21 60.04 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 -0.89 -2.35 1.43 4.01 0.26 -4.83 117.16 110.36 1xpu n TYR 72 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 1xpu n TYR 72 Cb 0.57 -3.74 -0.03 0.00 -0.31 0.00 0.00 39.34 35.82 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 -5.53 4.48 -0.18 7.72 2.96 -1.00 -4.84 118.68 122.30 1xpu s LEU 73 Ca 0.00 2.35 -0.29 0.00 -0.22 0.00 0.00 54.13 55.97 1xpu s LEU 73 Cb 0.00 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1xpu s LEU 73 CO 0.00 -0.32 2.03 0.00 -1.32 0.00 0.00 176.35 176.74 1xpu s ALA 74 N -0.69 2.99 0.27 5.97 0.00 -1.26 -4.70 121.76 124.34 1xpu s ALA 74 Ca 0.49 0.79 0.11 0.00 0.00 0.00 0.00 51.96 53.34 1xpu s ALA 74 Cb -0.34 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 1xpu s ALA 74 CO 0.42 -2.41 -0.18 0.20 0.00 0.00 0.00 175.76 173.79 1xpu s GLY 75 N 6.67 1.82 0.33 0.00 0.00 -1.26 -5.03 107.32 109.86 1xpu s GLY 75 Ca 0.92 -1.86 0.26 0.00 0.00 0.00 0.00 44.72 44.04 1xpu s GLY 75 CO 0.35 -1.93 1.77 -0.56 0.00 0.00 0.00 173.10 172.74 1xpu h PRO 76 N 2.31 0.00 -0.53 2.90 0.13 -1.94 -2.68 132.00 132.19 1xpu h PRO 76 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1xpu h PRO 76 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xpu h PRO 76 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1xpu n ASP 77 N -2.41 4.72 -4.72 1.44 3.85 -1.26 -4.67 116.55 113.49 1xpu n ASP 77 Ca 0.01 -2.66 -0.41 0.00 -0.71 0.00 0.00 54.79 51.02 1xpu n ASP 77 Cb 0.20 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.36 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 -1.09 7.45 -0.06 -1.12 1.01 -1.01 -4.94 116.67 116.90 1xpu s ASP 78 Ca 0.48 1.75 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 1xpu s ASP 78 Cb 0.34 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1xpu s ASP 78 CO 0.18 -0.14 1.05 -0.63 0.21 0.00 0.00 175.17 175.84 1xpu s ILE 79 N 0.37 4.65 0.12 0.77 1.09 -1.20 -4.40 121.20 122.60 1xpu s ILE 79 Ca 0.49 1.92 -0.30 0.00 -1.10 0.00 0.00 60.65 61.65 1xpu s ILE 79 Cb -0.23 -4.23 -0.07 0.00 -1.06 0.00 0.00 42.46 36.88 1xpu s ILE 79 CO 0.29 0.05 1.16 -0.47 -0.10 0.00 0.00 174.94 175.87 1xpu s TYR 80 N 1.75 3.49 -0.21 3.97 5.04 0.18 0.29 117.35 131.86 1xpu s TYR 80 Ca 0.51 1.43 0.01 0.00 -2.44 0.00 0.00 57.07 56.59 1xpu s TYR 80 Cb -0.21 -3.37 0.03 0.00 0.35 0.00 0.00 41.96 38.76 1xpu s TYR 80 CO 0.22 -1.01 -0.16 0.08 -1.34 0.00 0.00 175.55 173.34 1xpu s VAL 81 N 0.41 2.20 0.43 3.14 1.01 0.88 -1.57 120.40 126.89 1xpu s VAL 81 Ca 0.54 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1xpu s VAL 81 Cb -0.30 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 1xpu s VAL 81 CO 0.33 0.35 1.10 -0.94 0.00 0.00 0.00 175.10 175.93 1xpu s SER 82 N 1.24 6.49 0.63 3.32 1.04 -1.26 -1.58 113.70 123.58 1xpu s SER 82 Ca 0.01 2.16 0.29 0.00 0.48 0.00 0.00 55.95 58.88 1xpu s SER 82 Cb -0.15 -2.59 1.52 0.00 0.10 0.00 0.00 66.02 64.90 1xpu s SER 82 CO -0.10 -0.69 1.89 -0.65 0.98 0.00 0.00 173.24 174.67 1xpu h PRO 83 N 2.27 0.00 -0.11 4.02 0.11 -1.95 -1.00 132.00 135.33 1xpu h PRO 83 Ca -0.49 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1xpu h PRO 83 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xpu h PRO 83 CO 0.61 0.00 -0.20 0.77 -0.21 0.00 0.00 178.00 178.97 1xpu h SER 84 N 0.00 0.37 0.17 -2.05 0.02 -1.93 0.32 113.55 110.45 1xpu h SER 84 Ca 0.09 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1xpu h SER 84 Cb 0.90 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xpu h SER 84 CO -0.00 0.85 -0.17 1.56 -1.14 0.00 0.00 176.83 177.93 1xpu h GLN 85 N -0.09 0.00 -0.15 3.45 4.20 -1.57 0.56 115.11 121.51 1xpu h GLN 85 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1xpu h GLN 85 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1xpu h GLN 85 CO 0.05 0.17 -0.14 0.82 -0.67 0.00 0.00 178.83 179.05 1xpu h ILE 86 N 0.00 1.34 -0.09 2.54 2.04 -1.35 -3.23 117.51 118.76 1xpu h ILE 86 Ca -0.00 -1.29 -0.16 0.00 1.00 0.00 0.00 64.86 64.41 1xpu h ILE 86 Cb 0.30 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1xpu h ILE 86 CO 0.02 0.38 -0.63 0.03 0.00 0.00 0.00 178.15 177.95 1xpu h ARG 87 N 0.00 0.35 0.32 2.37 3.08 -0.19 0.59 114.38 120.89 1xpu h ARG 87 Ca 0.03 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1xpu h ARG 87 Cb 0.67 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1xpu h ARG 87 CO 0.04 0.86 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.56 1xpu h ARG 88 N 0.25 -0.41 -0.63 0.04 9.65 0.01 -2.97 114.38 120.32 1xpu h ARG 88 Ca -0.01 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1xpu h ARG 88 Cb 1.16 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1xpu h ARG 88 CO 0.10 -0.20 0.00 1.19 2.80 0.00 0.00 179.97 183.87 1xpu n PHE 89 N -5.22 1.63 -3.97 2.20 3.72 -1.22 -4.97 117.46 109.63 1xpu n PHE 89 Ca -0.10 -0.65 -0.40 0.00 -0.05 0.00 0.00 57.45 56.26 1xpu n PHE 89 Cb 0.22 -0.31 0.02 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.98 -4.45 -4.79 4.37 4.05 -0.50 -4.92 115.26 109.99 1xpu n ASN 90 Ca 0.26 -1.18 -0.36 0.00 0.45 0.00 0.00 54.58 53.75 1xpu n ASN 90 Cb 0.97 -1.81 -0.06 0.00 1.23 0.00 0.00 39.78 40.11 1xpu n ASN 90 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1xpu s LEU 91 N -6.69 4.23 0.06 1.20 1.43 0.19 -5.00 118.68 114.10 1xpu s LEU 91 Ca 0.35 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.38 1xpu s LEU 91 Cb -0.19 -4.14 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1xpu s LEU 91 CO 0.94 -0.21 -0.20 -0.13 0.23 0.00 0.00 176.35 176.99 1xpu s ARG 92 N -2.35 1.23 -0.27 1.70 0.52 -1.26 -4.89 118.95 113.64 1xpu s ARG 92 Ca 0.54 -0.99 -0.31 0.00 -0.52 0.00 0.00 55.73 54.45 1xpu s ARG 92 Cb -0.18 -1.37 -0.08 0.00 0.52 0.00 0.00 34.95 33.84 1xpu s ARG 92 CO 0.23 0.34 2.20 -2.37 0.02 0.00 0.00 175.30 175.71 1xpu n THR 93 N 1.60 0.29 0.00 0.02 5.66 -1.26 -2.21 114.28 118.38 1xpu n THR 93 Ca -0.18 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 1xpu n THR 93 Cb 0.54 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 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 6.06 -0.02 3.83 1.09 0.00 -0.13 -4.70 105.19 111.33 1xpu n GLY 94 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 6.59 -0.43 1.61 1.01 -0.94 -3.97 116.67 120.52 1xpu s ASP 95 Ca 0.00 1.62 -0.09 0.00 0.71 0.00 0.00 52.55 54.79 1xpu s ASP 95 Cb 0.00 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.50 1xpu s ASP 95 CO 0.00 -0.61 0.28 -0.89 0.21 0.00 0.00 175.17 174.16 1xpu s THR 96 N -2.52 4.16 -0.06 -1.27 2.01 -1.26 -0.92 115.64 115.77 1xpu s THR 96 Ca 0.60 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1xpu s THR 96 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1xpu s THR 96 CO 0.29 -0.58 0.09 -0.63 -0.69 0.00 0.00 174.62 173.10 1xpu s ILE 97 N 1.39 4.95 0.15 1.82 1.09 -1.03 -1.35 121.20 128.22 1xpu s ILE 97 Ca 0.04 -0.14 0.02 0.00 -1.10 0.00 0.00 60.65 59.47 1xpu s ILE 97 Cb -0.24 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.93 1xpu s ILE 97 CO 0.01 0.50 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.87 1xpu s SER 98 N -1.31 1.33 0.00 3.58 0.01 -0.82 -2.09 113.70 114.39 1xpu s SER 98 Ca 0.18 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1xpu s SER 98 Cb -0.12 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1xpu s SER 98 CO 0.08 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1xpu n GLY 99 N -0.18 0.66 3.77 3.44 0.00 -0.83 -1.11 105.19 110.94 1xpu n GLY 99 Ca -0.09 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.84 4.34 -0.06 1.61 1.02 -1.20 -0.54 119.74 123.07 1xpu s LYS 100 Ca 0.00 1.95 0.03 0.00 0.02 0.00 0.00 55.97 57.97 1xpu s LYS 100 Cb 0.00 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1xpu s LYS 100 CO 0.00 -0.11 -0.14 0.96 -0.92 0.00 0.00 175.35 175.14 1xpu s ILE 101 N -1.25 1.23 0.14 2.17 -4.36 0.13 -0.25 121.20 119.02 1xpu s ILE 101 Ca 0.50 -0.55 -0.04 0.00 -0.26 0.00 0.00 60.65 60.30 1xpu s ILE 101 Cb -0.34 -1.10 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1xpu s ILE 101 CO 0.44 0.37 0.37 0.00 0.24 0.00 0.00 174.94 176.36 1xpu s ARG 102 N 0.48 3.61 0.69 0.37 1.70 0.14 -4.73 118.95 121.21 1xpu s ARG 102 Ca -0.12 -0.11 -0.13 0.00 -0.47 0.00 0.00 55.73 54.90 1xpu s ARG 102 Cb -0.14 -2.85 0.02 0.00 -0.57 0.00 0.00 34.95 31.40 1xpu s ARG 102 CO 0.04 0.47 1.10 -2.14 -1.08 0.00 0.00 175.30 173.69 1xpu s PRO 103 N -2.68 2.66 0.21 3.89 0.02 -1.26 -1.23 135.00 136.61 1xpu s PRO 103 Ca 0.41 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 1xpu s PRO 103 Cb -0.12 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1xpu s PRO 103 CO 0.25 -1.35 1.07 -2.14 -0.33 0.00 0.00 177.00 174.50 1xpu s PRO 104 N -4.38 4.64 0.24 5.54 0.02 -1.26 -4.75 135.00 135.05 1xpu s PRO 104 Ca 0.65 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 1xpu s PRO 104 Cb -0.19 -3.26 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 1xpu s PRO 104 CO 0.46 0.17 1.06 0.15 -0.33 0.00 0.00 177.00 178.51 1xpu s LYS 105 N -0.71 4.68 -0.43 5.54 3.01 -1.26 -4.88 119.74 125.69 1xpu s LYS 105 Ca 0.47 1.70 -0.44 0.00 -1.01 0.00 0.00 55.97 56.69 1xpu s LYS 105 Cb -0.29 -3.24 -0.18 0.00 -1.01 0.00 0.00 37.83 33.10 1xpu s LYS 105 CO 0.36 0.24 1.73 -0.85 0.51 0.00 0.00 175.35 177.34 1xpu n GLU 106 N 1.65 0.39 0.00 1.68 0.28 -1.26 -0.61 120.64 122.77 1xpu n GLU 106 Ca -0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1xpu n GLU 106 Cb 0.46 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1xpu n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xpu n GLY 107 N 4.56 1.08 3.92 -1.84 0.00 -1.26 -5.11 105.19 106.54 1xpu n GLY 107 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1xpu n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xpu s GLU 108 N -0.25 2.24 0.00 1.61 2.02 0.22 -5.10 118.70 119.45 1xpu s GLU 108 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1xpu s GLU 108 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1xpu s GLU 108 CO 0.00 -0.69 0.00 -2.13 0.02 0.00 0.00 175.26 172.46 1xpu n ARG 109 N -1.84 0.00 -4.09 1.61 0.63 -1.26 -4.91 116.66 106.79 1xpu n ARG 109 Ca -0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1xpu n ARG 109 Cb 0.64 -0.53 -0.07 0.00 0.45 0.00 0.00 32.46 32.95 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 -1.93 3.08 0.30 -0.14 2.02 -1.26 -4.90 117.35 114.53 1xpu s TYR 110 Ca 0.00 0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 56.42 1xpu s TYR 110 Cb 0.00 -1.57 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 1xpu s TYR 110 CO 0.00 0.50 1.52 -0.06 -1.57 0.00 0.00 175.55 175.94 1xpu s PHE 111 N -1.35 2.79 0.02 2.71 0.08 -1.26 -4.30 117.98 116.65 1xpu s PHE 111 Ca 0.27 0.95 0.03 0.00 0.12 0.00 0.00 56.93 58.30 1xpu s PHE 111 Cb -0.12 -3.99 -0.04 0.00 -0.57 0.00 0.00 43.02 38.31 1xpu s PHE 111 CO 0.20 -3.18 -0.04 0.00 -0.10 0.00 0.00 175.22 172.10 1xpu s ALA 112 N -0.31 3.13 -0.02 5.36 0.00 -0.36 0.50 121.76 130.07 1xpu s ALA 112 Ca 0.59 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1xpu s ALA 112 Cb -0.46 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 1xpu s ALA 112 CO 0.51 0.64 1.60 -1.17 0.00 0.00 0.00 175.76 177.34 1xpu s LEU 113 N -1.60 4.33 -0.16 0.00 2.96 -0.61 0.26 118.68 123.86 1xpu s LEU 113 Ca 0.19 2.27 -0.19 0.00 -0.22 0.00 0.00 54.13 56.18 1xpu s LEU 113 Cb -0.11 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.80 1xpu s LEU 113 CO 0.10 -0.88 0.41 0.25 -1.32 0.00 0.00 176.35 174.91 1xpu h LEU 114 N 9.49 0.17 -7.49 -0.68 5.85 -0.95 -3.45 115.31 118.25 1xpu h LEU 114 Ca -0.40 -0.73 -0.24 0.00 0.84 0.00 0.00 57.88 57.36 1xpu h LEU 114 Cb 1.18 -0.06 -0.30 0.00 0.37 0.00 0.00 40.66 41.85 1xpu h LEU 114 CO 0.94 1.52 -0.61 -0.75 -0.34 0.00 0.00 178.44 179.20 1xpu s LYS 115 N -2.41 0.09 -0.71 1.25 2.20 -1.06 -5.00 119.74 114.11 1xpu s LYS 115 Ca -0.24 0.29 -0.21 0.00 -0.36 0.00 0.00 55.97 55.45 1xpu s LYS 115 Cb 0.04 -0.11 0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1xpu s LYS 115 CO 0.68 -0.12 0.96 0.08 -0.36 0.00 0.00 175.35 176.59 1xpu s VAL 116 N 0.83 4.48 -0.11 4.02 1.01 -1.26 -3.24 120.40 126.13 1xpu s VAL 116 Ca -0.06 -0.72 0.16 0.00 0.00 0.00 0.00 61.98 61.36 1xpu s VAL 116 Cb -0.08 -4.68 -0.15 0.00 0.00 0.00 0.00 36.38 31.46 1xpu s VAL 116 CO -0.04 -1.42 0.80 0.59 0.00 0.00 0.00 175.10 175.03 1xpu n ASN 117 N 7.26 0.88 -3.82 3.32 3.02 -0.27 -4.83 115.26 120.82 1xpu n ASN 117 Ca 0.01 0.39 -0.16 0.00 -0.03 0.00 0.00 54.58 54.80 1xpu n ASN 117 Cb 0.46 0.09 -0.16 0.00 -0.61 0.00 0.00 39.78 39.56 1xpu n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xpu s GLU 118 N -2.86 0.20 -0.13 3.52 0.41 -1.17 -4.54 118.70 114.14 1xpu s GLU 118 Ca -0.03 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 1xpu s GLU 118 Cb 0.09 -0.38 0.02 0.00 -1.78 0.00 0.00 34.13 32.07 1xpu s GLU 118 CO 0.81 -0.12 -0.13 0.08 -0.49 0.00 0.00 175.26 175.41 1xpu s VAL 119 N 0.89 1.45 -1.51 2.63 1.01 -1.10 -1.95 120.40 121.82 1xpu s VAL 119 Ca -0.09 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1xpu s VAL 119 Cb -0.12 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 34.98 1xpu s VAL 119 CO -0.02 0.44 0.80 0.59 0.00 0.00 0.00 175.10 176.91 1xpu n ASN 120 N 4.70 -4.34 -0.76 3.32 3.02 -0.46 -0.76 115.26 119.98 1xpu n ASN 120 Ca -0.16 -0.70 -0.10 0.00 -0.03 0.00 0.00 54.58 53.59 1xpu n ASN 120 Cb 0.50 -3.51 -0.04 0.00 -0.61 0.00 0.00 39.78 36.12 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 -4.43 0.00 -3.81 3.10 3.72 -1.26 -4.95 117.46 109.83 1xpu n PHE 121 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xpu n PHE 121 Cb 0.53 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 1xpu n PHE 121 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xpu n ASP 122 N -0.92 1.42 -4.77 4.37 -0.08 0.06 -5.12 116.55 111.51 1xpu n ASP 122 Ca -0.10 -0.81 -0.41 0.00 -1.51 0.00 0.00 54.79 51.96 1xpu n ASP 122 Cb 0.53 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 1xpu n ASP 122 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1xpu s LYS 123 N -1.42 4.24 0.39 -0.67 1.02 -1.26 -2.72 119.74 119.33 1xpu s LYS 123 Ca 0.00 2.38 0.07 0.00 0.02 0.00 0.00 55.97 58.43 1xpu s LYS 123 Cb 0.00 -3.03 0.81 0.00 -0.52 0.00 0.00 37.83 35.10 1xpu s LYS 123 CO 0.00 -0.35 2.03 -1.35 -0.92 0.00 0.00 175.35 174.76 1xpu h PRO 124 N 3.24 0.62 0.06 -1.68 0.11 -1.85 -2.99 132.00 129.50 1xpu h PRO 124 Ca -0.50 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.30 1xpu h PRO 124 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1xpu h PRO 124 CO 0.65 0.41 -1.38 0.93 -0.21 0.00 0.00 178.00 178.40 1xpu h GLU 125 N 0.63 0.14 -6.64 1.05 4.39 -1.94 -3.46 114.58 108.74 1xpu h GLU 125 Ca 0.21 -0.23 -0.52 0.00 0.34 0.00 0.00 59.36 59.15 1xpu h GLU 125 Cb 0.05 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1xpu h GLU 125 CO -0.05 0.98 0.59 1.21 -1.16 0.00 0.00 179.01 180.58 1xpu s ASN 126 N -6.76 7.03 0.00 1.42 2.47 -1.13 -5.07 114.94 112.90 1xpu s ASN 126 Ca -0.05 2.25 0.00 0.00 0.42 0.00 0.00 52.86 55.49 1xpu s ASN 126 Cb 0.08 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1xpu s ASN 126 CO 0.84 -0.43 0.00 0.59 -3.72 0.00 0.00 177.10 174.38 1xpu n ASN 129 N 2.74 0.00 -4.80 -4.21 3.02 -1.26 -5.04 115.26 105.70 1xpu n ASN 129 Ca 0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.27 1xpu n ASN 129 Cb 0.44 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1xpu n ASN 129 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xpu s LYS 130 N -2.10 3.36 -0.02 3.52 1.02 -1.26 -5.05 119.74 119.20 1xpu s LYS 130 Ca 0.00 1.28 -0.03 0.00 0.02 0.00 0.00 55.97 57.24 1xpu s LYS 130 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1xpu s LYS 130 CO 0.00 -0.79 0.15 0.42 -0.92 0.00 0.00 175.35 174.22 1xpu s ILE 131 N -2.31 5.28 0.22 2.17 -1.09 -1.26 -4.84 121.20 119.37 1xpu s ILE 131 Ca 0.65 -0.17 0.31 0.00 -2.23 0.00 0.00 60.65 59.22 1xpu s ILE 131 Cb -0.17 -3.43 0.34 0.00 -1.58 0.00 0.00 42.46 37.62 1xpu s ILE 131 CO 0.34 0.37 2.00 0.25 -1.23 0.00 0.00 174.94 176.66 1xpu h LEU 132 N 4.04 0.00 -0.98 2.97 6.46 -1.97 -3.02 115.31 122.80 1xpu h LEU 132 Ca -0.50 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.49 1xpu h LEU 132 Cb 1.19 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 41.00 1xpu h LEU 132 CO 0.66 0.08 0.57 -0.26 -0.62 0.00 0.00 178.44 178.87 1xpu h PHE 133 N 0.00 0.97 -3.27 1.25 0.04 -1.99 -3.37 116.94 110.58 1xpu h PHE 133 Ca -0.00 0.04 -0.42 0.00 2.80 0.00 0.00 57.97 60.38 1xpu h PHE 133 Cb 0.49 -0.28 -0.38 0.00 2.20 0.00 0.00 35.95 37.98 1xpu h PHE 133 CO 0.00 0.08 -0.76 -1.83 -0.60 0.00 0.00 178.31 175.20 1xpu s GLU 134 N -5.81 0.44 -0.10 1.51 1.03 -1.14 -5.14 118.70 109.49 1xpu s GLU 134 Ca -0.11 0.18 -0.08 0.00 0.03 0.00 0.00 54.97 54.99 1xpu s GLU 134 Cb 0.26 -0.86 0.03 0.00 -0.80 0.00 0.00 34.13 32.77 1xpu s GLU 134 CO 0.79 -0.31 0.25 -0.80 -1.33 0.00 0.00 175.26 173.87 1xpu s ASN 135 N 2.02 -0.27 -0.17 0.83 0.01 -1.26 -4.54 114.94 111.56 1xpu s ASN 135 Ca 0.05 0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 52.43 1xpu s ASN 135 Cb -0.12 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 1xpu s ASN 135 CO -0.05 -0.12 1.80 -0.76 -1.51 0.00 0.00 177.10 176.47 1xpu s LEU 136 N 0.55 3.91 -0.04 0.60 1.43 -1.26 -4.95 118.68 118.92 1xpu s LEU 136 Ca -0.03 1.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 1xpu s LEU 136 Cb -0.05 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1xpu s LEU 136 CO -0.03 -1.36 -0.21 0.42 0.23 0.00 0.00 176.35 175.40 1xpu s THR 137 N 5.67 1.73 0.27 5.49 -4.23 -1.26 -0.53 115.64 122.78 1xpu s THR 137 Ca 0.80 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 1xpu s THR 137 Cb -0.30 -1.46 0.07 0.00 1.34 0.00 0.00 72.50 72.15 1xpu s THR 137 CO 0.33 0.49 0.24 -2.65 -0.54 0.00 0.00 174.62 172.48 1xpu n PRO 138 N 2.85 -1.51 0.00 3.99 -0.02 -1.23 -4.88 135.00 134.19 1xpu n PRO 138 Ca -0.17 -0.38 0.06 0.00 -2.02 0.00 0.00 63.50 60.99 1xpu n PRO 138 Cb 0.52 -0.36 0.30 0.00 -0.02 0.00 0.00 33.50 33.94 1xpu n PRO 138 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xpu n LEU 139 N 0.00 0.00 -1.15 2.45 4.77 -1.26 -4.86 117.00 116.95 1xpu n LEU 139 Ca 0.03 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.24 1xpu n LEU 139 Cb 0.13 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1xpu n LEU 139 CO 0.09 -0.16 0.04 1.41 -1.33 0.00 0.00 177.39 177.43 1xpu n HIS 140 N -1.26 -0.48 -2.70 -1.77 8.25 -1.26 -5.00 115.22 111.00 1xpu n HIS 140 Ca 0.06 0.18 -0.06 0.00 -0.26 0.00 0.00 57.72 57.63 1xpu n HIS 140 Cb 0.09 -1.93 0.09 0.00 1.12 0.00 0.00 29.99 29.36 1xpu n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xpu n ALA 141 N -2.60 2.27 -1.00 -1.41 0.00 -1.26 -4.55 120.51 111.96 1xpu n ALA 141 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1xpu n ALA 141 Cb 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1xpu n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xpu n ASN 142 N -0.58 0.00 -4.67 0.00 5.15 -1.26 -4.21 115.26 109.69 1xpu n ASN 142 Ca -0.01 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.55 1xpu n ASN 142 Cb 0.84 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.06 1xpu n ASN 142 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xpu s SER 143 N -1.14 6.72 0.73 1.20 1.04 -1.26 -4.55 113.70 116.44 1xpu s SER 143 Ca 0.00 2.18 -0.11 0.00 0.48 0.00 0.00 55.95 58.49 1xpu s SER 143 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1xpu s SER 143 CO 0.00 -0.87 1.07 0.00 0.98 0.00 0.00 173.24 174.42 1xpu s ARG 144 N 3.62 2.66 -0.46 4.02 1.70 -1.26 -3.48 118.95 125.74 1xpu s ARG 144 Ca 0.70 0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 56.61 1xpu s ARG 144 Cb -0.32 -1.97 0.08 0.00 -0.57 0.00 0.00 34.95 32.16 1xpu s ARG 144 CO 0.27 -1.25 0.36 -0.51 -1.08 0.00 0.00 175.30 173.09 1xpu s LEU 145 N -5.59 5.52 0.28 -1.89 1.02 0.23 -4.88 118.68 113.38 1xpu s LEU 145 Ca 0.59 -1.42 -0.13 0.00 0.02 0.00 0.00 54.13 53.19 1xpu s LEU 145 Cb -0.14 -2.12 -0.08 0.00 0.02 0.00 0.00 46.19 43.87 1xpu s LEU 145 CO 0.54 -0.63 0.67 -0.60 0.02 0.00 0.00 176.35 176.36 1xpu s ARG 146 N 1.57 3.94 -0.08 1.70 3.52 -1.26 -4.13 118.95 124.21 1xpu s ARG 146 Ca 0.04 0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1xpu s ARG 146 Cb -0.24 -2.53 0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1xpu s ARG 146 CO 0.05 0.22 0.05 -1.64 -0.81 0.00 0.00 175.30 173.17 1xpu s MET 147 N -2.87 0.16 -0.73 5.12 -1.94 -1.26 -4.91 119.30 112.87 1xpu s MET 147 Ca 0.51 0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.69 1xpu s MET 147 Cb -0.11 -0.96 0.36 0.00 2.01 0.00 0.00 34.83 36.14 1xpu s MET 147 CO 0.19 -0.40 1.53 0.41 -0.01 0.00 0.00 175.02 176.74 1xpu n GLY 152 N 5.24 5.82 0.00 -0.03 0.00 -1.26 -4.74 105.19 110.22 1xpu n GLY 152 Ca -0.05 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.33 1xpu n GLY 152 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xpu n SER 153 N -0.35 -0.04 -0.00 1.61 3.41 -1.26 -5.02 113.62 111.96 1xpu n SER 153 Ca 0.44 -0.87 0.04 0.00 -0.26 0.00 0.00 58.87 58.22 1xpu n SER 153 Cb 0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 1xpu n SER 153 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xpu n THR 154 N -1.80 0.69 0.26 6.66 5.66 -1.26 -4.06 114.28 120.43 1xpu n THR 154 Ca 0.00 -0.63 0.16 0.00 -3.05 0.00 0.00 64.05 60.53 1xpu n THR 154 Cb 0.00 -0.33 0.58 0.00 -1.55 0.00 0.00 70.33 69.03 1xpu n THR 154 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1xpu h GLU 155 N 0.00 0.00 0.00 1.09 5.08 -2.04 -3.06 114.58 115.65 1xpu h GLU 155 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xpu h GLU 155 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1xpu h GLU 155 CO 0.02 0.01 0.00 0.22 -1.00 0.00 0.00 179.01 178.26 1xpu h ASP 156 N 0.00 0.00 -0.57 1.42 1.82 -1.97 -3.05 116.42 114.07 1xpu h ASP 156 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.71 1xpu h ASP 156 Cb 0.62 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.59 1xpu h ASP 156 CO 0.00 0.00 0.38 -0.07 -1.61 0.00 0.00 179.24 177.94 1xpu h LEU 157 N 0.00 0.42 -0.34 2.28 3.38 -1.76 0.46 115.31 119.75 1xpu h LEU 157 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1xpu h LEU 157 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xpu h LEU 157 CO 0.00 0.27 -0.23 0.74 0.09 0.00 0.00 178.44 179.30 1xpu h THR 158 N 0.47 1.29 -0.15 0.22 2.02 -1.77 -2.79 112.91 112.20 1xpu h THR 158 Ca 0.25 -1.38 -0.16 0.00 0.77 0.00 0.00 66.41 65.90 1xpu h THR 158 Cb 0.39 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1xpu h THR 158 CO -0.07 0.45 -0.56 0.00 0.37 0.00 0.00 175.52 175.70 1xpu h ALA 159 N 0.76 0.74 -0.18 6.16 0.00 -1.20 -1.96 119.26 123.58 1xpu h ALA 159 Ca 0.07 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1xpu h ALA 159 Cb 0.79 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xpu h ALA 159 CO 0.06 0.70 -0.72 0.00 0.00 0.00 0.00 179.25 179.29 1xpu h ARG 160 N 0.36 0.81 -0.65 0.00 2.47 -0.23 0.88 114.38 118.02 1xpu h ARG 160 Ca 0.00 -0.62 -0.07 0.00 -1.26 0.00 0.00 59.98 58.03 1xpu h ARG 160 Cb 1.09 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.51 1xpu h ARG 160 CO 0.10 1.24 0.15 0.28 0.56 0.00 0.00 179.97 182.30 1xpu h VAL 161 N 0.55 1.26 -0.43 2.04 2.07 -1.53 -2.17 116.25 118.04 1xpu h VAL 161 Ca -0.04 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1xpu h VAL 161 Cb 1.34 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1xpu h VAL 161 CO 0.15 0.36 0.10 0.25 0.02 0.00 0.00 177.57 178.45 1xpu h LEU 162 N 0.97 0.59 -0.46 2.57 6.46 -1.24 0.27 115.31 124.46 1xpu h LEU 162 Ca 0.20 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1xpu h LEU 162 Cb 0.37 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1xpu h LEU 162 CO 0.00 0.59 0.25 0.44 -0.62 0.00 0.00 178.44 179.10 1xpu h ASP 163 N 0.62 0.58 0.33 1.25 3.32 -0.47 -2.28 116.42 119.76 1xpu h ASP 163 Ca 0.14 -0.10 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 1xpu h ASP 163 Cb 0.24 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.67 1xpu h ASP 163 CO -0.00 0.51 -1.51 -0.07 -1.72 0.00 0.00 179.24 176.45 1xpu h LEU 164 N 0.61 0.69 0.43 1.55 3.38 -0.99 -3.31 115.31 117.67 1xpu h LEU 164 Ca 0.16 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1xpu h LEU 164 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xpu h LEU 164 CO -0.03 1.65 -0.21 0.00 0.09 0.00 0.00 178.44 179.95 1xpu h ALA 165 N 0.25 -0.58 -2.67 1.53 0.00 -0.55 -3.43 119.26 113.81 1xpu h ALA 165 Ca -0.26 -0.17 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 1xpu h ALA 165 Cb 2.11 0.22 -0.39 0.00 0.00 0.00 0.00 17.79 19.73 1xpu h ALA 165 CO 0.23 -0.57 -0.82 -1.54 0.00 0.00 0.00 179.25 176.55 1xpu s SER 166 N -4.92 3.19 0.36 0.00 1.04 -0.86 -3.51 113.70 109.00 1xpu s SER 166 Ca -0.11 -1.85 -0.28 0.00 0.48 0.00 0.00 55.95 54.18 1xpu s SER 166 Cb 0.01 -0.39 -0.12 0.00 0.10 0.00 0.00 66.02 65.63 1xpu s SER 166 CO 0.36 -0.36 1.42 -2.65 0.98 0.00 0.00 173.24 172.99 1xpu n PRO 167 N 4.49 2.48 -3.97 4.02 -0.02 -1.25 -4.62 135.00 136.13 1xpu n PRO 167 Ca 0.05 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.06 1xpu n PRO 167 Cb 0.39 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 1xpu n PRO 167 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xpu s ILE 168 N -1.04 4.84 0.37 4.25 1.09 -1.26 -4.85 121.20 124.60 1xpu s ILE 168 Ca 0.55 -0.02 0.08 0.00 -1.10 0.00 0.00 60.65 60.17 1xpu s ILE 168 Cb -0.51 -3.19 -0.06 0.00 -1.06 0.00 0.00 42.46 37.64 1xpu s ILE 168 CO 0.62 0.45 0.01 -0.83 -0.10 0.00 0.00 174.94 175.09 1xpu s GLY 169 N 0.42 2.23 0.06 6.18 0.00 -1.26 0.78 107.32 115.73 1xpu s GLY 169 Ca 0.04 -2.09 -0.31 0.00 0.00 0.00 0.00 44.72 42.36 1xpu s GLY 169 CO 0.00 -1.98 1.30 0.50 0.00 0.00 0.00 173.10 172.92 1xpu s ARG 170 N -3.71 4.36 -0.08 2.90 0.52 -1.23 -3.38 118.95 118.33 1xpu s ARG 170 Ca 0.35 1.90 -0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1xpu s ARG 170 Cb 0.03 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1xpu s ARG 170 CO 0.19 -0.39 0.04 0.41 0.02 0.00 0.00 175.30 175.57 1xpu n GLY 171 N 3.41 0.71 3.62 -3.53 0.00 -1.25 -4.17 105.19 103.97 1xpu n GLY 171 Ca 0.11 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1xpu n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpu s GLN 172 N -4.75 2.77 -1.10 1.61 -0.21 -1.22 -3.91 119.66 112.85 1xpu s GLN 172 Ca 0.02 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.66 1xpu s GLN 172 Cb -0.01 -2.63 0.10 0.00 1.00 0.00 0.00 33.01 31.47 1xpu s GLN 172 CO 0.03 0.66 1.43 1.03 -2.12 0.00 0.00 175.29 176.31 1xpu s ARG 173 N -1.00 3.78 0.28 2.91 0.52 -1.26 -2.22 118.95 121.96 1xpu s ARG 173 Ca 0.14 -1.78 -0.28 0.00 -0.52 0.00 0.00 55.73 53.29 1xpu s ARG 173 Cb -0.11 -5.23 -0.09 0.00 0.52 0.00 0.00 34.95 30.04 1xpu s ARG 173 CO 0.04 -2.02 0.99 0.20 0.02 0.00 0.00 175.30 174.52 1xpu s GLY 174 N 4.03 2.99 -0.04 -3.53 0.00 0.16 -2.79 107.32 108.15 1xpu s GLY 174 Ca 0.44 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 1xpu s GLY 174 CO -0.04 1.20 0.06 -2.27 0.00 0.00 0.00 173.10 172.05 1xpu s LEU 175 N -1.59 0.49 -0.47 0.66 0.20 0.04 -1.01 118.68 116.99 1xpu s LEU 175 Ca 0.46 0.09 -0.12 0.00 0.69 0.00 0.00 54.13 55.25 1xpu s LEU 175 Cb -0.25 -0.06 0.10 0.00 -0.43 0.00 0.00 46.19 45.54 1xpu s LEU 175 CO 0.32 -0.20 0.36 -0.63 -0.29 0.00 0.00 176.35 175.91 1xpu s ILE 176 N 1.74 4.66 -0.14 6.68 1.01 -0.26 -0.65 121.20 134.23 1xpu s ILE 176 Ca -0.01 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 58.91 1xpu s ILE 176 Cb -0.12 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1xpu s ILE 176 CO -0.03 -0.67 1.31 -0.69 0.00 0.00 0.00 174.94 174.86 1xpu s VAL 177 N 1.50 4.19 -0.06 2.92 1.01 0.07 -0.73 120.40 129.29 1xpu s VAL 177 Ca 0.04 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 1xpu s VAL 177 Cb -0.26 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1xpu s VAL 177 CO 0.03 -0.12 0.11 0.00 0.00 0.00 0.00 175.10 175.12 1xpu s ALA 178 N 3.47 -0.05 0.66 5.51 0.00 -0.29 0.09 121.76 131.16 1xpu s ALA 178 Ca 0.57 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1xpu s ALA 178 Cb -0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1xpu s ALA 178 CO 0.17 -0.36 1.05 -2.14 0.00 0.00 0.00 175.76 174.49 1xpu s PRO 179 N 1.74 3.21 0.31 0.00 0.02 -1.26 -2.25 135.00 136.78 1xpu s PRO 179 Ca -0.02 0.73 -0.29 0.00 0.02 0.00 0.00 61.00 61.44 1xpu s PRO 179 Cb -0.12 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.23 1xpu s PRO 179 CO -0.05 -0.84 1.31 -2.30 -0.33 0.00 0.00 177.00 174.79 1xpu n PRO 180 N -2.93 2.05 -3.31 5.54 -0.02 -1.26 -3.64 135.00 131.45 1xpu n PRO 180 Ca 0.07 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1xpu n PRO 180 Cb 0.55 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1xpu n PRO 180 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xpu n LYS 181 N 1.00 -1.60 0.00 -0.52 5.02 -1.26 -4.93 118.16 115.87 1xpu n LYS 181 Ca 0.07 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 1xpu n LYS 181 Cb 0.34 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -2.75 1.14 -1.26 7.82 0.00 -1.24 -4.78 120.51 119.44 1xpu n ALA 182 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1xpu n ALA 182 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.08 0.72 0.29 0.00 0.00 -1.26 -4.46 105.19 100.39 1xpu n GLY 183 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.90 0.26 1.61 3.11 -1.95 -0.04 116.57 120.46 1xpu h LYS 184 Ca 0.00 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.52 1xpu h LYS 184 Cb 0.52 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1xpu h LYS 184 CO 0.00 0.96 -0.12 1.15 -2.81 0.00 0.00 179.45 178.62 1xpu h THR 185 N 0.81 0.74 -0.12 1.00 2.02 -1.99 -2.36 112.91 113.01 1xpu h THR 185 Ca 0.13 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1xpu h THR 185 Cb 0.62 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1xpu h THR 185 CO 0.04 0.15 -0.11 0.24 0.37 0.00 0.00 175.52 176.21 1xpu h MET 186 N -0.79 0.18 -0.42 6.66 2.86 -1.97 0.24 114.93 121.69 1xpu h MET 186 Ca -0.04 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1xpu h MET 186 Cb 0.51 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1xpu h MET 186 CO 0.06 0.31 0.08 1.25 1.06 0.00 0.00 176.91 179.66 1xpu h LEU 187 N 0.18 0.66 -0.60 1.22 5.85 -1.05 0.12 115.31 121.67 1xpu h LEU 187 Ca 0.04 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 1xpu h LEU 187 Cb 0.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1xpu h LEU 187 CO 0.02 0.74 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.63 1xpu h LEU 188 N 0.54 0.95 -1.28 2.25 3.38 -0.79 -0.70 115.31 119.66 1xpu h LEU 188 Ca 0.13 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1xpu h LEU 188 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xpu h LEU 188 CO 0.01 1.09 -0.17 1.56 0.09 0.00 0.00 178.44 181.02 1xpu h GLN 189 N 0.83 0.28 -0.21 1.13 4.20 -0.45 -1.26 115.11 119.63 1xpu h GLN 189 Ca 0.12 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 1xpu h GLN 189 Cb 0.71 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1xpu h GLN 189 CO 0.05 0.45 -0.36 -0.97 -0.67 0.00 0.00 178.83 177.34 1xpu h ASN 190 N 0.26 0.67 -0.47 1.46 -0.73 -0.42 -1.24 115.58 115.11 1xpu h ASN 190 Ca 0.05 -0.53 -0.00 0.00 1.87 0.00 0.00 56.30 57.68 1xpu h ASN 190 Cb 0.46 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1xpu h ASN 190 CO 0.03 1.08 0.29 0.40 -0.37 0.00 0.00 177.43 178.85 1xpu h ILE 191 N 0.29 1.15 -0.72 2.57 2.04 -0.97 -1.34 117.51 120.53 1xpu h ILE 191 Ca 0.01 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1xpu h ILE 191 Cb 0.95 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xpu h ILE 191 CO 0.08 0.15 0.26 0.00 0.00 0.00 0.00 178.15 178.64 1xpu h ALA 192 N 1.14 1.10 -0.22 1.87 0.00 -1.22 0.14 119.26 122.07 1xpu h ALA 192 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xpu h ALA 192 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xpu h ALA 192 CO -0.03 0.63 -0.27 1.96 0.00 0.00 0.00 179.25 181.54 1xpu h GLN 193 N 1.05 0.42 0.19 0.00 4.20 -1.01 -2.36 115.11 117.59 1xpu h GLN 193 Ca 0.24 -0.16 -0.31 0.00 0.06 0.00 0.00 58.65 58.48 1xpu h GLN 193 Cb 0.24 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.02 1xpu h GLN 193 CO -0.01 0.66 -1.38 1.03 -0.67 0.00 0.00 178.83 178.46 1xpu h SER 194 N 0.37 0.62 -0.80 1.46 0.87 -0.84 -3.02 113.55 112.19 1xpu h SER 194 Ca 0.05 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 59.92 1xpu h SER 194 Cb 0.67 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1xpu h SER 194 CO 0.05 1.53 0.42 0.40 -0.53 0.00 0.00 176.83 178.70 1xpu h ILE 195 N 0.11 1.24 -0.52 2.23 1.08 -0.70 0.58 117.51 121.53 1xpu h ILE 195 Ca -0.20 -0.63 -0.09 0.00 -0.39 0.00 0.00 64.86 63.54 1xpu h ILE 195 Cb 2.07 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 1xpu h ILE 195 CO 0.23 0.28 -0.05 0.00 -0.69 0.00 0.00 178.15 177.92 1xpu h ALA 196 N 1.22 0.93 0.03 1.87 0.00 -1.50 -1.54 119.26 120.27 1xpu h ALA 196 Ca 0.28 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xpu h ALA 196 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xpu h ALA 196 CO -0.04 0.63 -0.20 -0.92 0.00 0.00 0.00 179.25 178.72 1xpu h TYR 197 N 0.84 0.12 -0.02 0.00 3.20 -1.39 -3.35 116.97 116.36 1xpu h TYR 197 Ca 0.15 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xpu h TYR 197 Cb 0.57 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1xpu h TYR 197 CO 0.03 1.08 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.69 1xpu h ASN 198 N -0.87 0.06 -3.52 -2.11 4.21 -0.96 -3.40 115.58 108.98 1xpu h ASN 198 Ca -0.04 -0.58 -0.62 0.00 1.21 0.00 0.00 56.30 56.27 1xpu h ASN 198 Cb 1.14 -0.02 -0.41 0.00 -1.12 0.00 0.00 38.32 37.92 1xpu h ASN 198 CO 0.03 0.62 -0.65 -1.00 -1.29 0.00 0.00 177.43 175.14 1xpu s HIS 199 N -3.90 2.96 -0.42 1.19 3.76 -0.58 -4.93 115.29 113.36 1xpu s HIS 199 Ca -0.16 -3.04 0.26 0.00 -0.15 0.00 0.00 55.06 51.97 1xpu s HIS 199 Cb 0.01 -2.45 0.90 0.00 1.11 0.00 0.00 32.58 32.15 1xpu s HIS 199 CO 0.69 -0.67 1.77 -1.35 -0.85 0.00 0.00 174.74 174.33 1xpu h PRO 200 N 6.01 0.00 0.00 8.40 0.11 -1.71 -3.05 132.00 141.75 1xpu h PRO 200 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1xpu h PRO 200 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1xpu h PRO 200 CO 0.64 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.81 1xpu h ASP 201 N 0.00 0.00 -3.36 -2.05 2.03 -1.91 -3.45 116.42 107.68 1xpu h ASP 201 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1xpu h ASP 201 Cb 0.62 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.08 1xpu h ASP 201 CO 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 179.24 178.27 1xpu s VAL 203 N -0.45 4.14 -0.27 0.00 1.01 -0.67 -4.96 120.40 119.20 1xpu s VAL 203 Ca 0.33 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 1xpu s VAL 203 Cb -0.20 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.51 1xpu s VAL 203 CO 0.20 -1.23 0.66 -0.22 0.00 0.00 0.00 175.10 174.52 1xpu s LEU 204 N 4.61 4.09 -0.29 3.92 2.96 -1.26 -1.85 118.68 130.85 1xpu s LEU 204 Ca 0.40 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1xpu s LEU 204 Cb -0.09 -2.90 0.07 0.00 0.50 0.00 0.00 46.19 43.77 1xpu s LEU 204 CO 0.25 -0.44 -0.03 -0.04 -1.32 0.00 0.00 176.35 174.77 1xpu s MET 205 N 2.61 2.17 -0.29 1.98 -1.94 0.89 -1.65 119.30 123.07 1xpu s MET 205 Ca 0.27 -1.44 -0.14 0.00 -1.71 0.00 0.00 55.69 52.67 1xpu s MET 205 Cb -0.15 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 1xpu s MET 205 CO 0.10 -0.68 0.34 0.08 -0.01 0.00 0.00 175.02 174.85 1xpu s VAL 206 N 1.12 5.20 -0.23 -6.03 1.01 -0.29 -0.32 120.40 120.86 1xpu s VAL 206 Ca -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1xpu s VAL 206 Cb -0.20 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1xpu s VAL 206 CO -0.04 0.11 -0.07 -0.22 0.00 0.00 0.00 175.10 174.88 1xpu s LEU 207 N 2.00 2.90 -0.24 3.92 2.96 -0.04 -0.54 118.68 129.64 1xpu s LEU 207 Ca 0.13 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1xpu s LEU 207 Cb -0.16 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1xpu s LEU 207 CO 0.11 -0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.24 1xpu s LEU 208 N 1.39 3.09 -0.14 -0.68 1.43 -0.45 0.44 118.68 123.75 1xpu s LEU 208 Ca 0.04 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1xpu s LEU 208 Cb -0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1xpu s LEU 208 CO -0.05 -0.11 -0.04 -0.63 0.23 0.00 0.00 176.35 175.75 1xpu s ILE 209 N 1.34 3.90 -1.16 -0.59 1.01 -1.23 -0.63 121.20 123.82 1xpu s ILE 209 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1xpu s ILE 209 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1xpu s ILE 209 CO -0.05 0.51 0.00 -0.67 0.00 0.00 0.00 174.94 174.73 1xpu n ASP 210 N 3.34 -4.23 -4.81 3.58 -0.08 0.53 -4.88 116.55 110.00 1xpu n ASP 210 Ca -0.17 0.22 -0.32 0.00 -1.51 0.00 0.00 54.79 53.00 1xpu n ASP 210 Cb 0.53 -2.89 0.01 0.00 2.34 0.00 0.00 41.12 41.11 1xpu n ASP 210 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1xpu s GLU 211 N -3.31 3.30 0.28 -0.67 2.56 -0.74 -3.98 118.70 116.14 1xpu s GLU 211 Ca 0.00 1.15 -0.29 0.00 0.00 0.00 0.00 54.97 55.83 1xpu s GLU 211 Cb 0.00 -2.03 -0.10 0.00 2.00 0.00 0.00 34.13 34.00 1xpu s GLU 211 CO 0.00 -0.82 1.09 1.03 -0.56 0.00 0.00 175.26 176.00 1xpu s ARG 212 N -4.21 4.63 0.26 4.30 0.52 -1.26 -1.94 118.95 121.25 1xpu s ARG 212 Ca 0.62 1.78 -0.02 0.00 -0.52 0.00 0.00 55.73 57.59 1xpu s ARG 212 Cb -0.15 -3.17 0.50 0.00 0.52 0.00 0.00 34.95 32.64 1xpu s ARG 212 CO 0.39 0.22 1.78 -1.35 0.02 0.00 0.00 175.30 176.36 1xpu h PRO 213 N 3.78 0.66 0.00 3.54 0.11 -1.97 -1.30 132.00 136.82 1xpu h PRO 213 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1xpu h PRO 213 Cb 1.21 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1xpu h PRO 213 CO 0.67 0.44 -0.50 1.05 -0.21 0.00 0.00 178.00 179.44 1xpu h GLU 214 N 0.68 0.00 0.00 1.05 9.09 -2.02 -2.84 114.58 120.54 1xpu h GLU 214 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1xpu h GLU 214 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1xpu h GLU 214 CO -0.33 0.50 0.00 1.49 0.05 0.00 0.00 179.01 180.72 1xpu h GLU 215 N 0.00 0.00 0.16 1.06 4.57 -1.65 -3.20 114.58 115.53 1xpu h GLU 215 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1xpu h GLU 215 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1xpu h GLU 215 CO 0.07 0.00 -0.08 0.28 -1.18 0.00 0.00 179.01 178.10 1xpu h VAL 216 N 0.00 0.80 0.00 0.32 2.07 -1.17 -3.03 116.25 115.25 1xpu h VAL 216 Ca 0.00 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1xpu h VAL 216 Cb 0.75 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xpu h VAL 216 CO 0.00 0.21 -0.20 0.71 0.02 0.00 0.00 177.57 178.32 1xpu h THR 217 N -0.88 0.72 -0.29 2.57 1.35 -1.65 0.92 112.91 115.66 1xpu h THR 217 Ca -0.02 -0.82 -0.19 0.00 -0.55 0.00 0.00 66.41 64.83 1xpu h THR 217 Cb 0.52 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1xpu h THR 217 CO 0.04 0.19 -0.56 -0.08 -0.25 0.00 0.00 175.52 174.86 1xpu h GLU 218 N 0.00 0.88 -0.04 4.72 4.22 -1.66 -2.29 114.58 120.41 1xpu h GLU 218 Ca -0.00 -0.56 -0.14 0.00 0.08 0.00 0.00 59.36 58.73 1xpu h GLU 218 Cb 0.49 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1xpu h GLU 218 CO 0.03 1.20 -0.61 1.98 -2.18 0.00 0.00 179.01 179.42 1xpu h MET 219 N 0.67 0.15 -0.13 1.92 4.05 -1.29 -3.25 114.93 117.06 1xpu h MET 219 Ca 0.01 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 1xpu h MET 219 Cb 1.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1xpu h MET 219 CO 0.12 0.71 -0.34 0.37 0.23 0.00 0.00 176.91 178.01 1xpu h GLN 220 N 0.11 0.26 -0.25 0.39 4.15 -0.68 -2.53 115.11 116.55 1xpu h GLN 220 Ca -0.01 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1xpu h GLN 220 Cb 1.10 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1xpu h GLN 220 CO 0.09 0.57 0.00 0.54 -1.93 0.00 0.00 178.83 178.10 1xpu n ARG 221 N -4.08 1.97 -0.03 1.69 1.74 -0.88 -4.37 116.66 112.70 1xpu n ARG 221 Ca -0.01 -1.46 -0.06 0.00 -0.77 0.00 0.00 57.85 55.55 1xpu n ARG 221 Cb 0.43 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.68 0.73 -4.64 0.55 4.77 -1.11 -5.01 117.00 112.98 1xpu n LEU 222 Ca 0.17 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 1xpu n LEU 222 Cb 0.41 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1xpu n LEU 222 CO 0.13 0.18 1.38 -0.69 -1.33 0.00 0.00 177.39 177.06 1xpu s VAL 223 N -2.11 3.65 -1.01 4.08 1.01 -0.97 -4.91 120.40 120.14 1xpu s VAL 223 Ca -0.08 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 1xpu s VAL 223 Cb 0.03 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1xpu s VAL 223 CO 0.11 -0.20 1.51 -0.54 0.00 0.00 0.00 175.10 175.98 1xpu s LYS 224 N 4.48 3.49 0.00 2.72 1.02 -1.26 -4.76 119.74 125.43 1xpu s LYS 224 Ca 0.73 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1xpu s LYS 224 Cb -0.28 -5.33 0.00 0.00 -0.52 0.00 0.00 37.83 31.70 1xpu s LYS 224 CO 0.29 -2.34 0.00 0.41 -0.92 0.00 0.00 175.35 172.79 1xpu n GLY 225 N 6.86 -0.48 3.52 -3.33 0.00 -1.26 -4.78 105.19 105.72 1xpu n GLY 225 Ca 0.34 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 3.40 -0.33 1.61 2.12 -0.66 -5.02 118.70 117.83 1xpu s GLU 226 Ca 0.00 -0.50 -0.10 0.00 0.36 0.00 0.00 54.97 54.72 1xpu s GLU 226 Cb 0.00 -3.87 -0.00 0.00 0.26 0.00 0.00 34.13 30.52 1xpu s GLU 226 CO 0.00 -0.67 0.17 0.08 -0.54 0.00 0.00 175.26 174.31 1xpu s VAL 227 N 2.12 4.67 -0.17 3.70 1.01 -1.26 -1.14 120.40 129.33 1xpu s VAL 227 Ca 0.13 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1xpu s VAL 227 Cb -0.17 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1xpu s VAL 227 CO 0.13 -0.01 -0.19 -0.69 0.00 0.00 0.00 175.10 174.34 1xpu s VAL 228 N 1.61 2.18 0.00 2.92 1.01 0.29 -4.88 120.40 123.53 1xpu s VAL 228 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1xpu s VAL 228 Cb -0.18 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1xpu s VAL 228 CO 0.07 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.66 1xpu s ALA 229 N 1.15 0.31 -0.16 5.51 0.00 -1.26 -1.34 121.76 125.97 1xpu s ALA 229 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1xpu s ALA 229 Cb -0.14 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1xpu s ALA 229 CO -0.09 0.04 -0.18 -1.54 0.00 0.00 0.00 175.76 174.00 1xpu s SER 230 N -0.36 3.42 0.77 0.00 1.04 0.20 -4.81 113.70 113.96 1xpu s SER 230 Ca -0.01 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 1xpu s SER 230 Cb -0.03 -1.52 0.06 0.00 0.10 0.00 0.00 66.02 64.63 1xpu s SER 230 CO -0.00 0.07 1.13 0.42 0.98 0.00 0.00 173.24 175.83 1xpu s THR 231 N 0.90 2.83 -0.01 2.02 -4.23 -1.26 -0.35 115.64 115.55 1xpu s THR 231 Ca -0.04 0.27 0.25 0.00 -1.18 0.00 0.00 61.69 60.99 1xpu s THR 231 Cb -0.15 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.75 1xpu s THR 231 CO -0.03 -0.35 1.77 2.19 -0.54 0.00 0.00 174.62 177.67 1xpu h PHE 232 N -0.93 0.00 0.00 3.99 -5.15 -1.52 -2.86 116.94 110.47 1xpu h PHE 232 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1xpu h PHE 232 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1xpu h PHE 232 CO 0.42 0.18 0.00 -0.40 -2.00 0.00 0.00 178.31 176.50 1xpu n ASP 233 N -3.25 0.00 -4.70 -0.68 3.85 -1.26 -4.76 116.55 105.75 1xpu n ASP 233 Ca 0.01 -1.42 -0.32 0.00 -0.71 0.00 0.00 54.79 52.35 1xpu n ASP 233 Cb 0.46 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.15 1xpu n ASP 233 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xpu s GLU 234 N -2.00 2.81 1.01 0.11 2.02 -1.08 -5.11 118.70 116.46 1xpu s GLU 234 Ca 0.12 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 1xpu s GLU 234 Cb 0.05 -2.69 0.20 0.00 0.10 0.00 0.00 34.13 31.80 1xpu s GLU 234 CO 0.09 0.62 1.09 -0.35 0.02 0.00 0.00 175.26 176.73 1xpu n PRO 235 N 1.23 -1.20 0.23 0.39 -0.04 -1.26 -4.88 135.00 129.47 1xpu n PRO 235 Ca -0.14 -0.30 0.06 0.00 -0.04 0.00 0.00 63.50 63.09 1xpu n PRO 235 Cb 0.53 -2.30 0.53 0.00 -0.04 0.00 0.00 33.50 32.22 1xpu n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpu h ALA 236 N -2.19 1.60 0.00 0.55 0.00 -1.96 -1.88 119.26 115.38 1xpu h ALA 236 Ca -0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1xpu h ALA 236 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xpu h ALA 236 CO 0.44 0.23 -0.15 0.66 0.00 0.00 0.00 179.25 180.43 1xpu h SER 237 N 0.00 0.00 -0.11 0.00 4.64 -1.91 -2.81 113.55 113.36 1xpu h SER 237 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xpu h SER 237 Cb 0.35 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1xpu h SER 237 CO 0.02 0.15 -0.74 -0.09 -0.87 0.00 0.00 176.83 175.31 1xpu h ARG 238 N 0.00 0.69 -0.74 4.77 9.65 -1.68 -2.02 114.38 125.05 1xpu h ARG 238 Ca -0.00 -0.60 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1xpu h ARG 238 Cb 0.41 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1xpu h ARG 238 CO 0.02 1.21 0.44 0.45 2.80 0.00 0.00 179.97 184.89 1xpu h HIS 239 N 0.37 0.99 -0.54 2.20 3.86 -1.51 -0.89 115.15 119.63 1xpu h HIS 239 Ca -0.06 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1xpu h HIS 239 Cb 1.38 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 1xpu h HIS 239 CO 0.10 0.67 0.14 0.28 0.86 0.00 0.00 177.93 179.99 1xpu h VAL 240 N 1.02 1.24 -0.20 2.45 2.07 -1.56 -2.77 116.25 118.49 1xpu h VAL 240 Ca 0.26 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1xpu h VAL 240 Cb -0.02 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1xpu h VAL 240 CO -0.05 0.31 0.13 -0.61 0.02 0.00 0.00 177.57 177.38 1xpu h GLN 241 N 0.76 0.27 -0.14 1.57 4.15 -0.82 -1.14 115.11 119.77 1xpu h GLN 241 Ca 0.17 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1xpu h GLN 241 Cb 0.32 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1xpu h GLN 241 CO -0.00 0.20 0.06 0.28 -1.93 0.00 0.00 178.83 177.43 1xpu h VAL 242 N 0.27 1.15 -0.55 2.39 2.07 -1.18 -1.41 116.25 118.98 1xpu h VAL 242 Ca 0.07 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1xpu h VAL 242 Cb -0.01 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1xpu h VAL 242 CO -0.02 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.89 1xpu h ALA 243 N 0.90 0.72 -0.28 1.67 0.00 -1.44 -0.29 119.26 120.53 1xpu h ALA 243 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xpu h ALA 243 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xpu h ALA 243 CO -0.00 0.37 -0.08 1.49 0.00 0.00 0.00 179.25 181.03 1xpu h GLU 244 N 0.76 0.46 -0.11 0.00 4.57 -1.16 -1.44 114.58 117.66 1xpu h GLU 244 Ca 0.18 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1xpu h GLU 244 Cb 0.27 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1xpu h GLU 244 CO -0.01 0.55 -0.17 1.98 -1.18 0.00 0.00 179.01 180.18 1xpu h MET 245 N 0.43 0.30 -0.22 1.92 4.05 -0.88 -2.79 114.93 117.74 1xpu h MET 245 Ca 0.09 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1xpu h MET 245 Cb 0.41 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1xpu h MET 245 CO 0.02 0.76 0.10 0.28 0.23 0.00 0.00 176.91 178.30 1xpu h VAL 246 N -0.13 1.14 -0.45 -5.77 2.07 -0.88 -0.71 116.25 111.52 1xpu h VAL 246 Ca 0.01 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1xpu h VAL 246 Cb 0.74 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1xpu h VAL 246 CO 0.04 0.14 -0.04 -0.29 0.02 0.00 0.00 177.57 177.44 1xpu h ILE 247 N 0.22 1.24 -0.03 4.57 6.09 -1.37 -0.27 117.51 127.97 1xpu h ILE 247 Ca 0.07 -1.04 -0.21 0.00 -1.37 0.00 0.00 64.86 62.31 1xpu h ILE 247 Cb 0.13 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1xpu h ILE 247 CO -0.01 0.36 -0.87 -0.33 -3.07 0.00 0.00 178.15 174.23 1xpu h GLU 248 N 0.70 0.44 -0.18 2.19 4.39 -1.38 0.28 114.58 121.02 1xpu h GLU 248 Ca 0.13 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 1xpu h GLU 248 Cb 0.49 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1xpu h GLU 248 CO 0.02 1.08 -0.27 -0.22 -1.16 0.00 0.00 179.01 178.47 1xpu h LYS 249 N 0.27 0.34 -0.14 2.33 3.64 -1.01 -2.42 116.57 119.58 1xpu h LYS 249 Ca -0.06 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 58.99 1xpu h LYS 249 Cb 1.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1xpu h LYS 249 CO 0.15 0.59 -0.71 0.00 -2.27 0.00 0.00 179.45 177.21 1xpu h ALA 250 N 1.42 0.48 -0.65 5.00 0.00 -0.81 -3.15 119.26 121.55 1xpu h ALA 250 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1xpu h ALA 250 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xpu h ALA 250 CO 0.05 0.71 0.13 0.87 0.00 0.00 0.00 179.25 181.01 1xpu h LYS 251 N 0.44 1.04 -0.11 0.00 1.57 -0.26 -2.61 116.57 116.64 1xpu h LYS 251 Ca -0.03 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 1xpu h LYS 251 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1xpu h LYS 251 CO 0.14 0.94 -0.47 0.00 -0.57 0.00 0.00 179.45 179.49 1xpu h ARG 252 N 0.98 0.26 0.00 3.15 2.47 -1.50 -1.89 114.38 117.86 1xpu h ARG 252 Ca 0.20 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.66 1xpu h ARG 252 Cb 0.39 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1xpu h ARG 252 CO 0.01 0.68 -0.55 -0.07 0.56 0.00 0.00 179.97 180.60 1xpu h LEU 253 N 0.21 0.00 -0.36 3.04 3.38 -1.48 -2.60 115.31 117.50 1xpu h LEU 253 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1xpu h LEU 253 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1xpu h LEU 253 CO 0.07 0.55 -0.66 0.58 0.09 0.00 0.00 178.44 179.08 1xpu h VAL 254 N 0.00 1.32 0.00 1.22 2.07 -1.24 -2.43 116.25 117.18 1xpu h VAL 254 Ca -0.01 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1xpu h VAL 254 Cb 1.03 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1xpu h VAL 254 CO 0.07 0.60 0.00 -0.33 0.02 0.00 0.00 177.57 177.93 1xpu h GLU 255 N 0.45 0.00 -0.53 1.57 5.08 -1.09 -0.27 114.58 119.79 1xpu h GLU 255 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1xpu h GLU 255 Cb 1.24 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1xpu h GLU 255 CO 0.13 0.00 0.14 0.72 -1.00 0.00 0.00 179.01 179.00 1xpu n HIS 256 N -2.79 1.72 -3.17 4.33 8.25 -1.00 -4.67 115.22 117.89 1xpu n HIS 256 Ca -0.01 -1.31 -0.08 0.00 -0.26 0.00 0.00 57.72 56.06 1xpu n HIS 256 Cb 0.14 -0.56 0.04 0.00 1.12 0.00 0.00 29.99 30.73 1xpu n HIS 256 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xpu n LYS 257 N -0.65 -1.78 -4.05 -0.41 5.02 -0.11 -5.03 118.16 111.14 1xpu n LYS 257 Ca 0.36 1.16 -0.12 0.00 -2.02 0.00 0.00 58.31 57.68 1xpu n LYS 257 Cb 1.19 -5.74 -0.12 0.00 -0.02 0.00 0.00 35.03 30.34 1xpu n LYS 257 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xpu s LYS 258 N -3.76 0.47 -0.39 1.97 1.02 -0.93 -4.41 119.74 113.71 1xpu s LYS 258 Ca 0.24 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.28 1xpu s LYS 258 Cb -0.03 -0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1xpu s LYS 258 CO 0.75 0.03 0.91 -0.51 -0.92 0.00 0.00 175.35 175.61 1xpu s ASP 259 N -1.46 6.63 -0.15 2.83 1.01 -1.26 -1.81 116.67 122.45 1xpu s ASP 259 Ca -0.10 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.61 1xpu s ASP 259 Cb -0.09 -2.45 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1xpu s ASP 259 CO 0.00 -0.88 -0.11 -0.69 0.21 0.00 0.00 175.17 173.70 1xpu s VAL 260 N 3.50 3.12 -0.23 -1.27 1.01 0.88 -1.67 120.40 125.74 1xpu s VAL 260 Ca 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1xpu s VAL 260 Cb -0.12 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1xpu s VAL 260 CO 0.20 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 175.11 1xpu s ILE 261 N 0.66 3.12 -0.32 2.22 1.09 -0.77 -0.35 121.20 126.85 1xpu s ILE 261 Ca -0.06 -0.70 -0.10 0.00 -1.10 0.00 0.00 60.65 58.69 1xpu s ILE 261 Cb -0.15 -2.47 -0.01 0.00 -1.06 0.00 0.00 42.46 38.77 1xpu s ILE 261 CO 0.02 0.35 0.17 -0.63 -0.10 0.00 0.00 174.94 174.76 1xpu s ILE 262 N 1.42 4.70 -0.77 2.92 1.01 0.15 -0.07 121.20 130.55 1xpu s ILE 262 Ca 0.04 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1xpu s ILE 262 Cb -0.15 -3.42 0.17 0.00 0.01 0.00 0.00 42.46 39.07 1xpu s ILE 262 CO -0.04 0.03 0.81 -0.76 0.00 0.00 0.00 174.94 174.97 1xpu s LEU 263 N 1.62 6.03 0.01 2.97 1.43 0.56 -0.73 118.68 130.58 1xpu s LEU 263 Ca 0.05 -2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 50.72 1xpu s LEU 263 Cb -0.17 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1xpu s LEU 263 CO 0.07 -0.83 0.72 -0.22 0.23 0.00 0.00 176.35 176.33 1xpu s LEU 264 N 1.41 4.41 -0.37 1.79 2.96 -0.77 -0.86 118.68 127.24 1xpu s LEU 264 Ca 0.18 1.34 -0.16 0.00 -0.22 0.00 0.00 54.13 55.27 1xpu s LEU 264 Cb -0.14 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.40 1xpu s LEU 264 CO -0.05 -0.01 0.39 -0.62 -1.32 0.00 0.00 176.35 174.74 1xpu s ASP 265 N 0.15 6.18 -0.21 3.68 -1.08 0.17 -2.37 116.67 123.20 1xpu s ASP 265 Ca 0.37 -0.40 -0.11 0.00 -0.52 0.00 0.00 52.55 51.90 1xpu s ASP 265 Cb -0.19 -2.21 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1xpu s ASP 265 CO 0.21 -0.42 0.22 -1.54 0.52 0.00 0.00 175.17 174.15 1xpu n SER 266 N 5.45 -1.43 0.26 -0.34 3.41 -1.15 -3.58 113.62 116.25 1xpu n SER 266 Ca -0.08 1.37 0.15 0.00 -0.26 0.00 0.00 58.87 60.05 1xpu n SER 266 Cb 0.49 -5.29 0.61 0.00 -0.26 0.00 0.00 64.21 59.75 1xpu n SER 266 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1xpu h ILE 267 N 3.99 0.14 -0.38 -1.33 6.09 -1.49 -2.99 117.51 121.53 1xpu h ILE 267 Ca -0.50 -0.68 -0.16 0.00 -1.37 0.00 0.00 64.86 62.15 1xpu h ILE 267 Cb 1.12 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 40.00 1xpu h ILE 267 CO 0.02 0.05 -0.38 0.71 -3.07 0.00 0.00 178.15 175.49 1xpu h THR 268 N 0.00 1.27 0.00 2.19 1.35 -1.91 -0.94 112.91 114.87 1xpu h THR 268 Ca -0.00 -1.55 -0.11 0.00 -0.55 0.00 0.00 66.41 64.20 1xpu h THR 268 Cb 0.59 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1xpu h THR 268 CO 0.01 0.52 -0.51 0.03 -0.25 0.00 0.00 175.52 175.32 1xpu h ARG 269 N 0.74 0.00 -0.24 4.72 2.47 -1.86 -0.55 114.38 119.66 1xpu h ARG 269 Ca 0.06 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.58 1xpu h ARG 269 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1xpu h ARG 269 CO 0.09 0.51 -0.62 1.25 0.56 0.00 0.00 179.97 181.76 1xpu h LEU 270 N 0.00 0.94 -0.87 3.04 5.85 -1.46 -2.67 115.31 120.14 1xpu h LEU 270 Ca -0.01 -0.54 -0.11 0.00 0.84 0.00 0.00 57.88 58.07 1xpu h LEU 270 Cb 0.98 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1xpu h LEU 270 CO 0.07 1.33 -0.29 0.00 -0.34 0.00 0.00 178.44 179.20 1xpu h ALA 271 N 0.67 1.04 -0.16 1.25 0.00 -0.93 -1.17 119.26 119.96 1xpu h ALA 271 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1xpu h ALA 271 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xpu h ALA 271 CO 0.13 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.66 1xpu h ARG 272 N 0.43 0.30 -0.04 0.00 3.08 -1.12 -1.69 114.38 115.34 1xpu h ARG 272 Ca 0.06 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 1xpu h ARG 272 Cb 0.73 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.78 1xpu h ARG 272 CO 0.06 0.59 -0.85 0.00 -1.07 0.00 0.00 179.97 178.70 1xpu h ALA 273 N 1.42 0.16 -0.23 0.04 0.00 -1.15 -3.22 119.26 116.28 1xpu h ALA 273 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1xpu h ALA 273 Cb 0.68 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xpu h ALA 273 CO 0.05 0.59 0.09 1.88 0.00 0.00 0.00 179.25 181.86 1xpu h TYR 274 N 0.30 0.34 -0.92 0.00 0.05 -1.19 -2.81 116.97 112.75 1xpu h TYR 274 Ca -0.09 -0.02 0.17 0.00 0.05 0.00 0.00 58.73 58.83 1xpu h TYR 274 Cb 1.51 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 39.04 1xpu h TYR 274 CO 0.11 0.37 0.51 -0.97 -1.05 0.00 0.00 178.16 177.13 1xpu h ASN 275 N 0.22 0.63 1.55 3.88 -1.24 -1.38 -0.73 115.58 118.50 1xpu h ASN 275 Ca 0.08 0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.10 1xpu h ASN 275 Cb 0.17 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1xpu h ASN 275 CO -0.01 0.24 -0.40 0.71 -1.29 0.00 0.00 177.43 176.68 1xpu h THR 276 N 0.68 0.71 0.00 -3.57 1.35 -1.55 -3.34 112.91 107.18 1xpu h THR 276 Ca 0.51 -1.96 -0.19 0.00 -0.55 0.00 0.00 66.41 64.23 1xpu h THR 276 Cb 0.76 2.32 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 1xpu h THR 276 CO -0.38 0.40 -1.43 1.62 -0.25 0.00 0.00 175.52 175.48 1xpu h VAL 277 N 0.00 0.58 -3.53 6.82 3.04 -0.96 -3.45 116.25 118.75 1xpu h VAL 277 Ca -0.00 -2.14 -0.61 0.00 -1.01 0.00 0.00 66.70 62.93 1xpu h VAL 277 Cb 1.29 2.12 -0.13 0.00 -2.01 0.00 0.00 31.29 32.56 1xpu h VAL 277 CO 0.05 0.33 -0.38 -0.69 -1.01 0.00 0.00 177.57 175.88 1xpu s VAL 278 N -2.86 5.29 0.80 1.51 1.01 -0.40 -5.09 120.40 120.66 1xpu s VAL 278 Ca -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 1xpu s VAL 278 Cb 0.09 -3.59 0.20 0.00 0.00 0.00 0.00 36.38 33.07 1xpu s VAL 278 CO 0.81 0.31 0.62 -2.65 0.00 0.00 0.00 175.10 174.19 1xpu n PRO 279 N 4.35 -2.84 -0.58 2.72 -0.02 -1.26 -4.87 135.00 132.50 1xpu n PRO 279 Ca -0.12 -1.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.06 1xpu n PRO 279 Cb 0.52 -1.06 0.23 0.00 -0.02 0.00 0.00 33.50 33.17 1xpu n PRO 279 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xpu s ALA 280 N -2.67 0.09 0.04 3.55 0.00 -1.26 -4.95 121.76 116.56 1xpu s ALA 280 Ca 0.42 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1xpu s ALA 280 Cb -0.05 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1xpu s ALA 280 CO 0.34 -3.54 0.00 0.28 0.00 0.00 0.00 175.76 172.83 1xpu n VAL 284 N -4.73 -1.53 -3.55 0.00 0.31 -1.26 -4.98 118.33 102.59 1xpu n VAL 284 Ca 0.06 0.29 -0.37 0.00 -0.01 0.00 0.00 64.34 64.31 1xpu n VAL 284 Cb 0.53 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 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 -1.18 4.33 -0.46 7.52 1.43 -1.26 -3.45 118.68 125.60 1xpu s LEU 285 Ca 0.00 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1xpu s LEU 285 Cb 0.00 -2.42 0.23 0.00 0.03 0.00 0.00 46.19 44.03 1xpu s LEU 285 CO 0.00 0.19 0.52 0.41 0.23 0.00 0.00 176.35 177.70 1xpu n THR 286 N 2.91 -0.11 -2.90 5.49 -1.04 -0.55 -4.87 114.28 113.22 1xpu n THR 286 Ca -0.13 -4.17 -0.09 0.00 -2.04 0.00 0.00 64.05 57.62 1xpu n THR 286 Cb 0.52 -1.94 0.03 0.00 -1.82 0.00 0.00 70.33 67.13 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 1.63 0.34 0.18 3.41 0.00 -1.26 -3.82 105.19 105.67 1xpu n GLY 287 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.09 2.81 3.79 -0.02 0.00 -1.26 -4.20 105.19 105.22 1xpu n GLY 288 Ca -0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 3.60 -0.11 1.61 0.11 -1.25 -4.97 120.40 119.38 1xpu s VAL 289 Ca 0.00 1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 59.79 1xpu s VAL 289 Cb 0.00 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1xpu s VAL 289 CO 0.00 -0.19 0.93 -0.62 -3.33 0.00 0.00 175.10 171.89 1xpu s ASP 290 N -1.88 7.15 0.00 3.54 3.68 -1.26 -1.48 116.67 126.42 1xpu s ASP 290 Ca 0.68 1.41 0.06 0.00 2.13 0.00 0.00 52.55 56.82 1xpu s ASP 290 Cb -0.19 -2.52 0.25 0.00 -1.45 0.00 0.00 42.92 39.02 1xpu s ASP 290 CO 0.23 -0.40 1.13 0.00 0.13 0.00 0.00 175.17 176.26 1xpu n ALA 291 N 4.91 1.32 -0.06 3.66 0.00 -1.22 -1.55 120.51 127.56 1xpu n ALA 291 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1xpu n ALA 291 Cb 0.49 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1xpu n ALA 291 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xpu n ASN 292 N -1.43 0.14 0.20 0.00 2.85 -1.26 -4.37 115.26 111.39 1xpu n ASN 292 Ca 0.02 0.07 0.14 0.00 -0.11 0.00 0.00 54.58 54.70 1xpu n ASN 292 Cb 0.06 1.07 0.57 0.00 1.24 0.00 0.00 39.78 42.71 1xpu n ASN 292 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xpu h ALA 293 N 1.26 1.00 0.00 5.20 0.00 -1.65 -2.85 119.26 122.22 1xpu h ALA 293 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xpu h ALA 293 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1xpu h ALA 293 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1xpu n LEU 294 N -2.63 0.00 -0.26 0.00 4.77 -1.24 -3.27 117.00 114.37 1xpu n LEU 294 Ca 0.02 0.49 -0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1xpu n LEU 294 Cb 0.28 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1xpu n LEU 294 CO 0.24 -0.14 0.97 -0.74 -1.33 0.00 0.00 177.39 176.39 1xpu h HIS 295 N 0.00 1.20 0.11 -1.77 -0.00 -1.79 -3.08 115.15 109.81 1xpu h HIS 295 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1xpu h HIS 295 Cb 0.35 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1xpu h HIS 295 CO 0.00 0.96 -0.05 0.00 -0.00 0.00 0.00 177.93 178.83 1xpu h ARG 296 N 1.09 -0.14 -0.19 5.26 2.47 -1.79 -2.48 114.38 118.59 1xpu h ARG 296 Ca 0.23 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.87 1xpu h ARG 296 Cb 0.34 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1xpu h ARG 296 CO -0.00 0.10 -0.26 -1.35 0.56 0.00 0.00 179.97 179.02 1xpu h PRO 297 N -0.37 0.36 -0.68 0.04 0.11 -1.77 -2.13 132.00 127.56 1xpu h PRO 297 Ca -0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1xpu h PRO 297 Cb 0.31 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1xpu h PRO 297 CO 0.02 0.60 0.36 0.87 -0.21 0.00 0.00 178.00 179.64 1xpu h LYS 298 N 0.32 0.94 -0.05 1.05 1.57 -1.49 -0.22 116.57 118.69 1xpu h LYS 298 Ca 0.05 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 1xpu h LYS 298 Cb 0.63 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1xpu h LYS 298 CO 0.05 0.70 -0.78 0.00 -0.57 0.00 0.00 179.45 178.85 1xpu h ARG 299 N 0.95 0.35 -0.38 3.15 2.47 -1.18 0.36 114.38 120.10 1xpu h ARG 299 Ca 0.24 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1xpu h ARG 299 Cb 0.04 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1xpu h ARG 299 CO -0.04 0.97 0.18 0.35 0.56 0.00 0.00 179.97 181.99 1xpu h PHE 300 N 0.23 0.56 -0.08 3.04 3.57 -1.00 -2.80 116.94 120.45 1xpu h PHE 300 Ca -0.04 -0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.21 1xpu h PHE 300 Cb 1.36 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1xpu h PHE 300 CO 0.04 0.48 -0.81 0.35 -2.23 0.00 0.00 178.31 176.14 1xpu h PHE 301 N 0.48 0.98 0.00 0.41 -0.00 -1.00 -3.19 116.94 114.61 1xpu h PHE 301 Ca 0.13 -0.47 0.00 0.00 -0.00 0.00 0.00 57.97 57.63 1xpu h PHE 301 Cb 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1xpu h PHE 301 CO -0.01 1.30 0.00 0.41 -0.00 0.00 0.00 178.31 180.01 1xpu n GLY 302 N 0.86 -0.71 0.12 2.40 0.00 0.13 -2.60 105.19 105.38 1xpu n GLY 302 Ca -0.09 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1xpu n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpu h ALA 303 N 2.51 0.75 -2.23 4.61 0.00 -1.48 -3.46 119.26 119.96 1xpu h ALA 303 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1xpu h ALA 303 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xpu h ALA 303 CO 0.00 0.00 1.12 0.00 0.00 0.00 0.00 179.25 180.37 1xpu s ALA 304 N -3.20 3.53 -0.27 0.00 0.00 -1.07 -4.87 121.76 115.88 1xpu s ALA 304 Ca 0.06 0.90 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 1xpu s ALA 304 Cb 0.10 -3.78 0.08 0.00 0.00 0.00 0.00 23.12 19.53 1xpu s ALA 304 CO 0.70 -1.54 0.80 -0.98 0.00 0.00 0.00 175.76 174.73 1xpu s ARG 305 N 4.25 0.74 -0.07 0.00 1.70 0.47 -4.71 118.95 121.33 1xpu s ARG 305 Ca 0.76 0.92 -0.21 0.00 -0.47 0.00 0.00 55.73 56.73 1xpu s ARG 305 Cb -0.33 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.35 1xpu s ARG 305 CO 0.31 -0.09 0.59 1.21 -1.08 0.00 0.00 175.30 176.23 1xpu s ASN 306 N 0.47 6.87 0.02 -2.89 2.47 -1.26 -0.56 114.94 120.06 1xpu s ASN 306 Ca -0.00 1.04 0.05 0.00 0.42 0.00 0.00 52.86 54.36 1xpu s ASN 306 Cb -0.05 -2.35 -0.03 0.00 -1.45 0.00 0.00 41.25 37.36 1xpu s ASN 306 CO -0.03 -0.02 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.55 1xpu s VAL 307 N 0.48 3.39 0.34 -5.21 1.01 -1.10 -3.55 120.40 115.77 1xpu s VAL 307 Ca 0.32 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1xpu s VAL 307 Cb -0.17 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1xpu s VAL 307 CO 0.15 0.35 1.79 -0.33 0.00 0.00 0.00 175.10 177.07 1xpu h GLU 308 N 4.45 0.20 0.00 2.72 5.08 -1.12 -3.08 114.58 122.82 1xpu h GLU 308 Ca -0.48 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 1xpu h GLU 308 Cb 1.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1xpu h GLU 308 CO 0.52 0.49 -0.14 0.93 -1.00 0.00 0.00 179.01 179.82 1xpu h GLU 309 N 0.17 0.00 0.00 2.33 4.39 -1.96 -3.47 114.58 116.04 1xpu h GLU 309 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xpu h GLU 309 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1xpu h GLU 309 CO 0.05 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1xpu n GLY 310 N -0.95 4.49 0.32 -3.84 0.00 -1.16 -4.94 105.19 99.10 1xpu n GLY 310 Ca -0.02 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.48 -1.51 3.61 -0.02 0.00 -1.26 -4.21 105.19 100.32 1xpu n GLY 311 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1xpu n GLY 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xpu s SER 312 N -3.49 -0.23 -0.21 1.61 1.04 -0.75 -2.69 113.70 108.98 1xpu s SER 312 Ca 0.00 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1xpu s SER 312 Cb 0.00 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.79 1xpu s SER 312 CO 0.00 -1.14 -0.04 -0.22 0.98 0.00 0.00 173.24 172.82 1xpu s LEU 313 N -2.92 2.06 -0.14 2.42 2.96 0.27 -0.08 118.68 123.25 1xpu s LEU 313 Ca 0.13 -0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 1xpu s LEU 313 Cb -0.02 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1xpu s LEU 313 CO 0.02 -0.22 -0.12 0.42 -1.32 0.00 0.00 176.35 175.13 1xpu s THR 314 N 1.53 3.15 -0.18 3.68 -4.23 0.53 -0.40 115.64 119.72 1xpu s THR 314 Ca -0.03 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1xpu s THR 314 Cb -0.17 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1xpu s THR 314 CO -0.07 0.52 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.70 1xpu s ILE 315 N 0.39 2.08 -0.47 2.99 1.01 -0.94 0.30 121.20 126.55 1xpu s ILE 315 Ca -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 1xpu s ILE 315 Cb -0.16 -1.89 0.12 0.00 0.01 0.00 0.00 42.46 40.55 1xpu s ILE 315 CO 0.05 0.51 0.29 -0.63 0.00 0.00 0.00 174.94 175.15 1xpu s ILE 316 N 1.28 3.58 -0.07 2.92 1.01 0.09 0.38 121.20 130.39 1xpu s ILE 316 Ca 0.04 -2.21 -0.00 0.00 0.00 0.00 0.00 60.65 58.48 1xpu s ILE 316 Cb -0.13 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1xpu s ILE 316 CO -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 174.94 174.04 1xpu s ALA 317 N 0.91 3.17 -0.07 9.38 0.00 -0.18 -1.85 121.76 133.12 1xpu s ALA 317 Ca 0.10 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 1xpu s ALA 317 Cb -0.23 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1xpu s ALA 317 CO -0.03 0.59 0.54 0.95 0.00 0.00 0.00 175.76 177.80 1xpu s THR 318 N -0.88 5.07 -0.12 0.00 -4.23 -1.00 -1.10 115.64 113.37 1xpu s THR 318 Ca 0.14 1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 61.71 1xpu s THR 318 Cb -0.11 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1xpu s THR 318 CO 0.03 0.36 0.02 0.00 -0.54 0.00 0.00 174.62 174.50 1xpu s ALA 319 N 0.26 3.32 -0.28 3.99 0.00 0.09 -1.29 121.76 127.86 1xpu s ALA 319 Ca 0.29 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 1xpu s ALA 319 Cb -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1xpu s ALA 319 CO 0.14 0.43 0.12 -0.51 0.00 0.00 0.00 175.76 175.93 1xpu s LEU 320 N -0.37 3.76 0.26 0.00 1.02 -1.26 -1.13 118.68 120.96 1xpu s LEU 320 Ca 0.08 -0.30 0.09 0.00 0.02 0.00 0.00 54.13 54.01 1xpu s LEU 320 Cb -0.12 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1xpu s LEU 320 CO 0.02 -0.10 0.07 -0.51 0.02 0.00 0.00 176.35 175.85 1xpu s ILE 321 N 1.63 3.81 -0.99 -0.59 2.07 -0.95 -4.78 121.20 121.40 1xpu s ILE 321 Ca 0.06 -1.72 -0.02 0.00 -1.41 0.00 0.00 60.65 57.56 1xpu s ILE 321 Cb -0.16 -3.04 -0.03 0.00 0.13 0.00 0.00 42.46 39.36 1xpu s ILE 321 CO 0.06 -0.36 0.84 0.47 -1.91 0.00 0.00 174.94 174.04 1xpu n ASP 322 N -0.97 -3.70 -0.11 4.50 8.00 -1.26 -4.03 116.55 118.98 1xpu n ASP 322 Ca -0.07 -0.57 -0.13 0.00 0.71 0.00 0.00 54.79 54.72 1xpu n ASP 322 Cb 0.58 -4.55 -0.12 0.00 -0.02 0.00 0.00 41.12 37.01 1xpu n ASP 322 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xpu n THR 323 N -3.42 1.31 0.00 -3.53 -1.04 -1.26 -4.55 114.28 101.78 1xpu n THR 323 Ca -0.17 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1xpu n THR 323 Cb 0.63 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1xpu n THR 323 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xpu n GLY 324 N 2.19 2.13 3.63 3.41 0.00 -1.26 -5.05 105.19 110.24 1xpu n GLY 324 Ca -0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.22 6.29 0.54 1.61 0.15 -1.26 -4.88 113.70 115.94 1xpu s SER 325 Ca 0.00 1.93 0.21 0.00 0.70 0.00 0.00 55.95 58.78 1xpu s SER 325 Cb 0.00 -2.53 1.45 0.00 -1.71 0.00 0.00 66.02 63.23 1xpu s SER 325 CO 0.00 -1.28 2.17 0.11 1.20 0.00 0.00 173.24 175.44 1xpu h LYS 326 N 11.19 0.00 0.00 5.44 1.57 -1.97 -1.30 116.57 131.50 1xpu h LYS 326 Ca -0.38 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.24 1xpu h LYS 326 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1xpu h LYS 326 CO 0.98 0.00 -0.90 0.00 -0.57 0.00 0.00 179.45 178.96 1xpu h MET 327 N 0.00 0.00 0.00 3.15 -0.00 -1.90 -3.08 114.93 113.10 1xpu h MET 327 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.66 1xpu h MET 327 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 1xpu h MET 327 CO -0.00 0.61 -0.25 -0.44 -0.00 0.00 0.00 176.91 176.82 1xpu h ASP 328 N 0.00 0.00 0.39 -0.10 3.32 -1.61 -0.77 116.42 117.65 1xpu h ASP 328 Ca -0.05 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1xpu h ASP 328 Cb 1.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1xpu h ASP 328 CO 0.08 0.25 -0.78 -0.33 -1.72 0.00 0.00 179.24 176.74 1xpu h GLU 329 N 0.00 0.31 -0.24 3.56 4.39 -1.52 -3.02 114.58 118.06 1xpu h GLU 329 Ca -0.00 -0.28 -0.16 0.00 0.34 0.00 0.00 59.36 59.25 1xpu h GLU 329 Cb 0.45 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xpu h GLU 329 CO 0.03 0.95 -0.51 0.28 -1.16 0.00 0.00 179.01 178.60 1xpu h VAL 330 N 0.20 1.30 -0.34 3.13 2.07 -1.30 -2.83 116.25 118.47 1xpu h VAL 330 Ca -0.04 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.68 1xpu h VAL 330 Cb 1.37 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1xpu h VAL 330 CO 0.13 0.55 -0.07 0.40 0.02 0.00 0.00 177.57 178.60 1xpu h ILE 331 N 0.53 1.27 -0.25 4.57 2.04 -1.21 -2.80 117.51 121.66 1xpu h ILE 331 Ca 0.02 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1xpu h ILE 331 Cb 1.07 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1xpu h ILE 331 CO 0.10 0.36 0.15 0.22 0.00 0.00 0.00 178.15 178.99 1xpu h TYR 332 N 0.44 0.33 -0.05 1.37 3.20 -1.56 -2.53 116.97 118.17 1xpu h TYR 332 Ca 0.09 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1xpu h TYR 332 Cb 0.56 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1xpu h TYR 332 CO 0.05 0.22 -0.33 0.93 -1.64 0.00 0.00 178.16 177.39 1xpu h GLU 333 N 0.35 0.09 -0.46 1.82 4.39 -1.24 -1.55 114.58 117.98 1xpu h GLU 333 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1xpu h GLU 333 Cb -0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1xpu h GLU 333 CO -0.02 0.41 0.00 0.39 -1.16 0.00 0.00 179.01 178.64 1xpu n GLU 334 N -4.13 2.07 0.00 2.33 -0.58 -0.96 -4.14 120.64 115.24 1xpu n GLU 334 Ca -0.02 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 55.06 1xpu n GLU 334 Cb 0.39 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 0.85 0.00 -1.63 -0.32 0.99 -1.12 -4.97 117.46 111.26 1xpu n PHE 335 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.18 1xpu n PHE 335 Cb 0.39 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.84 1xpu n PHE 335 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1xpu n LYS 336 N -1.20 2.41 0.00 -1.08 0.00 -0.60 -2.19 118.16 115.50 1xpu n LYS 336 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 58.31 59.11 1xpu n LYS 336 Cb 0.22 -3.09 0.00 0.00 0.00 0.00 0.00 35.03 32.17 1xpu n LYS 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xpu n GLY 337 N 5.13 1.99 0.20 3.14 0.00 -1.26 -4.93 105.19 109.46 1xpu n GLY 337 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 1.30 -2.76 2.61 1.35 -1.82 -3.43 112.91 110.16 1xpu h THR 338 Ca 0.00 -1.31 -0.53 0.00 -0.55 0.00 0.00 66.41 64.02 1xpu h THR 338 Cb 0.00 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1xpu h THR 338 CO 0.00 0.42 0.94 -0.83 -0.25 0.00 0.00 175.52 175.79 1xpu s GLY 339 N -3.53 1.64 0.00 5.82 0.00 -1.25 -4.87 107.32 105.12 1xpu s GLY 339 Ca -0.13 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1xpu s GLY 339 CO 0.81 2.75 0.31 1.16 0.00 0.00 0.00 173.10 178.13 1xpu n ASN 340 N 5.29 0.41 -3.59 1.64 6.94 -1.12 -4.39 115.26 120.44 1xpu n ASN 340 Ca 0.15 -1.03 -0.02 0.00 -0.02 0.00 0.00 54.58 53.66 1xpu n ASN 340 Cb 0.41 -0.20 -0.05 0.00 -2.36 0.00 0.00 39.78 37.58 1xpu n ASN 340 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1xpu s MET 341 N -1.21 0.51 -0.03 -3.83 0.00 -1.18 -1.52 119.30 112.04 1xpu s MET 341 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 55.69 56.86 1xpu s MET 341 Cb 0.00 0.55 0.02 0.00 0.00 0.00 0.00 34.83 35.40 1xpu s MET 341 CO 0.00 -0.15 -0.03 -1.83 0.00 0.00 0.00 175.02 173.00 1xpu s GLU 342 N 2.39 0.61 -0.23 4.11 -1.05 -0.86 -0.78 118.70 122.87 1xpu s GLU 342 Ca -0.06 -0.07 -0.01 0.00 -0.15 0.00 0.00 54.97 54.68 1xpu s GLU 342 Cb -0.08 -0.66 0.03 0.00 -0.44 0.00 0.00 34.13 32.98 1xpu s GLU 342 CO -0.18 -0.06 -0.09 -1.17 0.95 0.00 0.00 175.26 174.70 1xpu s LEU 343 N 0.75 2.99 -0.31 1.83 0.20 0.17 -2.14 118.68 122.17 1xpu s LEU 343 Ca -0.09 -0.87 -0.18 0.00 0.69 0.00 0.00 54.13 53.68 1xpu s LEU 343 Cb -0.12 -1.62 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1xpu s LEU 343 CO -0.00 -0.10 0.53 -1.00 -0.29 0.00 0.00 176.35 175.48 1xpu s HIS 344 N 1.30 3.21 0.39 5.38 3.76 -1.26 -0.76 115.29 127.31 1xpu s HIS 344 Ca 0.00 0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 55.16 1xpu s HIS 344 Cb -0.16 -2.86 -0.10 0.00 1.11 0.00 0.00 32.58 30.57 1xpu s HIS 344 CO -0.06 -0.43 0.85 -0.51 -0.85 0.00 0.00 174.74 173.73 1xpu s LEU 345 N 2.40 3.96 0.00 0.89 1.43 0.11 0.10 118.68 127.58 1xpu s LEU 345 Ca 0.21 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 1xpu s LEU 345 Cb -0.15 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 1xpu s LEU 345 CO 0.12 -0.31 -0.19 -0.55 0.23 0.00 0.00 176.35 175.65 1xpu s SER 346 N -2.36 2.20 0.26 2.29 0.15 0.28 -4.39 113.70 112.13 1xpu s SER 346 Ca 0.58 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1xpu s SER 346 Cb -0.10 -0.22 0.36 0.00 -1.71 0.00 0.00 66.02 64.35 1xpu s SER 346 CO 0.18 0.20 1.71 -0.09 1.20 0.00 0.00 173.24 176.44 1xpu h ARG 347 N 5.46 0.58 -0.19 5.44 2.43 -1.90 -3.02 114.38 123.18 1xpu h ARG 347 Ca -0.39 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.59 1xpu h ARG 347 Cb 1.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1xpu h ARG 347 CO 0.47 0.75 0.06 0.87 -1.51 0.00 0.00 179.97 180.61 1xpu h LYS 348 N 0.51 0.15 -0.18 0.20 1.57 -1.96 0.21 116.57 117.06 1xpu h LYS 348 Ca 0.08 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1xpu h LYS 348 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xpu h LYS 348 CO 0.05 0.10 -0.55 0.82 -0.57 0.00 0.00 179.45 179.29 1xpu h ILE 349 N 0.15 1.32 -0.39 1.86 1.08 -1.85 -2.82 117.51 116.86 1xpu h ILE 349 Ca 0.08 -1.81 -0.13 0.00 -0.39 0.00 0.00 64.86 62.62 1xpu h ILE 349 Cb 0.06 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 1xpu h ILE 349 CO -0.09 0.56 -0.27 0.00 -0.69 0.00 0.00 178.15 177.66 1xpu h ALA 350 N 0.98 0.79 -0.09 1.87 0.00 -1.36 -1.88 119.26 119.57 1xpu h ALA 350 Ca 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1xpu h ALA 350 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xpu h ALA 350 CO 0.10 0.65 -0.24 0.93 0.00 0.00 0.00 179.25 180.69 1xpu h GLU 351 N 0.69 0.16 -0.65 0.00 5.08 -0.51 -2.85 114.58 116.51 1xpu h GLU 351 Ca 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1xpu h GLU 351 Cb 0.81 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1xpu h GLU 351 CO 0.07 0.40 0.06 1.63 -1.00 0.00 0.00 179.01 180.17 1xpu n LYS 352 N -4.20 4.43 -0.82 2.33 5.02 -1.07 -4.94 118.16 118.91 1xpu n LYS 352 Ca -0.01 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1xpu n LYS 352 Cb 0.33 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xpu n ARG 353 N 0.43 -0.87 -3.10 1.97 5.12 -1.08 -4.92 116.66 114.21 1xpu n ARG 353 Ca 0.29 0.22 -0.45 0.00 -1.93 0.00 0.00 57.85 55.98 1xpu n ARG 353 Cb 1.19 -4.36 -0.03 0.00 -1.16 0.00 0.00 32.46 28.10 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xpu s VAL 354 N -1.39 4.99 0.00 1.55 1.01 -0.72 -5.01 120.40 120.82 1xpu s VAL 354 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1xpu s VAL 354 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1xpu s VAL 354 CO 0.00 -1.23 0.00 0.49 0.00 0.00 0.00 175.10 174.36 1xpu n PHE 355 N 5.82 0.00 -0.06 5.22 3.72 -1.26 -4.18 117.46 126.71 1xpu n PHE 355 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1xpu n PHE 355 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1xpu n PHE 355 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xpu n PRO 356 N 0.00 0.00 -0.01 -1.08 -0.01 -1.26 -4.58 135.00 128.06 1xpu n PRO 356 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1xpu n PRO 356 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 33.50 33.49 1xpu n PRO 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1xpu n ALA 357 N 0.02 1.18 -2.57 3.55 0.00 -1.26 -4.75 120.51 116.67 1xpu n ALA 357 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1xpu n ALA 357 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.21 1xpu n ALA 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xpu s ILE 358 N 2.74 4.66 -0.87 0.00 1.09 -1.26 -0.56 121.20 127.00 1xpu s ILE 358 Ca 0.01 0.78 -0.25 0.00 -1.10 0.00 0.00 60.65 60.09 1xpu s ILE 358 Cb 0.00 -4.28 -0.03 0.00 -1.06 0.00 0.00 42.46 37.09 1xpu s ILE 358 CO 0.00 -0.57 1.86 -0.62 -0.10 0.00 0.00 174.94 175.52 1xpu s ASP 359 N 1.97 5.34 0.23 3.58 2.15 0.12 -4.85 116.67 125.21 1xpu s ASP 359 Ca 0.32 -0.61 -0.07 0.00 0.43 0.00 0.00 52.55 52.62 1xpu s ASP 359 Cb -0.12 -2.56 0.27 0.00 -0.30 0.00 0.00 42.92 40.21 1xpu s ASP 359 CO 0.20 -2.53 1.86 0.22 -0.17 0.00 0.00 175.17 174.74 1xpu h TYR 360 N 11.64 0.94 0.00 -5.34 3.20 -1.92 -1.96 116.97 123.54 1xpu h TYR 360 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xpu h TYR 360 Cb 1.03 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1xpu h TYR 360 CO 1.20 0.51 0.00 0.09 -1.64 0.00 0.00 178.16 178.32 1xpu n ASN 361 N -4.62 0.00 -0.00 -2.11 3.02 -1.26 -2.73 115.26 107.56 1xpu n ASN 361 Ca 0.10 0.49 0.03 0.00 -0.03 0.00 0.00 54.58 55.18 1xpu n ASN 361 Cb 0.13 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1xpu n ASN 361 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1xpu n ARG 362 N -1.50 3.65 -1.90 3.52 0.63 -1.01 -5.03 116.66 115.03 1xpu n ARG 362 Ca 0.05 -0.02 -0.29 0.00 -0.92 0.00 0.00 57.85 56.67 1xpu n ARG 362 Cb 0.24 -0.89 0.14 0.00 0.45 0.00 0.00 32.46 32.40 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 -1.91 3.68 0.00 6.15 0.01 -0.77 -4.73 113.70 116.14 1xpu s SER 363 Ca 0.01 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1xpu s SER 363 Cb 0.05 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1xpu s SER 363 CO 0.26 -2.40 0.00 0.61 0.41 0.00 0.00 173.24 172.12 1xpu n GLY 364 N -3.50 1.86 3.27 3.44 0.00 -0.91 -4.94 105.19 104.41 1xpu n GLY 364 Ca 0.12 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 1xpu n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpu s THR 365 N -1.43 1.62 0.25 2.61 -4.23 -1.26 -2.03 115.64 111.18 1xpu s THR 365 Ca 0.00 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.72 1xpu s THR 365 Cb 0.00 -1.52 -0.09 0.00 1.34 0.00 0.00 72.50 72.23 1xpu s THR 365 CO 0.00 -0.13 0.81 -0.60 -0.54 0.00 0.00 174.62 174.16 1xpu s ARG 366 N -2.02 4.42 -0.90 3.99 3.52 -0.58 -4.17 118.95 123.20 1xpu s ARG 366 Ca 0.06 1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 56.68 1xpu s ARG 366 Cb -0.09 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1xpu s ARG 366 CO 0.04 0.38 0.75 1.63 -0.81 0.00 0.00 175.30 177.29 1xpu n LYS 367 N 0.78 -1.51 0.13 5.12 5.02 -1.26 -4.92 118.16 121.51 1xpu n LYS 367 Ca -0.01 1.02 0.13 0.00 -2.02 0.00 0.00 58.31 57.43 1xpu n LYS 367 Cb 0.50 -4.84 0.37 0.00 -0.02 0.00 0.00 35.03 31.04 1xpu n LYS 367 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1xpu h GLU 368 N -0.50 0.00 0.00 1.97 4.81 -1.98 -3.32 114.58 115.56 1xpu h GLU 368 Ca -0.37 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.76 1xpu h GLU 368 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1xpu h GLU 368 CO 0.38 0.00 -0.45 1.05 -0.73 0.00 0.00 179.01 179.26 1xpu h GLU 369 N 0.00 0.00 0.00 1.92 9.09 -1.91 -3.25 114.58 120.43 1xpu h GLU 369 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xpu h GLU 369 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 1xpu h GLU 369 CO 0.00 0.45 -0.19 -0.07 0.05 0.00 0.00 179.01 179.24 1xpu h LEU 370 N 0.00 0.00 0.00 3.06 3.38 -1.85 -3.20 115.31 116.69 1xpu h LEU 370 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1xpu h LEU 370 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1xpu h LEU 370 CO 0.06 0.03 -1.46 0.18 0.09 0.00 0.00 178.44 177.33 1xpu n LEU 371 N -2.30 0.71 -4.60 1.67 4.77 -1.23 -4.64 117.00 111.38 1xpu n LEU 371 Ca 0.05 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 1xpu n LEU 371 Cb 0.44 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1xpu n LEU 371 CO 0.32 0.09 -0.34 0.42 -1.33 0.00 0.00 177.39 176.55 1xpu s THR 372 N -3.04 2.61 0.44 -5.08 -4.23 -1.21 -4.51 115.64 100.62 1xpu s THR 372 Ca -0.03 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.29 1xpu s THR 372 Cb 0.09 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 1xpu s THR 372 CO 0.82 -0.24 0.85 0.42 -0.54 0.00 0.00 174.62 175.93 1xpu s THR 373 N -2.52 4.69 0.39 3.99 -4.23 -1.26 -4.84 115.64 111.86 1xpu s THR 373 Ca 0.33 0.85 0.10 0.00 -1.18 0.00 0.00 61.69 61.80 1xpu s THR 373 Cb -0.01 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.43 1xpu s THR 373 CO 0.18 -0.58 1.95 1.56 -0.54 0.00 0.00 174.62 177.19 1xpu h GLN 374 N 1.15 0.56 0.00 3.99 4.20 -1.98 0.71 115.11 123.75 1xpu h GLN 374 Ca -0.47 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.13 1xpu h GLN 374 Cb 1.19 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1xpu h GLN 374 CO 0.63 0.37 -0.37 1.49 -0.67 0.00 0.00 178.83 180.28 1xpu h GLU 375 N 0.58 0.00 0.05 1.46 4.57 -2.00 -2.49 114.58 116.74 1xpu h GLU 375 Ca 0.33 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.16 1xpu h GLU 375 Cb 0.51 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 1xpu h GLU 375 CO -0.11 0.37 -2.08 -1.91 -1.18 0.00 0.00 179.01 174.09 1xpu n GLU 376 N -3.91 0.69 -0.17 1.92 2.13 -0.22 -3.86 120.64 117.23 1xpu n GLU 376 Ca -0.02 0.21 -0.08 0.00 0.66 0.00 0.00 57.16 57.93 1xpu n GLU 376 Cb 0.42 -1.66 0.01 0.00 0.27 0.00 0.00 31.44 30.49 1xpu n GLU 376 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1xpu h LEU 377 N 0.03 0.64 -0.33 4.31 5.85 0.35 0.03 115.31 126.19 1xpu h LEU 377 Ca -0.44 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1xpu h LEU 377 Cb 2.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1xpu h LEU 377 CO 0.04 0.57 0.22 1.56 -0.34 0.00 0.00 178.44 180.49 1xpu h GLN 378 N 0.66 0.45 -0.89 1.25 4.20 -1.65 -1.59 115.11 117.53 1xpu h GLN 378 Ca 0.17 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1xpu h GLN 378 Cb 0.09 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1xpu h GLN 378 CO -0.02 0.31 0.58 0.87 -0.67 0.00 0.00 178.83 179.89 1xpu h LYS 379 N 0.45 0.97 0.08 1.46 1.57 -1.59 -1.55 116.57 117.95 1xpu h LYS 379 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xpu h LYS 379 Cb -0.03 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1xpu h LYS 379 CO -0.03 0.64 -0.04 0.52 -0.57 0.00 0.00 179.45 179.98 1xpu h MET 380 N 1.00 -0.10 0.00 3.15 2.86 -0.53 -2.80 114.93 118.51 1xpu h MET 380 Ca 0.39 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1xpu h MET 380 Cb 0.22 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xpu h MET 380 CO -0.15 0.19 0.00 0.91 1.06 0.00 0.00 176.91 178.92 1xpu n TRP 381 N -5.00 0.60 -0.02 -0.22 7.02 -0.64 -2.08 117.44 117.09 1xpu n TRP 381 Ca -0.08 0.20 -0.13 0.00 -1.02 0.00 0.00 57.50 56.47 1xpu n TRP 381 Cb 0.18 -0.83 -0.10 0.00 -2.42 0.00 0.00 31.31 28.14 1xpu n TRP 381 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1xpu h ILE 382 N 0.00 1.43 0.00 -0.99 1.08 -1.28 -3.15 117.51 114.60 1xpu h ILE 382 Ca 0.00 -1.41 -0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1xpu h ILE 382 Cb 0.50 2.37 -0.00 0.00 -3.07 0.00 0.00 36.82 36.62 1xpu h ILE 382 CO 0.00 0.36 -0.00 0.25 -0.69 0.00 0.00 178.15 178.07 1xpu h LEU 383 N -0.64 0.00 0.11 1.44 6.46 -1.18 -1.49 115.31 120.01 1xpu h LEU 383 Ca -0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.49 1xpu h LEU 383 Cb 0.61 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1xpu h LEU 383 CO 0.00 0.00 -1.23 -0.09 -0.62 0.00 0.00 178.44 176.51 1xpu h ARG 384 N 0.00 0.24 0.00 1.25 2.43 -1.48 -3.12 114.38 113.69 1xpu h ARG 384 Ca -0.00 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1xpu h ARG 384 Cb 0.13 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1xpu h ARG 384 CO 0.00 1.19 -0.02 0.87 -1.51 0.00 0.00 179.97 180.50 1xpu h LYS 385 N 0.06 0.00 0.00 0.20 1.57 -1.24 -2.12 116.57 115.04 1xpu h LYS 385 Ca -0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1xpu h LYS 385 Cb 1.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 1xpu h LYS 385 CO 0.19 0.02 -0.62 -0.84 -0.57 0.00 0.00 179.45 177.63 1xpu h ILE 386 N 0.00 0.10 0.00 1.86 3.07 -1.53 -3.37 117.51 117.64 1xpu h ILE 386 Ca -0.00 -1.16 -0.26 0.00 1.55 0.00 0.00 64.86 64.99 1xpu h ILE 386 Cb 0.84 1.79 -0.05 0.00 -0.27 0.00 0.00 36.82 39.14 1xpu h ILE 386 CO 0.00 0.06 -2.08 -0.38 -1.05 0.00 0.00 178.15 174.70 1xpu n ILE 387 N -2.89 1.14 -0.28 0.16 5.41 -1.16 -4.59 119.36 117.15 1xpu n ILE 387 Ca 0.01 -0.76 0.05 0.00 1.00 0.00 0.00 62.75 63.05 1xpu n ILE 387 Cb 0.58 -0.50 0.15 0.00 -0.71 0.00 0.00 39.64 39.16 1xpu n ILE 387 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1xpu h HIS 388 N 0.00 -0.23 0.00 1.39 2.76 -1.55 0.88 115.15 118.40 1xpu h HIS 388 Ca -0.36 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1xpu h HIS 388 Cb 1.90 0.23 0.00 0.00 1.55 0.00 0.00 27.41 31.09 1xpu h HIS 388 CO 0.00 -0.32 0.00 -2.30 -1.30 0.00 0.00 177.93 174.01 1xpu n PRO 389 N -5.45 0.09 -2.58 5.26 -0.02 -1.26 -4.84 135.00 126.20 1xpu n PRO 389 Ca 0.14 0.33 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 1xpu n PRO 389 Cb 0.48 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.15 4.05 0.57 -0.52 -1.94 0.30 -5.04 119.30 113.57 1xpu s MET 390 Ca 0.06 1.42 -0.17 0.00 -1.71 0.00 0.00 55.69 55.28 1xpu s MET 390 Cb 0.10 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 1xpu s MET 390 CO 0.33 -0.22 1.07 0.20 -0.01 0.00 0.00 175.02 176.39 1xpu s GLY 391 N -1.77 2.28 0.15 -0.03 0.00 -1.26 -4.74 107.32 101.95 1xpu s GLY 391 Ca 0.61 0.52 -0.29 0.00 0.00 0.00 0.00 44.72 45.56 1xpu s GLY 391 CO 0.23 0.85 1.56 0.83 0.00 0.00 0.00 173.10 176.57 1xpu h GLU 392 N 0.73 -0.31 -0.18 2.90 5.08 -1.98 0.67 114.58 121.49 1xpu h GLU 392 Ca -0.48 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1xpu h GLU 392 Cb 1.23 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1xpu h GLU 392 CO 0.57 -0.21 -0.41 0.82 -1.00 0.00 0.00 179.01 178.78 1xpu h ILE 393 N -0.32 1.31 -0.32 3.13 5.03 -1.93 -3.01 117.51 121.38 1xpu h ILE 393 Ca 0.13 -1.57 -0.14 0.00 -0.12 0.00 0.00 64.86 63.15 1xpu h ILE 393 Cb 0.58 1.62 -0.00 0.00 -3.03 0.00 0.00 36.82 35.99 1xpu h ILE 393 CO -0.62 0.48 -0.36 0.44 -0.68 0.00 0.00 178.15 177.41 1xpu h ASP 394 N 0.35 0.88 0.01 1.72 3.32 -1.67 -2.76 116.42 118.27 1xpu h ASP 394 Ca 0.03 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1xpu h ASP 394 Cb 0.88 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1xpu h ASP 394 CO 0.07 1.18 -0.07 0.00 -1.72 0.00 0.00 179.24 178.71 1xpu h ALA 395 N 0.72 1.68 0.08 3.45 0.00 0.39 -1.38 119.26 124.20 1xpu h ALA 395 Ca 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1xpu h ALA 395 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xpu h ALA 395 CO 0.09 0.24 -0.45 1.98 0.00 0.00 0.00 179.25 181.11 1xpu h MET 396 N 0.16 0.16 -0.85 0.00 1.85 -1.53 -2.97 114.93 111.75 1xpu h MET 396 Ca 0.04 -0.28 0.08 0.00 -0.61 0.00 0.00 59.70 58.93 1xpu h MET 396 Cb 0.23 0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.31 1xpu h MET 396 CO 0.01 1.13 0.55 0.93 -0.40 0.00 0.00 176.91 179.14 1xpu h GLU 397 N -0.66 0.85 -0.43 0.39 5.08 -1.40 -1.49 114.58 116.92 1xpu h GLU 397 Ca -0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1xpu h GLU 397 Cb 1.35 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1xpu h GLU 397 CO 0.08 0.56 0.16 0.35 -1.00 0.00 0.00 179.01 179.16 1xpu h PHE 398 N 0.88 0.67 0.02 4.33 3.57 -1.32 -0.15 116.94 124.94 1xpu h PHE 398 Ca 0.38 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1xpu h PHE 398 Cb 0.33 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1xpu h PHE 398 CO -0.00 0.59 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.59 1xpu h LEU 399 N 0.56 -0.02 -0.71 0.59 3.38 -1.27 -2.47 115.31 115.36 1xpu h LEU 399 Ca 0.14 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1xpu h LEU 399 Cb 0.22 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xpu h LEU 399 CO -0.01 0.36 0.31 0.40 0.09 0.00 0.00 178.44 179.59 1xpu h ILE 400 N -0.41 1.24 -0.75 1.22 2.04 -1.32 0.44 117.51 119.97 1xpu h ILE 400 Ca -0.00 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1xpu h ILE 400 Cb 0.39 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1xpu h ILE 400 CO 0.00 0.30 0.49 -1.13 0.00 0.00 0.00 178.15 177.81 1xpu h ASN 401 N 1.01 0.83 0.23 1.72 -1.24 -1.05 -2.07 115.58 115.01 1xpu h ASN 401 Ca 0.24 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.14 1xpu h ASN 401 Cb 0.18 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1xpu h ASN 401 CO -0.02 0.59 -1.86 0.29 -1.29 0.00 0.00 177.43 175.14 1xpu n LYS 402 N -4.59 0.65 0.09 6.67 5.02 -0.93 -4.16 118.16 120.91 1xpu n LYS 402 Ca 0.08 -0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1xpu n LYS 402 Cb 0.04 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.36 1xpu n LYS 402 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xpu h LEU 403 N 0.00 0.37 -4.39 -0.35 6.46 -0.18 -3.35 115.31 113.88 1xpu h LEU 403 Ca -0.12 -0.35 -0.25 0.00 -0.12 0.00 0.00 57.88 57.03 1xpu h LEU 403 Cb 1.31 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1xpu h LEU 403 CO 0.01 1.22 0.57 0.00 -0.62 0.00 0.00 178.44 179.62 1xpu n ALA 404 N -2.50 5.72 0.00 1.25 0.00 -0.78 -2.79 120.51 121.40 1xpu n ALA 404 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1xpu n ALA 404 Cb 0.92 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 2.86 4.44 0.00 0.00 2.81 -1.26 -5.00 117.12 120.97 1xpu n MET 405 Ca 0.43 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1xpu n MET 405 Cb 0.64 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 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 -0.33 0.00 0.00 2.03 -2.24 -1.12 -5.11 114.28 107.51 1xpu n THR 406 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xpu n THR 406 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 5.02 -1.26 -5.01 118.16 116.13 1xpu n LYS 407 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xpu n LYS 407 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xpu n LYS 407 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xpu n THR 408 N -0.84 0.00 0.81 -0.18 5.66 -1.26 -4.85 114.28 113.62 1xpu n THR 408 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1xpu n THR 408 Cb 0.00 -0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.08 1xpu n THR 408 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xpu n ASN 409 N -1.55 0.51 0.06 1.09 2.85 -1.26 -3.15 115.26 113.82 1xpu n ASN 409 Ca 0.00 0.08 0.01 0.00 -0.11 0.00 0.00 54.58 54.56 1xpu n ASN 409 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.97 1xpu n ASN 409 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1xpu h ASP 410 N 0.00 0.00 0.34 1.20 5.19 -1.97 -3.20 116.42 117.97 1xpu h ASP 410 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1xpu h ASP 410 Cb 0.61 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1xpu h ASP 410 CO 0.00 0.55 -0.26 -0.78 -3.12 0.00 0.00 179.24 175.64 1xpu h ASP 411 N 0.00 0.00 0.25 6.45 3.58 -1.88 0.91 116.42 125.73 1xpu h ASP 411 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1xpu h ASP 411 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1xpu h ASP 411 CO 0.05 0.26 0.00 0.49 -2.88 0.00 0.00 179.24 177.16 1xpu n PHE 412 N -4.04 0.00 -0.01 0.28 3.72 -1.19 -2.82 117.46 113.41 1xpu n PHE 412 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1xpu n PHE 412 Cb 0.33 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 1xpu n PHE 412 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1xpu n PHE 413 N -1.13 0.00 -0.08 1.38 3.01 -0.90 -4.31 117.46 115.44 1xpu n PHE 413 Ca 0.19 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.61 1xpu n PHE 413 Cb 0.16 -0.08 0.16 0.00 -0.01 0.00 0.00 39.48 39.72 1xpu n PHE 413 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1xpu h GLU 414 N 0.00 0.72 0.15 -1.08 4.81 -0.94 -2.19 114.58 116.05 1xpu h GLU 414 Ca -0.04 -0.22 -0.26 0.00 -0.13 0.00 0.00 59.36 58.70 1xpu h GLU 414 Cb 1.08 -0.07 0.03 0.00 0.63 0.00 0.00 28.75 30.42 1xpu h GLU 414 CO -0.00 0.79 -1.13 1.98 -0.73 0.00 0.00 179.01 179.92 1xpu h MET 415 N 0.66 0.50 0.00 1.92 4.05 -1.76 -3.18 114.93 117.13 1xpu h MET 415 Ca 0.12 -0.74 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 1xpu h MET 415 Cb 0.52 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1xpu h MET 415 CO 0.03 1.33 0.00 -1.33 0.23 0.00 0.00 176.91 177.17 1xpu n MET 416 N -3.91 0.19 -0.58 0.39 2.81 -1.23 -5.12 117.12 109.67 1xpu n MET 416 Ca -0.14 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1xpu n MET 416 Cb 0.94 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 1xpu n MET 416 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11