#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpu n ASN 2 N 0.00 1.32 -0.04 3.17 4.05 -1.24 -4.20 115.26 118.32 1xpu n ASN 2 Ca 0.00 1.13 -0.17 0.00 0.45 0.00 0.00 54.58 55.99 1xpu n ASN 2 Cb 0.00 -1.15 -0.06 0.00 1.23 0.00 0.00 39.78 39.80 1xpu n ASN 2 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1xpu h LEU 3 N 4.14 0.95 -1.14 1.20 5.85 -1.51 -2.53 115.31 122.27 1xpu h LEU 3 Ca -0.48 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 57.65 1xpu h LEU 3 Cb 1.35 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1xpu h LEU 3 CO 0.75 1.38 0.50 0.74 -0.34 0.00 0.00 178.44 181.47 1xpu h THR 4 N 0.57 1.22 -0.40 1.05 2.02 -1.90 0.24 112.91 115.70 1xpu h THR 4 Ca -0.03 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1xpu h THR 4 Cb 1.32 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1xpu h THR 4 CO 0.15 0.22 0.04 -0.33 0.37 0.00 0.00 175.52 175.97 1xpu h GLU 5 N 1.11 0.68 -0.18 6.66 5.08 -1.95 -1.63 114.58 124.35 1xpu h GLU 5 Ca 0.29 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1xpu h GLU 5 Cb -0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xpu h GLU 5 CO -0.06 0.74 0.03 -0.07 -1.00 0.00 0.00 179.01 178.65 1xpu h LEU 6 N 0.52 0.23 -0.59 1.33 3.38 -0.90 -1.29 115.31 117.99 1xpu h LEU 6 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1xpu h LEU 6 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xpu h LEU 6 CO 0.01 0.26 -0.28 0.11 0.09 0.00 0.00 178.44 178.63 1xpu h LYS 7 N 0.26 0.00 -0.09 1.13 1.57 -0.33 -3.28 116.57 115.83 1xpu h LYS 7 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xpu h LYS 7 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xpu h LYS 7 CO -0.00 0.28 0.00 0.09 -0.57 0.00 0.00 179.45 179.25 1xpu n ASN 8 N -3.28 3.08 -4.75 0.86 3.02 -0.58 -4.91 115.26 108.70 1xpu n ASN 8 Ca 0.01 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.16 1xpu n ASN 8 Cb 0.54 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.92 4.52 0.52 3.41 -4.23 -0.67 -5.04 115.64 112.24 1xpu s THR 9 Ca 0.30 1.79 -0.20 0.00 -1.18 0.00 0.00 61.69 62.40 1xpu s THR 9 Cb 0.21 -4.19 -0.08 0.00 1.34 0.00 0.00 72.50 69.77 1xpu s THR 9 CO 0.30 0.41 0.78 -2.65 -0.54 0.00 0.00 174.62 172.92 1xpu n PRO 10 N 2.35 0.85 -0.22 3.99 -0.02 -1.26 -4.74 135.00 135.95 1xpu n PRO 10 Ca -0.02 0.32 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1xpu n PRO 10 Cb 0.49 -1.90 0.04 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.72 1.19 -0.60 -1.45 2.07 -1.97 -0.50 116.25 115.70 1xpu h VAL 11 Ca -0.45 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 66.75 1xpu h VAL 11 Cb 1.37 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1xpu h VAL 11 CO 0.51 0.19 0.17 0.77 0.02 0.00 0.00 177.57 179.24 1xpu h SER 12 N 0.85 0.11 0.06 0.57 4.64 -2.01 -1.74 113.55 116.03 1xpu h SER 12 Ca 0.22 0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.44 1xpu h SER 12 Cb -0.01 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1xpu h SER 12 CO -0.04 0.07 -0.76 -0.33 -0.87 0.00 0.00 176.83 174.90 1xpu h GLU 13 N 0.33 0.59 -0.40 4.77 5.08 -1.84 -3.25 114.58 119.86 1xpu h GLU 13 Ca 0.31 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1xpu h GLU 13 Cb 0.43 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1xpu h GLU 13 CO -0.36 1.11 0.16 1.25 -1.00 0.00 0.00 179.01 180.17 1xpu h LEU 14 N 0.41 0.51 -0.20 1.33 6.46 -0.45 -2.45 115.31 120.91 1xpu h LEU 14 Ca -0.04 -0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.59 1xpu h LEU 14 Cb 1.36 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1xpu h LEU 14 CO 0.14 0.47 -0.16 0.40 -0.62 0.00 0.00 178.44 178.67 1xpu h ILE 15 N 0.56 1.33 -0.79 4.05 2.04 -1.39 -3.09 117.51 120.22 1xpu h ILE 15 Ca 0.14 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1xpu h ILE 15 Cb 0.12 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1xpu h ILE 15 CO -0.01 0.39 0.44 0.71 0.00 0.00 0.00 178.15 179.68 1xpu h THR 16 N 0.13 1.23 -0.87 -0.27 1.35 -1.52 -0.16 112.91 112.81 1xpu h THR 16 Ca 0.04 -0.57 0.11 0.00 -0.55 0.00 0.00 66.41 65.43 1xpu h THR 16 Cb 0.69 0.17 -0.08 0.00 -1.73 0.00 0.00 68.15 67.20 1xpu h THR 16 CO 0.04 0.26 0.50 0.25 -0.25 0.00 0.00 175.52 176.32 1xpu h LEU 17 N 1.10 0.71 -0.26 3.87 6.46 -1.50 -1.91 115.31 123.78 1xpu h LEU 17 Ca 0.28 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.97 1xpu h LEU 17 Cb 0.02 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1xpu h LEU 17 CO -0.05 0.38 -0.34 1.23 -0.62 0.00 0.00 178.44 179.04 1xpu h GLY 18 N 0.81 0.75 2.00 3.75 0.00 -1.24 -3.18 103.07 105.96 1xpu h GLY 18 Ca 0.43 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xpu h GLY 18 CO -0.27 0.74 -0.08 0.83 0.00 0.00 0.00 176.54 177.76 1xpu h GLU 19 N 0.41 0.00 -0.10 4.80 5.08 -0.64 -0.33 114.58 123.80 1xpu h GLU 19 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xpu h GLU 19 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xpu h GLU 19 CO 0.08 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 178.26 1xpu n ASN 20 N -3.98 0.73 -0.37 1.42 3.02 -0.76 -3.13 115.26 112.19 1xpu n ASN 20 Ca -0.03 -1.73 0.05 0.00 -0.03 0.00 0.00 54.58 52.84 1xpu n ASN 20 Cb 0.17 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.22 0.93 -0.21 3.52 2.81 -0.15 -4.97 117.12 118.83 1xpu n MET 21 Ca 0.11 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 55.01 1xpu n MET 21 Cb 0.15 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 0.68 0.61 3.69 3.03 0.00 -1.18 -5.05 105.19 106.96 1xpu n GLY 22 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1xpu n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpu s LEU 23 N 0.00 4.31 -0.07 0.99 1.43 -1.09 -5.02 118.68 119.23 1xpu s LEU 23 Ca 0.00 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 1xpu s LEU 23 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1xpu s LEU 23 CO 0.00 -0.67 -0.07 -1.61 0.23 0.00 0.00 176.35 174.23 1xpu s GLU 24 N 2.22 2.80 -0.34 1.70 2.02 -1.26 -4.11 118.70 121.73 1xpu s GLU 24 Ca 0.61 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 1xpu s GLU 24 Cb -0.30 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.35 1xpu s GLU 24 CO 0.26 0.63 0.46 0.09 0.02 0.00 0.00 175.26 176.72 1xpu n ASN 25 N 2.33 -6.52 0.00 -0.19 4.13 -1.26 -5.00 115.26 108.74 1xpu n ASN 25 Ca -0.18 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1xpu n ASN 25 Cb 0.53 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 1xpu n ASN 25 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1xpu n LEU 26 N -0.44 0.00 -0.34 3.41 4.32 -1.26 -4.85 117.00 117.83 1xpu n LEU 26 Ca 0.08 -0.02 0.06 0.00 -0.02 0.00 0.00 56.01 56.11 1xpu n LEU 26 Cb 0.36 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.29 1xpu n LEU 26 CO 0.37 0.00 0.63 0.00 -1.22 0.00 0.00 177.39 177.16 1xpu n ALA 27 N -1.26 0.23 -2.97 -1.18 0.00 -1.26 -1.91 120.51 112.15 1xpu n ALA 27 Ca 0.00 1.04 -0.33 0.00 0.00 0.00 0.00 53.44 54.16 1xpu n ALA 27 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1xpu n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpu n ARG 28 N -5.55 3.84 -4.04 0.00 1.74 -1.26 -5.01 116.66 106.38 1xpu n ARG 28 Ca 0.15 -4.74 -0.12 0.00 -0.77 0.00 0.00 57.85 52.38 1xpu n ARG 28 Cb 0.48 -2.34 -0.11 0.00 -1.02 0.00 0.00 32.46 29.46 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 -3.40 0.47 0.25 5.56 -1.94 -0.80 -5.12 119.30 114.32 1xpu s MET 29 Ca 0.42 -0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 53.38 1xpu s MET 29 Cb 0.20 -0.19 -0.14 0.00 2.01 0.00 0.00 34.83 36.71 1xpu s MET 29 CO -0.08 0.02 1.32 0.54 -0.01 0.00 0.00 175.02 176.82 1xpu n ARG 30 N 1.51 1.88 -0.44 2.03 1.74 -1.26 -4.82 116.66 117.30 1xpu n ARG 30 Ca -0.23 0.67 0.40 0.00 -0.77 0.00 0.00 57.85 57.92 1xpu n ARG 30 Cb 0.55 -2.26 0.76 0.00 -1.02 0.00 0.00 32.46 30.48 1xpu n ARG 30 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1xpu h LYS 31 N 3.60 0.02 0.07 5.56 3.64 -2.00 0.17 116.57 127.64 1xpu h LYS 31 Ca -0.44 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.67 1xpu h LYS 31 Cb 1.29 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1xpu h LYS 31 CO 0.71 0.02 -1.13 1.96 -2.27 0.00 0.00 179.45 178.74 1xpu h GLN 32 N 0.02 0.50 0.00 1.90 7.50 -1.99 -1.10 115.11 121.96 1xpu h GLN 32 Ca 0.69 -0.64 0.00 0.00 0.50 0.00 0.00 58.65 59.20 1xpu h GLN 32 Cb 2.69 0.20 0.00 0.00 0.05 0.00 0.00 27.48 30.42 1xpu h GLN 32 CO -0.04 1.26 0.00 -0.25 -1.50 0.00 0.00 178.83 178.29 1xpu n ASP 33 N -3.74 0.01 -0.12 1.46 8.00 0.57 -1.60 116.55 121.13 1xpu n ASP 33 Ca -0.10 0.50 -0.20 0.00 0.71 0.00 0.00 54.79 55.70 1xpu n ASP 33 Cb 0.93 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1xpu n ASP 33 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xpu n ILE 34 N -1.51 1.52 -0.24 0.53 5.41 -1.08 -3.79 119.36 120.19 1xpu n ILE 34 Ca 0.02 -0.14 0.30 0.00 1.00 0.00 0.00 62.75 63.92 1xpu n ILE 34 Cb 0.09 -2.09 0.71 0.00 -0.71 0.00 0.00 39.64 37.64 1xpu n ILE 34 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1xpu h ILE 35 N -1.00 0.51 -0.15 1.39 2.04 -1.12 0.15 117.51 119.34 1xpu h ILE 35 Ca -0.39 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1xpu h ILE 35 Cb 1.33 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xpu h ILE 35 CO -0.23 0.01 -0.23 0.15 0.00 0.00 0.00 178.15 177.84 1xpu h PHE 36 N 0.04 0.51 -0.27 1.37 3.57 -1.50 -3.00 116.94 117.67 1xpu h PHE 36 Ca 0.48 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1xpu h PHE 36 Cb 1.85 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 1xpu h PHE 36 CO -0.00 0.85 -0.14 0.00 -2.23 0.00 0.00 178.31 176.79 1xpu h ALA 37 N 0.57 1.25 -0.50 2.41 0.00 -0.85 0.50 119.26 122.64 1xpu h ALA 37 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1xpu h ALA 37 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xpu h ALA 37 CO 0.05 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.54 1xpu h ILE 38 N 0.43 1.26 -0.29 0.00 5.03 -1.33 0.25 117.51 122.86 1xpu h ILE 38 Ca 0.08 -1.18 -0.19 0.00 -0.12 0.00 0.00 64.86 63.45 1xpu h ILE 38 Cb 0.51 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 1xpu h ILE 38 CO 0.03 0.41 -0.55 -0.07 -0.68 0.00 0.00 178.15 177.29 1xpu h LEU 39 N 0.82 0.98 0.25 1.44 3.38 -1.29 -3.24 115.31 117.65 1xpu h LEU 39 Ca 0.14 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1xpu h LEU 39 Cb 0.59 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xpu h LEU 39 CO 0.04 1.33 -0.12 0.50 0.09 0.00 0.00 178.44 180.28 1xpu h LYS 40 N 0.67 -0.32 0.00 1.13 1.63 0.23 -3.07 116.57 116.84 1xpu h LYS 40 Ca 0.01 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1xpu h LYS 40 Cb 1.17 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1xpu h LYS 40 CO 0.12 0.04 0.00 1.04 -3.45 0.00 0.00 179.45 177.20 1xpu n GLN 41 N -5.04 0.45 -3.35 1.90 1.13 0.86 -4.27 117.38 109.07 1xpu n GLN 41 Ca -0.09 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 54.51 1xpu n GLN 41 Cb 0.26 -1.19 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 1xpu n GLN 41 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1xpu s HIS 42 N -2.00 3.70 -0.53 1.08 2.46 -1.16 -4.91 115.29 113.92 1xpu s HIS 42 Ca 0.08 -1.97 0.03 0.00 0.47 0.00 0.00 55.06 53.68 1xpu s HIS 42 Cb 0.04 -3.78 0.40 0.00 -0.13 0.00 0.00 32.58 29.11 1xpu s HIS 42 CO 0.07 -0.99 1.31 0.00 -2.47 0.00 0.00 174.74 172.66 1xpu n ALA 43 N 4.06 5.38 -1.00 1.58 0.00 -1.26 -4.85 120.51 124.42 1xpu n ALA 43 Ca 0.11 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1xpu n ALA 43 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.49 0.00 -1.35 0.00 5.02 -1.26 -5.08 118.16 115.00 1xpu n LYS 44 Ca 0.42 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 56.18 1xpu n LYS 44 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.46 1xpu n LYS 44 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xpu n SER 45 N -0.45 0.98 -3.39 4.39 7.64 -1.26 -4.79 113.62 116.74 1xpu n SER 45 Ca 0.00 0.48 -0.40 0.00 1.01 0.00 0.00 58.87 59.96 1xpu n SER 45 Cb 0.00 -1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 1xpu n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpu n GLY 46 N 7.05 4.40 0.00 0.23 0.00 -1.26 -3.35 105.19 112.26 1xpu n GLY 46 Ca 0.54 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1xpu n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xpu n GLU 47 N 3.64 0.00 0.00 1.61 2.13 -1.26 -5.00 120.64 121.76 1xpu n GLU 47 Ca 0.73 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.59 1xpu n GLU 47 Cb 0.25 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.15 1xpu n GLU 47 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xpu n ASP 48 N 0.00 0.00 -4.11 4.31 9.92 -1.21 -3.93 116.55 121.52 1xpu n ASP 48 Ca 0.00 0.24 -0.43 0.00 -0.53 0.00 0.00 54.79 54.07 1xpu n ASP 48 Cb 0.00 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1xpu n ASP 48 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1xpu n ILE 49 N -1.33 4.25 -3.39 0.53 -6.64 -1.26 -2.96 119.36 108.57 1xpu n ILE 49 Ca 0.03 -4.44 -0.39 0.00 -1.77 0.00 0.00 62.75 56.18 1xpu n ILE 49 Cb 0.06 -2.41 -0.09 0.00 -1.44 0.00 0.00 39.64 35.76 1xpu n ILE 49 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1xpu s PHE 50 N 1.12 3.24 0.46 4.28 0.08 -1.25 0.20 117.98 126.11 1xpu s PHE 50 Ca 0.42 0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.94 1xpu s PHE 50 Cb 0.05 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1xpu s PHE 50 CO 0.00 -0.24 0.61 0.20 -0.10 0.00 0.00 175.22 175.69 1xpu s GLY 51 N 1.65 1.92 -0.20 4.36 0.00 0.76 -1.29 107.32 114.51 1xpu s GLY 51 Ca 0.15 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 42.78 1xpu s GLY 51 CO 0.10 -1.57 1.00 -0.35 0.00 0.00 0.00 173.10 172.28 1xpu s ASP 52 N -4.41 -0.41 0.00 1.64 3.68 -1.26 -2.97 116.67 112.94 1xpu s ASP 52 Ca 0.56 0.58 0.00 0.00 2.13 0.00 0.00 52.55 55.81 1xpu s ASP 52 Cb -0.08 0.51 0.00 0.00 -1.45 0.00 0.00 42.92 41.90 1xpu s ASP 52 CO 0.34 -0.28 0.00 0.61 0.13 0.00 0.00 175.17 175.97 1xpu n GLY 53 N 1.26 0.44 3.74 2.66 0.00 -1.15 -4.65 105.19 107.50 1xpu n GLY 53 Ca -0.11 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 5.17 0.15 1.61 1.01 0.22 -1.91 120.40 124.66 1xpu s VAL 54 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1xpu s VAL 54 Cb 0.00 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1xpu s VAL 54 CO 0.00 0.39 1.18 -0.22 0.00 0.00 0.00 175.10 176.44 1xpu s LEU 55 N 0.26 4.44 -0.33 3.92 2.96 0.10 -1.12 118.68 128.90 1xpu s LEU 55 Ca 0.24 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 1xpu s LEU 55 Cb -0.15 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.04 1xpu s LEU 55 CO 0.10 -0.37 0.08 -0.70 -1.32 0.00 0.00 176.35 174.15 1xpu s GLU 56 N 0.10 1.08 0.22 1.98 2.12 -0.45 -0.45 118.70 123.30 1xpu s GLU 56 Ca 0.54 -1.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.08 1xpu s GLU 56 Cb -0.31 -2.55 -0.10 0.00 0.26 0.00 0.00 34.13 31.43 1xpu s GLU 56 CO 0.34 -0.97 1.48 0.42 -0.54 0.00 0.00 175.26 175.99 1xpu s ILE 57 N 1.23 2.66 0.41 -3.70 1.01 -1.26 -2.40 121.20 119.16 1xpu s ILE 57 Ca 0.11 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1xpu s ILE 57 Cb -0.18 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1xpu s ILE 57 CO -0.17 0.07 0.60 -0.22 0.00 0.00 0.00 174.94 175.22 1xpu s LEU 58 N 0.18 3.74 0.26 2.97 1.98 0.17 -4.95 118.68 123.02 1xpu s LEU 58 Ca 0.63 0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.88 1xpu s LEU 58 Cb -0.42 -2.94 0.55 0.00 0.66 0.00 0.00 46.19 44.04 1xpu s LEU 58 CO 0.39 -0.65 1.73 -0.61 -1.89 0.00 0.00 176.35 175.32 1xpu h GLN 59 N 0.57 0.45 0.00 1.98 5.75 -1.95 -1.51 115.11 120.41 1xpu h GLN 59 Ca -0.45 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1xpu h GLN 59 Cb 1.26 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1xpu h GLN 59 CO 0.54 0.30 0.00 -0.44 -2.65 0.00 0.00 178.83 176.58 1xpu h ASP 60 N 0.47 0.00 0.00 -0.69 5.19 -2.03 -3.47 116.42 115.89 1xpu h ASP 60 Ca 0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1xpu h ASP 60 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1xpu h ASP 60 CO -0.43 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.30 1xpu n GLY 61 N 0.59 1.64 3.90 2.75 0.00 -0.57 -5.07 105.19 108.43 1xpu n GLY 61 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1xpu n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xpu s PHE 62 N -1.70 3.49 0.23 1.61 -0.12 -1.26 -4.12 117.98 116.11 1xpu s PHE 62 Ca 0.00 0.76 0.01 0.00 -0.05 0.00 0.00 56.93 57.65 1xpu s PHE 62 Cb 0.00 -2.22 -0.00 0.00 -0.63 0.00 0.00 43.02 40.17 1xpu s PHE 62 CO 0.00 0.02 0.02 0.41 -0.05 0.00 0.00 175.22 175.61 1xpu n GLY 63 N -1.33 3.84 3.14 1.99 0.00 0.96 0.43 105.19 114.21 1xpu n GLY 63 Ca -0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 1xpu n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xpu s PHE 64 N -2.00 0.34 -0.43 1.61 0.08 -1.01 -1.30 117.98 115.28 1xpu s PHE 64 Ca 0.03 -0.82 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1xpu s PHE 64 Cb 0.00 -0.23 0.11 0.00 -0.57 0.00 0.00 43.02 42.33 1xpu s PHE 64 CO 0.02 -0.44 0.22 -0.51 -0.10 0.00 0.00 175.22 174.41 1xpu s LEU 65 N -2.82 5.23 -0.05 -0.37 1.43 -0.53 -1.34 118.68 120.23 1xpu s LEU 65 Ca 0.05 -2.12 -0.08 0.00 -1.03 0.00 0.00 54.13 50.95 1xpu s LEU 65 Cb 0.06 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1xpu s LEU 65 CO -0.10 -0.52 0.23 -0.13 0.23 0.00 0.00 176.35 176.06 1xpu s ARG 66 N 1.01 3.56 0.06 1.70 0.52 -0.28 -3.50 118.95 122.03 1xpu s ARG 66 Ca 0.09 -0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1xpu s ARG 66 Cb -0.22 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1xpu s ARG 66 CO -0.04 0.71 0.24 -1.54 0.02 0.00 0.00 175.30 174.69 1xpu s SER 67 N -1.36 6.39 0.19 0.23 1.04 -1.26 0.73 113.70 119.66 1xpu s SER 67 Ca 0.22 0.36 0.23 0.00 0.48 0.00 0.00 55.95 57.24 1xpu s SER 67 Cb -0.13 -2.00 0.91 0.00 0.10 0.00 0.00 66.02 64.90 1xpu s SER 67 CO 0.11 0.17 1.71 0.00 0.98 0.00 0.00 173.24 176.21 1xpu n ALA 68 N 0.41 1.88 0.25 5.32 0.00 -1.26 -0.86 120.51 126.25 1xpu n ALA 68 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1xpu n ALA 68 Cb 0.51 -1.40 0.59 0.00 0.00 0.00 0.00 19.45 19.16 1xpu n ALA 68 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xpu h ASP 69 N 0.00 0.00 0.00 0.00 2.03 -1.94 -1.91 116.42 114.60 1xpu h ASP 69 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1xpu h ASP 69 Cb 0.46 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.94 1xpu h ASP 69 CO 0.00 0.08 -0.46 -1.54 -1.03 0.00 0.00 179.24 176.29 1xpu n SER 70 N -4.42 1.74 -3.77 4.15 3.41 -1.22 -4.98 113.62 108.53 1xpu n SER 70 Ca -0.03 -3.68 -0.24 0.00 -0.26 0.00 0.00 58.87 54.66 1xpu n SER 70 Cb 0.16 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1xpu n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xpu n SER 71 N -1.07 -2.66 -3.39 4.04 7.64 -0.72 -2.24 113.62 115.22 1xpu n SER 71 Ca 0.18 -0.79 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 1xpu n SER 71 Cb 0.71 -4.05 0.01 0.00 -1.01 0.00 0.00 64.21 59.86 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 -4.45 -1.91 -2.41 1.43 4.01 -0.04 -4.84 117.16 108.95 1xpu n TYR 72 Ca -0.17 0.55 -0.42 0.00 -0.16 0.00 0.00 57.90 57.71 1xpu n TYR 72 Cb 0.62 -3.45 -0.03 0.00 -0.31 0.00 0.00 39.34 36.17 1xpu n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xpu s LEU 73 N -6.67 4.39 0.34 7.72 2.96 -0.95 -4.92 118.68 121.54 1xpu s LEU 73 Ca 0.43 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 56.10 1xpu s LEU 73 Cb -0.22 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.78 1xpu s LEU 73 CO 0.52 -0.45 1.42 0.00 -1.32 0.00 0.00 176.35 176.53 1xpu s ALA 74 N 0.84 3.57 0.26 5.97 0.00 -1.26 -4.87 121.76 126.27 1xpu s ALA 74 Ca 0.58 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.90 1xpu s ALA 74 Cb -0.30 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.29 1xpu s ALA 74 CO 0.30 -0.87 0.48 0.41 0.00 0.00 0.00 175.76 176.09 1xpu n GLY 75 N 0.90 1.64 0.23 0.00 0.00 -1.26 -5.05 105.19 101.65 1xpu n GLY 75 Ca 0.02 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.89 1xpu n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xpu h PRO 76 N 0.00 0.00 -1.20 1.61 0.11 -1.94 -3.25 132.00 127.33 1xpu h PRO 76 Ca -0.22 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.28 1xpu h PRO 76 Cb 0.85 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.57 1xpu h PRO 76 CO 0.28 0.00 -0.26 -0.40 -0.21 0.00 0.00 178.00 177.41 1xpu n ASP 77 N -2.91 5.66 -4.68 -2.05 5.68 -1.26 -4.68 116.55 112.31 1xpu n ASP 77 Ca 0.02 -3.76 -0.40 0.00 -0.50 0.00 0.00 54.79 50.15 1xpu n ASP 77 Cb 0.37 -0.58 -0.05 0.00 -1.14 0.00 0.00 41.12 39.72 1xpu n ASP 77 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1xpu s ASP 78 N -2.96 6.82 -0.47 -1.12 1.01 -1.23 -5.00 116.67 113.73 1xpu s ASP 78 Ca 0.52 1.00 -0.27 0.00 0.71 0.00 0.00 52.55 54.52 1xpu s ASP 78 Cb 0.43 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 1xpu s ASP 78 CO -0.10 -0.27 2.08 -0.63 0.21 0.00 0.00 175.17 176.46 1xpu s ILE 79 N 1.73 3.22 0.07 0.77 1.09 -1.23 -4.35 121.20 122.50 1xpu s ILE 79 Ca 0.33 0.16 -0.31 0.00 -1.10 0.00 0.00 60.65 59.74 1xpu s ILE 79 Cb -0.16 -3.46 -0.09 0.00 -1.06 0.00 0.00 42.46 37.68 1xpu s ILE 79 CO 0.12 -0.41 1.80 -0.47 -0.10 0.00 0.00 174.94 175.88 1xpu s TYR 80 N 9.69 2.00 -0.21 3.97 5.04 0.19 -1.46 117.35 136.57 1xpu s TYR 80 Ca 0.84 -0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.41 1xpu s TYR 80 Cb -0.18 -4.11 -0.02 0.00 0.35 0.00 0.00 41.96 38.00 1xpu s TYR 80 CO 0.26 -4.65 -0.00 0.08 -1.34 0.00 0.00 175.55 169.90 1xpu s VAL 81 N 3.24 3.86 0.46 3.14 1.01 -0.42 -2.24 120.40 129.45 1xpu s VAL 81 Ca 0.80 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 1xpu s VAL 81 Cb -0.42 -2.75 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 1xpu s VAL 81 CO 0.36 0.42 0.99 -0.94 0.00 0.00 0.00 175.10 175.92 1xpu s SER 82 N 1.17 6.66 0.56 3.32 1.04 -1.26 -0.03 113.70 125.16 1xpu s SER 82 Ca 0.03 1.79 0.24 0.00 0.48 0.00 0.00 55.95 58.49 1xpu s SER 82 Cb -0.14 -2.55 1.55 0.00 0.10 0.00 0.00 66.02 64.98 1xpu s SER 82 CO 0.01 -0.56 2.18 -0.65 0.98 0.00 0.00 173.24 175.20 1xpu h PRO 83 N 1.71 0.00 -0.15 4.02 0.11 -1.94 -0.93 132.00 134.82 1xpu h PRO 83 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1xpu h PRO 83 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xpu h PRO 83 CO 0.60 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.80 1xpu h SER 84 N 0.00 0.26 -0.02 -2.05 4.64 -1.92 -2.54 113.55 111.92 1xpu h SER 84 Ca 0.03 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.03 1xpu h SER 84 Cb 0.13 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1xpu h SER 84 CO -0.00 0.52 -0.91 1.56 -0.87 0.00 0.00 176.83 177.13 1xpu h GLN 85 N 0.24 0.64 -0.33 4.77 4.20 -1.56 -3.22 115.11 119.86 1xpu h GLN 85 Ca 0.04 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.08 1xpu h GLN 85 Cb 0.57 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1xpu h GLN 85 CO 0.04 1.27 0.22 0.82 -0.67 0.00 0.00 178.83 180.50 1xpu h ILE 86 N 0.29 1.08 -0.63 2.54 2.04 -1.40 -3.00 117.51 118.44 1xpu h ILE 86 Ca -0.11 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1xpu h ILE 86 Cb 1.57 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1xpu h ILE 86 CO 0.18 0.08 0.29 -0.09 0.00 0.00 0.00 178.15 178.61 1xpu h ARG 87 N 0.44 0.50 -0.19 2.37 2.43 -1.55 -1.40 114.38 116.98 1xpu h ARG 87 Ca 0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1xpu h ARG 87 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1xpu h ARG 87 CO -0.03 0.33 0.03 -0.09 -1.51 0.00 0.00 179.97 178.70 1xpu h ARG 88 N 0.51 0.10 -0.49 0.20 2.43 -1.53 -2.97 114.38 112.63 1xpu h ARG 88 Ca 0.31 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.33 1xpu h ARG 88 Cb 0.32 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.76 1xpu h ARG 88 CO -0.26 0.06 0.10 1.19 -1.51 0.00 0.00 179.97 179.56 1xpu n PHE 89 N -5.10 1.64 -1.60 2.20 3.72 -1.20 -4.94 117.46 112.18 1xpu n PHE 89 Ca -0.03 -1.19 -0.19 0.00 -0.05 0.00 0.00 57.45 56.00 1xpu n PHE 89 Cb 0.09 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.03 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 -0.50 -5.06 -4.66 4.37 2.85 -0.89 -4.84 115.26 106.52 1xpu n ASN 90 Ca 0.33 0.45 -0.50 0.00 -0.11 0.00 0.00 54.58 54.75 1xpu n ASN 90 Cb 1.14 -4.50 -0.05 0.00 1.24 0.00 0.00 39.78 37.61 1xpu n ASN 90 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1xpu n LEU 91 N -2.30 2.69 -4.68 1.20 4.77 -0.58 -5.00 117.00 113.10 1xpu n LEU 91 Ca -0.19 1.06 -0.28 0.00 -0.03 0.00 0.00 56.01 56.56 1xpu n LEU 91 Cb 0.63 -1.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 1xpu n LEU 91 CO 0.29 -0.45 -0.33 -0.13 -1.33 0.00 0.00 177.39 175.44 1xpu s ARG 92 N 2.09 2.49 0.46 3.23 0.52 -1.26 -4.89 118.95 121.59 1xpu s ARG 92 Ca 0.87 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.89 1xpu s ARG 92 Cb -0.82 -2.47 -0.08 0.00 0.52 0.00 0.00 34.95 32.10 1xpu s ARG 92 CO 0.49 0.50 1.39 -0.08 0.02 0.00 0.00 175.30 177.62 1xpu s THR 93 N -1.49 2.19 0.00 0.02 -1.32 -1.26 -2.90 115.64 110.88 1xpu s THR 93 Ca 0.26 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.91 1xpu s THR 93 Cb -0.11 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 1xpu s THR 93 CO 0.18 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1xpu n GLY 94 N 0.62 1.66 3.77 6.08 0.00 0.41 -4.69 105.19 113.04 1xpu n GLY 94 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1xpu n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xpu s ASP 95 N -1.59 6.09 -0.33 1.61 1.01 -1.14 -4.06 116.67 118.25 1xpu s ASP 95 Ca 0.00 2.21 -0.12 0.00 0.71 0.00 0.00 52.55 55.35 1xpu s ASP 95 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1xpu s ASP 95 CO 0.00 -0.97 0.21 -0.89 0.21 0.00 0.00 175.17 173.74 1xpu s THR 96 N -1.66 5.06 -0.13 -1.27 2.01 -1.26 0.01 115.64 118.38 1xpu s THR 96 Ca 0.66 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 1xpu s THR 96 Cb -0.25 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1xpu s THR 96 CO 0.30 0.00 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.53 1xpu s ILE 97 N 1.68 3.55 0.21 1.82 1.01 -0.80 -1.34 121.20 127.33 1xpu s ILE 97 Ca 0.05 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1xpu s ILE 97 Cb -0.17 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1xpu s ILE 97 CO 0.09 0.52 -0.13 -0.44 0.00 0.00 0.00 174.94 174.98 1xpu s SER 98 N 0.19 4.00 0.00 3.58 0.01 -0.79 -2.94 113.70 117.76 1xpu s SER 98 Ca -0.04 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1xpu s SER 98 Cb -0.14 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1xpu s SER 98 CO 0.04 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1xpu n GLY 99 N -0.13 -0.58 3.81 3.44 0.00 -1.16 -1.23 105.19 109.34 1xpu n GLY 99 Ca -0.10 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.85 4.31 0.40 1.61 1.02 -1.11 -0.17 119.74 123.94 1xpu s LYS 100 Ca 0.00 1.16 0.05 0.00 0.02 0.00 0.00 55.97 57.20 1xpu s LYS 100 Cb 0.00 -2.31 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 1xpu s LYS 100 CO 0.00 0.04 0.04 0.96 -0.92 0.00 0.00 175.35 175.46 1xpu s ILE 101 N -2.06 1.46 0.01 2.17 -4.36 0.54 -0.83 121.20 118.13 1xpu s ILE 101 Ca 0.59 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.96 1xpu s ILE 101 Cb -0.11 -2.73 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 1xpu s ILE 101 CO 0.15 0.00 0.03 0.00 0.24 0.00 0.00 174.94 175.36 1xpu s ARG 102 N -3.80 0.28 0.76 0.37 1.70 -0.83 -4.73 118.95 112.70 1xpu s ARG 102 Ca 0.30 -0.38 -0.12 0.00 -0.47 0.00 0.00 55.73 55.05 1xpu s ARG 102 Cb 0.07 0.11 0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1xpu s ARG 102 CO 0.14 -0.05 1.12 -2.14 -1.08 0.00 0.00 175.30 173.29 1xpu s PRO 103 N -1.05 2.19 0.17 3.89 0.02 -1.26 -1.57 135.00 137.40 1xpu s PRO 103 Ca -0.11 1.36 -0.32 0.00 0.02 0.00 0.00 61.00 61.95 1xpu s PRO 103 Cb -0.07 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 1xpu s PRO 103 CO -0.00 -1.72 1.61 -1.25 -0.33 0.00 0.00 177.00 175.31 1xpu s PRO 104 N -4.53 4.19 -0.04 5.54 0.04 -1.26 -4.79 135.00 134.15 1xpu s PRO 104 Ca 0.65 2.42 -0.19 0.00 0.04 0.00 0.00 61.00 63.92 1xpu s PRO 104 Cb -0.20 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 1xpu s PRO 104 CO 0.51 -0.65 0.82 0.87 0.04 0.00 0.00 177.00 178.59 1xpu h LYS 105 N 6.83 -0.35 0.00 4.56 1.57 -1.90 -3.48 116.57 123.80 1xpu h LYS 105 Ca -0.43 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1xpu h LYS 105 Cb 1.20 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xpu h LYS 105 CO 0.93 -0.03 0.00 -1.91 -0.57 0.00 0.00 179.45 177.87 1xpu n GLU 106 N -5.03 0.00 0.00 3.15 0.00 -1.26 -4.91 120.64 112.59 1xpu n GLU 106 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1xpu n GLU 106 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.69 1xpu n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xpu n GLY 107 N -0.32 1.70 3.80 8.31 0.00 -1.26 -4.94 105.19 112.48 1xpu n GLY 107 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.80 -0.02 1.61 2.02 -1.26 -5.00 118.70 119.85 1xpu s GLU 108 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 54.97 56.30 1xpu s GLU 108 Cb 0.00 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1xpu s GLU 108 CO 0.00 -0.42 0.01 -2.13 0.02 0.00 0.00 175.26 172.74 1xpu n ARG 109 N -1.08 3.66 -4.38 1.61 0.63 -1.26 -4.68 116.66 111.16 1xpu n ARG 109 Ca 0.09 -0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.79 1xpu n ARG 109 Cb 0.53 -1.05 -0.11 0.00 0.45 0.00 0.00 32.46 32.28 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 -2.04 1.98 0.47 -0.14 2.02 -1.26 -4.86 117.35 113.52 1xpu s TYR 110 Ca -0.01 -0.44 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 1xpu s TYR 110 Cb 0.01 -0.94 -0.07 0.00 -0.40 0.00 0.00 41.96 40.55 1xpu s TYR 110 CO 0.07 0.45 1.30 -0.06 -1.57 0.00 0.00 175.55 175.74 1xpu s PHE 111 N -2.26 2.61 0.29 2.71 0.08 -1.26 -4.16 117.98 115.99 1xpu s PHE 111 Ca 0.21 1.41 0.09 0.00 0.12 0.00 0.00 56.93 58.77 1xpu s PHE 111 Cb -0.05 -3.67 -0.04 0.00 -0.57 0.00 0.00 43.02 38.69 1xpu s PHE 111 CO 0.09 -2.31 0.01 0.00 -0.10 0.00 0.00 175.22 172.91 1xpu s ALA 112 N -1.34 3.20 0.11 5.36 0.00 -0.61 0.54 121.76 129.02 1xpu s ALA 112 Ca 0.64 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 1xpu s ALA 112 Cb -0.37 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1xpu s ALA 112 CO 0.46 0.21 1.05 -1.17 0.00 0.00 0.00 175.76 176.30 1xpu s LEU 113 N -3.70 4.46 -0.00 0.00 2.96 -0.95 -1.96 118.68 119.48 1xpu s LEU 113 Ca 0.33 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 56.14 1xpu s LEU 113 Cb -0.05 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 1xpu s LEU 113 CO 0.20 -0.21 -0.01 -0.11 -1.32 0.00 0.00 176.35 174.90 1xpu n LEU 114 N 2.98 0.07 -4.03 -0.68 7.94 -0.01 -4.90 117.00 118.38 1xpu n LEU 114 Ca 0.04 0.01 -0.31 0.00 -1.11 0.00 0.00 56.01 54.64 1xpu n LEU 114 Cb 0.48 -0.28 -0.16 0.00 0.53 0.00 0.00 43.42 43.99 1xpu n LEU 114 CO 0.53 -0.50 -0.47 -0.75 -1.11 0.00 0.00 177.39 175.09 1xpu s LYS 115 N -1.07 2.20 0.08 1.96 2.20 -1.22 -4.99 119.74 118.90 1xpu s LYS 115 Ca -0.01 -0.95 -0.31 0.00 -0.36 0.00 0.00 55.97 54.34 1xpu s LYS 115 Cb 0.00 -2.54 -0.07 0.00 -1.51 0.00 0.00 37.83 33.71 1xpu s LYS 115 CO 0.01 -0.43 1.42 0.08 -0.36 0.00 0.00 175.35 176.07 1xpu s VAL 116 N 1.32 3.36 -0.02 4.02 1.01 -1.26 -2.75 120.40 126.08 1xpu s VAL 116 Ca -0.02 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1xpu s VAL 116 Cb -0.17 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1xpu s VAL 116 CO -0.08 0.04 0.10 0.59 0.00 0.00 0.00 175.10 175.75 1xpu n ASN 117 N 4.49 3.73 -3.70 3.32 3.02 -0.37 -4.93 115.26 120.82 1xpu n ASN 117 Ca 0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 1xpu n ASN 117 Cb 0.42 1.11 -0.10 0.00 -0.61 0.00 0.00 39.78 40.60 1xpu n ASN 117 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xpu s GLU 118 N -2.33 0.47 -0.23 3.52 2.56 -1.20 -4.50 118.70 116.98 1xpu s GLU 118 Ca -0.02 0.76 0.01 0.00 0.00 0.00 0.00 54.97 55.72 1xpu s GLU 118 Cb 0.03 0.10 0.06 0.00 2.00 0.00 0.00 34.13 36.32 1xpu s GLU 118 CO 0.23 -0.12 -0.06 0.08 -0.56 0.00 0.00 175.26 174.82 1xpu s VAL 119 N 0.98 1.60 -1.48 3.70 1.01 -0.97 -1.88 120.40 123.36 1xpu s VAL 119 Ca -0.06 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 1xpu s VAL 119 Cb -0.06 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1xpu s VAL 119 CO -0.08 -0.07 0.94 0.59 0.00 0.00 0.00 175.10 176.47 1xpu n ASN 120 N 4.65 -4.14 -3.51 3.32 3.02 -0.45 -2.76 115.26 115.39 1xpu n ASN 120 Ca -0.12 -0.77 -0.19 0.00 -0.03 0.00 0.00 54.58 53.46 1xpu n ASN 120 Cb 0.44 -3.98 0.08 0.00 -0.61 0.00 0.00 39.78 35.70 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 -4.62 -2.24 -3.77 3.10 3.72 -1.26 -5.01 117.46 107.38 1xpu n PHE 121 Ca -0.03 0.93 -0.10 0.00 -0.05 0.00 0.00 57.45 58.20 1xpu n PHE 121 Cb 0.56 -4.93 -0.05 0.00 -0.94 0.00 0.00 39.48 34.12 1xpu n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpu s ASP 122 N -4.19 -0.14 0.17 4.37 -1.08 -1.11 -5.13 116.67 109.55 1xpu s ASP 122 Ca 0.10 -0.53 -0.34 0.00 -0.52 0.00 0.00 52.55 51.26 1xpu s ASP 122 Cb -0.04 0.49 -0.15 0.00 -1.46 0.00 0.00 42.92 41.76 1xpu s ASP 122 CO 0.75 -0.92 1.39 1.17 0.52 0.00 0.00 175.17 178.08 1xpu n LYS 123 N -0.25 1.67 0.00 4.34 4.81 -1.26 -2.28 118.16 125.19 1xpu n LYS 123 Ca -0.12 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1xpu n LYS 123 Cb 0.63 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1xpu n LYS 123 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xpu n PRO 124 N 2.48 0.00 -0.29 1.64 -0.02 -1.26 -1.60 135.00 135.94 1xpu n PRO 124 Ca 0.15 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1xpu n PRO 124 Cb 0.26 -1.00 0.18 0.00 -0.02 0.00 0.00 33.50 32.93 1xpu n PRO 124 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpu n GLU 125 N -0.41 1.73 -4.41 -0.52 -0.58 -1.26 -4.93 120.64 110.26 1xpu n GLU 125 Ca 0.00 -2.80 -0.19 0.00 -0.42 0.00 0.00 57.16 53.75 1xpu n GLU 125 Cb 0.00 -1.62 -0.15 0.00 -0.57 0.00 0.00 31.44 29.10 1xpu n GLU 125 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1xpu s ASN 126 N -2.70 1.16 0.00 1.62 -0.87 -0.63 -5.23 114.94 108.29 1xpu s ASN 126 Ca 0.36 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 1xpu s ASN 126 Cb 0.32 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.39 1xpu s ASN 126 CO 0.02 0.11 0.00 0.59 -2.57 0.00 0.00 177.10 175.26 1xpu n ASN 129 N 2.91 0.00 -4.75 -1.22 3.02 -1.26 -5.10 115.26 108.86 1xpu n ASN 129 Ca -0.14 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 1xpu n ASN 129 Cb 0.56 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 -4.55 2.79 0.22 3.52 1.02 -1.26 -5.01 119.74 116.47 1xpu s LYS 130 Ca 0.00 1.76 -0.22 0.00 0.02 0.00 0.00 55.97 57.53 1xpu s LYS 130 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.31 1xpu s LYS 130 CO 0.00 -1.33 0.76 -1.50 -0.92 0.00 0.00 175.35 172.35 1xpu s ILE 131 N -1.77 4.49 0.41 2.17 2.07 -1.26 -4.78 121.20 122.53 1xpu s ILE 131 Ca 0.75 1.43 0.16 0.00 -1.41 0.00 0.00 60.65 61.58 1xpu s ILE 131 Cb -0.29 -3.93 0.37 0.00 0.13 0.00 0.00 42.46 38.74 1xpu s ILE 131 CO 0.36 0.27 1.87 0.25 -1.91 0.00 0.00 174.94 175.78 1xpu h LEU 132 N 3.59 0.44 0.00 8.50 6.46 -1.95 -1.57 115.31 130.78 1xpu h LEU 132 Ca -0.48 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1xpu h LEU 132 Cb 1.20 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1xpu h LEU 132 CO 0.65 0.19 0.00 0.49 -0.62 0.00 0.00 178.44 179.15 1xpu n PHE 133 N -4.52 0.00 -0.60 1.25 3.72 -1.26 -1.76 117.46 114.30 1xpu n PHE 133 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1xpu n PHE 133 Cb 0.64 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1xpu n PHE 133 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xpu n GLU 134 N -1.37 1.11 -0.95 -1.08 0.28 -0.60 -5.07 120.64 112.96 1xpu n GLU 134 Ca 0.01 -0.86 -0.30 0.00 -0.16 0.00 0.00 57.16 55.85 1xpu n GLU 134 Cb 0.03 -0.70 0.16 0.00 1.43 0.00 0.00 31.44 32.36 1xpu n GLU 134 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1xpu s ASN 135 N -0.38 2.94 0.28 -1.84 -0.87 -0.72 -5.01 114.94 109.35 1xpu s ASN 135 Ca 0.00 1.71 -0.13 0.00 -1.57 0.00 0.00 52.86 52.87 1xpu s ASN 135 Cb 0.00 -2.34 -0.08 0.00 -0.02 0.00 0.00 41.25 38.81 1xpu s ASN 135 CO 0.00 -3.01 0.65 -0.76 -2.57 0.00 0.00 177.10 171.42 1xpu s LEU 136 N -6.49 4.11 -0.77 0.60 1.43 -1.26 -5.03 118.68 111.28 1xpu s LEU 136 Ca 0.65 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1xpu s LEU 136 Cb -0.20 -3.90 0.19 0.00 0.03 0.00 0.00 46.19 42.30 1xpu s LEU 136 CO 0.59 -0.15 0.60 0.35 0.23 0.00 0.00 176.35 177.97 1xpu n THR 137 N -0.25 2.11 -1.77 5.49 -2.24 -1.26 -3.10 114.28 113.25 1xpu n THR 137 Ca 0.02 -4.97 -0.31 0.00 -2.27 0.00 0.00 64.05 56.53 1xpu n THR 137 Cb 0.53 -2.24 0.04 0.00 -2.10 0.00 0.00 70.33 66.56 1xpu n THR 137 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1xpu s PRO 138 N -1.51 3.01 -0.17 -0.78 0.02 -1.16 -4.98 135.00 129.43 1xpu s PRO 138 Ca 0.26 0.67 -0.29 0.00 0.02 0.00 0.00 61.00 61.67 1xpu s PRO 138 Cb -0.04 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 1xpu s PRO 138 CO -0.15 -0.97 2.06 -0.51 -0.33 0.00 0.00 177.00 177.10 1xpu s LEU 139 N -5.39 3.72 0.25 -5.54 1.43 -1.26 -3.94 118.68 107.95 1xpu s LEU 139 Ca 0.57 1.98 0.23 0.00 -1.03 0.00 0.00 54.13 55.89 1xpu s LEU 139 Cb -0.12 -3.52 0.79 0.00 0.03 0.00 0.00 46.19 43.37 1xpu s LEU 139 CO 0.53 -1.66 0.71 0.00 0.23 0.00 0.00 176.35 176.17 1xpu n HIS 140 N 10.29 0.01 -0.18 0.29 1.44 -1.26 -3.65 115.22 122.15 1xpu n HIS 140 Ca 0.26 0.01 -0.15 0.00 -2.01 0.00 0.00 57.72 55.82 1xpu n HIS 140 Cb 0.44 -0.24 -0.04 0.00 0.12 0.00 0.00 29.99 30.28 1xpu n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xpu n ALA 141 N -2.43 1.02 0.04 1.59 0.00 -1.26 -3.33 120.51 116.14 1xpu n ALA 141 Ca 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1xpu n ALA 141 Cb 0.92 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1xpu n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xpu n ASN 142 N 6.28 0.33 -4.02 0.00 5.03 -1.22 -4.50 115.26 117.16 1xpu n ASN 142 Ca 0.16 0.12 -0.31 0.00 0.87 0.00 0.00 54.58 55.42 1xpu n ASN 142 Cb 0.14 -0.05 -0.16 0.00 -1.02 0.00 0.00 39.78 38.69 1xpu n ASN 142 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xpu s SER 143 N -5.32 3.44 0.34 6.41 1.04 -1.21 -4.84 113.70 113.57 1xpu s SER 143 Ca 0.00 -0.89 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 1xpu s SER 143 Cb 0.00 -1.30 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 1xpu s SER 143 CO 0.00 -0.13 1.25 -0.60 0.98 0.00 0.00 173.24 174.74 1xpu s ARG 144 N 1.35 4.30 -0.85 4.02 6.06 -1.26 -1.43 118.95 131.14 1xpu s ARG 144 Ca -0.01 2.09 0.01 0.00 -2.50 0.00 0.00 55.73 55.32 1xpu s ARG 144 Cb -0.16 -2.98 0.33 0.00 0.06 0.00 0.00 34.95 32.19 1xpu s ARG 144 CO -0.09 -0.19 1.48 1.28 -2.50 0.00 0.00 175.30 175.29 1xpu n LEU 145 N 0.65 6.23 -4.66 -0.88 4.77 0.82 -4.83 117.00 119.10 1xpu n LEU 145 Ca 0.01 -5.51 -0.47 0.00 -0.03 0.00 0.00 56.01 50.02 1xpu n LEU 145 Cb 0.43 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 1xpu n LEU 145 CO 0.57 2.17 1.16 -1.14 -1.33 0.00 0.00 177.39 178.81 1xpu n ARG 146 N -0.12 2.01 0.00 3.23 0.63 -1.26 -4.76 116.66 116.39 1xpu n ARG 146 Ca 0.41 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 58.06 1xpu n ARG 146 Cb 0.31 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1xpu n ARG 146 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1xpu n MET 147 N 3.37 2.04 -3.55 -0.14 2.81 -1.26 -4.95 117.12 115.44 1xpu n MET 147 Ca 0.17 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.79 1xpu n MET 147 Cb 0.27 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.69 1xpu n MET 147 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xpu n GLY 152 N 5.00 4.46 0.00 3.03 0.00 -1.26 -4.72 105.19 111.71 1xpu n GLY 152 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 1.23 0.02 -0.08 1.61 3.41 -1.26 -4.98 113.62 113.56 1xpu n SER 153 Ca 0.27 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1xpu n SER 153 Cb 0.40 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 1xpu n SER 153 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xpu n THR 154 N 0.00 1.52 0.00 6.66 -2.24 -1.26 -3.92 114.28 115.04 1xpu n THR 154 Ca 0.00 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1xpu n THR 154 Cb 0.00 -1.08 0.60 0.00 -2.10 0.00 0.00 70.33 67.74 1xpu n THR 154 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xpu h GLU 155 N 0.01 0.18 0.00 -0.78 5.08 -2.02 -2.38 114.58 114.66 1xpu h GLU 155 Ca -0.51 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1xpu h GLU 155 Cb 2.06 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 1xpu h GLU 155 CO 0.00 0.12 -0.02 0.22 -1.00 0.00 0.00 179.01 178.32 1xpu h ASP 156 N 0.18 0.00 -0.82 1.42 3.58 -1.97 -3.18 116.42 115.63 1xpu h ASP 156 Ca 0.22 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1xpu h ASP 156 Cb 0.65 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.66 1xpu h ASP 156 CO -0.04 0.02 0.50 -0.07 -2.88 0.00 0.00 179.24 176.78 1xpu h LEU 157 N 0.00 0.99 -0.61 2.28 3.38 -1.58 -1.80 115.31 117.97 1xpu h LEU 157 Ca -0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xpu h LEU 157 Cb 0.51 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1xpu h LEU 157 CO 0.00 0.76 0.36 0.74 0.09 0.00 0.00 178.44 180.39 1xpu h THR 158 N 1.14 1.03 -0.11 0.22 2.02 -1.74 0.31 112.91 115.77 1xpu h THR 158 Ca 0.30 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1xpu h THR 158 Cb -0.05 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1xpu h THR 158 CO -0.06 0.13 -0.27 0.00 0.37 0.00 0.00 175.52 175.69 1xpu h ALA 159 N 1.29 1.34 0.19 6.16 0.00 -1.57 -1.17 119.26 125.49 1xpu h ALA 159 Ca 0.25 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1xpu h ALA 159 Cb 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xpu h ALA 159 CO -0.13 0.46 -1.49 0.00 0.00 0.00 0.00 179.25 178.09 1xpu h ARG 160 N 0.19 0.39 -0.50 0.00 3.08 -0.83 -0.77 114.38 115.94 1xpu h ARG 160 Ca 0.03 -0.67 -0.11 0.00 0.07 0.00 0.00 59.98 59.30 1xpu h ARG 160 Cb 0.58 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1xpu h ARG 160 CO 0.04 1.30 -0.11 0.28 -1.07 0.00 0.00 179.97 180.41 1xpu h VAL 161 N 0.11 1.26 -0.18 2.04 2.07 -0.94 -3.06 116.25 117.55 1xpu h VAL 161 Ca -0.24 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1xpu h VAL 161 Cb 2.08 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1xpu h VAL 161 CO 0.22 0.43 -0.01 0.25 0.02 0.00 0.00 177.57 178.47 1xpu h LEU 162 N 0.82 0.33 -2.31 2.57 6.46 -1.26 -2.35 115.31 119.58 1xpu h LEU 162 Ca 0.13 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1xpu h LEU 162 Cb 0.64 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1xpu h LEU 162 CO 0.04 0.58 0.14 0.44 -0.62 0.00 0.00 178.44 179.03 1xpu h ASP 163 N 0.07 0.00 0.03 1.25 3.32 -1.09 0.11 116.42 120.11 1xpu h ASP 163 Ca 0.05 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.72 1xpu h ASP 163 Cb 0.42 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1xpu h ASP 163 CO 0.01 0.00 -2.18 0.18 -1.72 0.00 0.00 179.24 175.53 1xpu n LEU 164 N -2.84 2.46 -0.01 1.55 4.77 -1.15 -4.31 117.00 117.46 1xpu n LEU 164 Ca -0.02 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1xpu n LEU 164 Cb 0.20 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1xpu n LEU 164 CO 0.15 0.72 0.52 0.00 -1.33 0.00 0.00 177.39 177.46 1xpu h ALA 165 N -0.32 -0.05 -2.81 -1.18 0.00 -1.00 -3.43 119.26 110.48 1xpu h ALA 165 Ca -0.54 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 53.47 1xpu h ALA 165 Cb 1.76 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.18 1xpu h ALA 165 CO -0.15 -0.20 -0.79 -1.54 0.00 0.00 0.00 179.25 176.57 1xpu s SER 166 N -5.77 3.27 0.17 0.00 1.04 0.34 -3.21 113.70 109.53 1xpu s SER 166 Ca -0.16 -2.62 -0.32 0.00 0.48 0.00 0.00 55.95 53.34 1xpu s SER 166 Cb 0.00 -0.82 -0.11 0.00 0.10 0.00 0.00 66.02 65.20 1xpu s SER 166 CO 0.63 -0.26 1.66 -2.84 0.98 0.00 0.00 173.24 173.41 1xpu s PRO 167 N 0.42 4.17 -0.17 4.02 0.02 -1.26 -4.56 135.00 137.65 1xpu s PRO 167 Ca 0.20 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.64 1xpu s PRO 167 Cb -0.20 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 1xpu s PRO 167 CO -0.03 -0.69 0.01 0.42 -0.33 0.00 0.00 177.00 176.38 1xpu s ILE 168 N 1.41 4.25 0.50 2.83 1.01 -1.26 -4.81 121.20 125.13 1xpu s ILE 168 Ca 0.73 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.20 1xpu s ILE 168 Cb -0.46 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1xpu s ILE 168 CO 0.32 0.47 0.20 -0.83 0.00 0.00 0.00 174.94 175.09 1xpu s GLY 169 N 0.49 2.60 -0.21 6.18 0.00 -1.26 -0.13 107.32 114.98 1xpu s GLY 169 Ca -0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.23 1xpu s GLY 169 CO 0.02 -2.03 1.25 0.50 0.00 0.00 0.00 173.10 172.84 1xpu s ARG 170 N -4.03 4.14 0.00 2.90 0.52 -0.51 -2.90 118.95 119.07 1xpu s ARG 170 Ca 0.26 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.98 1xpu s ARG 170 Cb 0.01 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.69 1xpu s ARG 170 CO 0.15 -0.82 0.00 0.41 0.02 0.00 0.00 175.30 175.06 1xpu n GLY 171 N 3.79 1.13 3.75 -3.53 0.00 -1.26 -4.29 105.19 104.78 1xpu n GLY 171 Ca 0.14 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1xpu n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xpu s GLN 172 N -0.13 4.79 -0.91 1.61 2.00 -1.14 -3.43 119.66 122.44 1xpu s GLN 172 Ca 0.00 1.57 -0.07 0.00 -2.00 0.00 0.00 55.36 54.86 1xpu s GLN 172 Cb 0.00 -3.27 0.23 0.00 0.80 0.00 0.00 33.01 30.77 1xpu s GLN 172 CO 0.00 0.41 0.83 0.50 -0.50 0.00 0.00 175.29 176.53 1xpu s ARG 173 N -1.12 3.55 -0.08 1.67 3.52 -1.26 -1.38 118.95 123.85 1xpu s ARG 173 Ca 0.43 -2.96 -0.12 0.00 -0.13 0.00 0.00 55.73 52.94 1xpu s ARG 173 Cb -0.27 -4.23 -0.05 0.00 -1.56 0.00 0.00 34.95 28.84 1xpu s ARG 173 CO 0.34 -1.25 0.30 0.20 -0.81 0.00 0.00 175.30 174.08 1xpu s GLY 174 N 0.99 2.32 -0.24 8.12 0.00 0.27 -1.74 107.32 117.04 1xpu s GLY 174 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.59 1xpu s GLY 174 CO -0.09 0.08 -0.10 -2.27 0.00 0.00 0.00 173.10 170.73 1xpu s LEU 175 N -0.64 3.02 -0.56 0.66 2.96 0.04 -0.49 118.68 123.68 1xpu s LEU 175 Ca 0.19 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.63 1xpu s LEU 175 Cb -0.14 -1.40 0.06 0.00 0.50 0.00 0.00 46.19 45.20 1xpu s LEU 175 CO 0.08 -0.19 0.81 -0.63 -1.32 0.00 0.00 176.35 175.10 1xpu s ILE 176 N 1.23 4.59 -0.18 6.68 -1.09 0.45 -1.98 121.20 130.90 1xpu s ILE 176 Ca -0.07 -0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 1xpu s ILE 176 Cb -0.19 -4.47 -0.01 0.00 -1.58 0.00 0.00 42.46 36.20 1xpu s ILE 176 CO -0.06 -1.07 0.85 -0.69 -1.23 0.00 0.00 174.94 172.75 1xpu s VAL 177 N 3.37 4.86 -0.08 2.92 1.01 -0.52 -0.23 120.40 131.73 1xpu s VAL 177 Ca 0.21 1.67 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 1xpu s VAL 177 Cb -0.17 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1xpu s VAL 177 CO 0.14 0.00 0.18 0.00 0.00 0.00 0.00 175.10 175.42 1xpu s ALA 178 N 2.26 -0.38 0.76 5.51 0.00 -0.92 -0.33 121.76 128.67 1xpu s ALA 178 Ca 0.39 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1xpu s ALA 178 Cb -0.16 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.51 1xpu s ALA 178 CO 0.12 -0.16 1.09 -2.14 0.00 0.00 0.00 175.76 174.67 1xpu s PRO 179 N 1.08 2.41 0.42 0.00 0.02 -1.26 -0.94 135.00 136.73 1xpu s PRO 179 Ca -0.08 0.63 -0.25 0.00 0.02 0.00 0.00 61.00 61.32 1xpu s PRO 179 Cb -0.10 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1xpu s PRO 179 CO -0.06 -1.39 1.21 -2.14 -0.33 0.00 0.00 177.00 174.29 1xpu s PRO 180 N -5.19 3.91 -0.83 5.54 0.02 -1.25 -3.91 135.00 133.28 1xpu s PRO 180 Ca 0.60 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 1xpu s PRO 180 Cb -0.13 -2.61 -0.00 0.00 0.02 0.00 0.00 34.50 31.77 1xpu s PRO 180 CO 0.54 -0.47 0.68 1.63 -0.33 0.00 0.00 177.00 179.05 1xpu n LYS 181 N -0.10 -1.41 -0.13 5.54 5.02 -1.26 -4.95 118.16 120.86 1xpu n LYS 181 Ca 0.05 1.09 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 1xpu n LYS 181 Cb 0.46 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.17 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 -2.41 1.26 -1.66 7.82 0.00 -1.25 -4.93 120.51 119.34 1xpu n ALA 182 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1xpu n ALA 182 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1xpu n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpu n GLY 183 N 0.00 0.90 0.13 0.00 0.00 -1.26 -4.58 105.19 100.38 1xpu n GLY 183 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 0.29 -0.19 1.61 3.64 -1.96 -2.98 116.57 116.97 1xpu h LYS 184 Ca 0.00 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1xpu h LYS 184 Cb 0.68 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1xpu h LYS 184 CO 0.00 1.17 0.01 1.15 -2.27 0.00 0.00 179.45 179.51 1xpu h THR 185 N 0.08 1.25 -0.08 1.00 2.02 -2.00 -2.18 112.91 112.99 1xpu h THR 185 Ca -0.35 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 1xpu h THR 185 Cb 2.05 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1xpu h THR 185 CO 0.13 0.25 -0.38 0.24 0.37 0.00 0.00 175.52 176.13 1xpu h MET 186 N 0.10 0.18 -0.08 6.66 2.86 -2.00 -1.78 114.93 120.87 1xpu h MET 186 Ca 0.06 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xpu h MET 186 Cb 0.37 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1xpu h MET 186 CO 0.01 0.54 0.03 1.25 1.06 0.00 0.00 176.91 179.80 1xpu h LEU 187 N 0.15 0.12 -1.08 1.22 5.85 -1.46 0.13 115.31 120.24 1xpu h LEU 187 Ca 0.02 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1xpu h LEU 187 Cb 0.75 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1xpu h LEU 187 CO 0.06 0.25 0.19 -0.07 -0.34 0.00 0.00 178.44 178.53 1xpu h LEU 188 N -0.02 0.78 -0.28 2.25 3.38 -1.24 0.15 115.31 120.33 1xpu h LEU 188 Ca 0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1xpu h LEU 188 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xpu h LEU 188 CO -0.00 0.73 0.03 1.56 0.09 0.00 0.00 178.44 180.85 1xpu h GLN 189 N 0.83 0.47 -0.65 1.13 4.20 -1.24 -1.30 115.11 118.55 1xpu h GLN 189 Ca 0.19 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1xpu h GLN 189 Cb 0.22 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1xpu h GLN 189 CO -0.01 0.59 0.40 -0.97 -0.67 0.00 0.00 178.83 178.17 1xpu h ASN 190 N 0.28 0.65 0.43 1.46 -0.73 -0.19 0.27 115.58 117.74 1xpu h ASN 190 Ca 0.08 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1xpu h ASN 190 Cb 0.36 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 1xpu h ASN 190 CO 0.01 0.45 -0.25 0.40 -0.37 0.00 0.00 177.43 177.67 1xpu h ILE 191 N 0.79 0.49 -0.80 2.57 1.08 -0.66 -0.52 117.51 120.45 1xpu h ILE 191 Ca 0.26 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.80 1xpu h ILE 191 Cb 0.02 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 1xpu h ILE 191 CO -0.11 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.84 1xpu h ALA 192 N -0.09 1.10 -0.79 1.87 0.00 -0.90 0.45 119.26 120.90 1xpu h ALA 192 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xpu h ALA 192 Cb 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1xpu h ALA 192 CO 0.06 0.20 0.50 1.96 0.00 0.00 0.00 179.25 181.97 1xpu h GLN 193 N 0.88 0.97 0.00 0.00 4.20 -0.37 -2.18 115.11 118.60 1xpu h GLN 193 Ca 0.36 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 1xpu h GLN 193 Cb 0.20 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1xpu h GLN 193 CO -0.18 0.64 -0.55 1.03 -0.67 0.00 0.00 178.83 179.10 1xpu h SER 194 N 0.99 0.00 0.24 1.46 0.87 0.38 -2.94 113.55 114.56 1xpu h SER 194 Ca 0.31 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1xpu h SER 194 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1xpu h SER 194 CO -0.10 0.55 -0.11 0.40 -0.53 0.00 0.00 176.83 177.03 1xpu h ILE 195 N 0.00 0.68 0.00 2.23 1.08 0.19 -2.06 117.51 119.64 1xpu h ILE 195 Ca -0.01 -0.91 -0.07 0.00 -0.39 0.00 0.00 64.86 63.49 1xpu h ILE 195 Cb 1.18 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1xpu h ILE 195 CO 0.07 0.16 -0.32 0.00 -0.69 0.00 0.00 178.15 177.37 1xpu h ALA 196 N -0.40 1.36 0.02 1.87 0.00 -1.52 0.32 119.26 120.91 1xpu h ALA 196 Ca -0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1xpu h ALA 196 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xpu h ALA 196 CO 0.05 0.41 -0.28 -0.92 0.00 0.00 0.00 179.25 178.51 1xpu h TYR 197 N 0.00 0.25 0.03 0.00 3.20 -1.60 -3.27 116.97 115.58 1xpu h TYR 197 Ca -0.00 -0.15 -0.31 0.00 3.14 0.00 0.00 58.73 61.41 1xpu h TYR 197 Cb 0.61 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1xpu h TYR 197 CO 0.00 1.00 -1.77 0.09 -1.64 0.00 0.00 178.16 175.84 1xpu n ASN 198 N -4.47 1.19 -3.28 -2.11 3.02 -0.77 -4.62 115.26 104.21 1xpu n ASN 198 Ca -0.10 0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 1xpu n ASN 198 Cb 0.55 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 1xpu n ASN 198 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xpu n HIS 199 N -3.16 1.60 0.72 3.10 8.25 0.11 -4.92 115.22 120.93 1xpu n HIS 199 Ca -0.20 -3.85 0.10 0.00 -0.26 0.00 0.00 57.72 53.51 1xpu n HIS 199 Cb 1.05 -0.45 0.45 0.00 1.12 0.00 0.00 29.99 32.16 1xpu n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xpu n PRO 200 N 1.04 0.01 0.14 -0.41 -0.04 -1.23 -2.48 135.00 132.03 1xpu n PRO 200 Ca 0.26 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.85 1xpu n PRO 200 Cb 0.48 -1.52 0.22 0.00 -0.04 0.00 0.00 33.50 32.64 1xpu n PRO 200 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xpu h ASP 201 N 0.00 0.04 -3.90 3.54 2.03 -1.90 -3.45 116.42 112.78 1xpu h ASP 201 Ca 0.00 -0.02 -0.48 0.00 -0.73 0.00 0.00 57.03 55.80 1xpu h ASP 201 Cb 0.37 -0.01 0.01 0.00 -0.83 0.00 0.00 39.33 38.87 1xpu h ASP 201 CO 0.00 0.57 0.40 0.00 -1.03 0.00 0.00 179.24 179.19 1xpu s VAL 203 N -1.53 4.72 -0.32 0.00 1.01 0.04 -4.95 120.40 119.38 1xpu s VAL 203 Ca 0.52 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 64.39 1xpu s VAL 203 Cb -0.23 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1xpu s VAL 203 CO 0.29 -0.12 0.20 -0.22 0.00 0.00 0.00 175.10 175.26 1xpu s LEU 204 N 2.82 4.29 -0.23 3.92 2.96 -1.26 0.31 118.68 131.48 1xpu s LEU 204 Ca 0.45 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1xpu s LEU 204 Cb -0.16 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.49 1xpu s LEU 204 CO 0.10 -0.19 -0.13 -0.04 -1.32 0.00 0.00 176.35 174.77 1xpu s MET 205 N 1.69 2.33 -0.34 1.98 -1.94 0.80 -2.17 119.30 121.65 1xpu s MET 205 Ca 0.06 -1.12 -0.13 0.00 -1.71 0.00 0.00 55.69 52.79 1xpu s MET 205 Cb -0.17 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1xpu s MET 205 CO 0.09 -0.47 0.24 0.08 -0.01 0.00 0.00 175.02 174.95 1xpu s VAL 206 N 1.22 5.24 -0.21 -6.03 1.01 -0.10 -0.48 120.40 121.05 1xpu s VAL 206 Ca -0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1xpu s VAL 206 Cb -0.18 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1xpu s VAL 206 CO -0.07 -0.01 0.05 -0.22 0.00 0.00 0.00 175.10 174.84 1xpu s LEU 207 N 1.72 3.55 -0.17 3.92 2.96 0.07 -1.76 118.68 128.96 1xpu s LEU 207 Ca 0.06 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1xpu s LEU 207 Cb -0.17 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1xpu s LEU 207 CO 0.10 0.08 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.27 1xpu s LEU 208 N 0.92 2.25 -0.04 -0.68 1.43 -0.92 -0.97 118.68 120.67 1xpu s LEU 208 Ca 0.03 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1xpu s LEU 208 Cb -0.14 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1xpu s LEU 208 CO 0.02 0.02 -0.04 0.40 0.23 0.00 0.00 176.35 176.98 1xpu h ILE 209 N 5.86 0.00 -0.76 -0.59 1.08 -1.77 -1.01 117.51 120.32 1xpu h ILE 209 Ca -0.41 -0.32 -0.53 0.00 -0.39 0.00 0.00 64.86 63.21 1xpu h ILE 209 Cb 1.16 0.00 -0.33 0.00 -3.07 0.00 0.00 36.82 34.58 1xpu h ILE 209 CO 0.61 0.00 -0.17 -0.67 -0.69 0.00 0.00 178.15 177.23 1xpu n ASP 210 N -2.99 5.36 -4.87 1.72 -0.08 -1.25 -4.09 116.55 110.36 1xpu n ASP 210 Ca -0.02 -3.77 -0.30 0.00 -1.51 0.00 0.00 54.79 49.20 1xpu n ASP 210 Cb 0.07 -0.59 0.08 0.00 2.34 0.00 0.00 41.12 43.02 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 -3.61 2.26 0.20 -0.67 2.56 -0.44 -3.82 118.70 115.17 1xpu s GLU 211 Ca 0.54 0.34 -0.16 0.00 0.00 0.00 0.00 54.97 55.69 1xpu s GLU 211 Cb 0.44 -1.96 -0.08 0.00 2.00 0.00 0.00 34.13 34.53 1xpu s GLU 211 CO 0.02 -1.44 0.64 1.03 -0.56 0.00 0.00 175.26 174.95 1xpu s ARG 212 N -5.40 4.08 0.35 4.30 0.52 -1.26 -1.43 118.95 120.11 1xpu s ARG 212 Ca 0.60 0.65 0.06 0.00 -0.52 0.00 0.00 55.73 56.52 1xpu s ARG 212 Cb -0.12 -2.86 0.73 0.00 0.52 0.00 0.00 34.95 33.22 1xpu s ARG 212 CO 0.51 0.41 1.94 -1.35 0.02 0.00 0.00 175.30 176.83 1xpu h PRO 213 N 3.35 0.76 0.00 3.54 0.11 -1.97 -1.25 132.00 136.53 1xpu h PRO 213 Ca -0.48 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 1xpu h PRO 213 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1xpu h PRO 213 CO 0.66 0.50 -0.63 1.05 -0.21 0.00 0.00 178.00 179.36 1xpu h GLU 214 N 0.78 0.00 0.00 1.05 9.09 -2.02 -3.08 114.58 120.40 1xpu h GLU 214 Ca 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.73 1xpu h GLU 214 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1xpu h GLU 214 CO -0.12 0.63 -0.10 1.49 0.05 0.00 0.00 179.01 180.96 1xpu h GLU 215 N 0.00 0.00 -0.03 1.06 4.57 -1.72 -3.23 114.58 115.23 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 1.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1xpu h GLU 215 CO 0.08 0.10 -0.00 0.28 -1.18 0.00 0.00 179.01 178.29 1xpu h VAL 216 N 0.00 1.27 -0.20 0.32 2.07 -1.17 -3.03 116.25 115.51 1xpu h VAL 216 Ca -0.00 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 1xpu h VAL 216 Cb 1.07 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1xpu h VAL 216 CO 0.01 0.21 -0.30 0.71 0.02 0.00 0.00 177.57 178.23 1xpu h THR 217 N -0.27 1.33 -0.49 2.57 1.35 -1.64 0.26 112.91 116.03 1xpu h THR 217 Ca 0.01 -1.51 0.10 0.00 -0.55 0.00 0.00 66.41 64.45 1xpu h THR 217 Cb 0.35 1.83 -0.08 0.00 -1.73 0.00 0.00 68.15 68.51 1xpu h THR 217 CO 0.00 0.46 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.64 1xpu h GLU 218 N 0.23 0.10 -0.44 4.72 4.81 -1.68 0.16 114.58 122.47 1xpu h GLU 218 Ca 0.02 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1xpu h GLU 218 Cb 0.88 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1xpu h GLU 218 CO 0.07 0.06 0.00 1.98 -0.73 0.00 0.00 179.01 180.40 1xpu h MET 219 N 0.10 0.78 0.00 1.92 4.05 -1.43 -2.76 114.93 117.59 1xpu h MET 219 Ca 0.25 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1xpu h MET 219 Cb 0.38 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1xpu h MET 219 CO -0.43 0.84 -0.04 0.37 0.23 0.00 0.00 176.91 177.89 1xpu h GLN 220 N 0.62 0.00 0.00 0.39 4.15 0.55 -2.04 115.11 118.78 1xpu h GLN 220 Ca 0.13 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.27 1xpu h GLN 220 Cb 0.49 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1xpu h GLN 220 CO 0.02 0.04 -1.69 0.54 -1.93 0.00 0.00 178.83 175.81 1xpu n ARG 221 N -4.39 0.63 0.11 1.69 1.74 0.45 -4.28 116.66 112.61 1xpu n ARG 221 Ca -0.03 0.27 -0.24 0.00 -0.77 0.00 0.00 57.85 57.08 1xpu n ARG 221 Cb 0.12 -1.78 -0.15 0.00 -1.02 0.00 0.00 32.46 29.62 1xpu n ARG 221 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xpu h LEU 222 N 0.00 0.72 -9.05 0.55 3.38 -1.33 -3.45 115.31 106.12 1xpu h LEU 222 Ca -0.27 -0.93 -0.57 0.00 0.09 0.00 0.00 57.88 56.20 1xpu h LEU 222 Cb 1.94 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1xpu h LEU 222 CO 0.07 1.68 1.00 -0.69 0.09 0.00 0.00 178.44 180.59 1xpu s VAL 223 N -2.56 4.03 -0.77 1.22 1.01 -0.78 -4.94 120.40 117.61 1xpu s VAL 223 Ca -0.12 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 1xpu s VAL 223 Cb 0.04 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1xpu s VAL 223 CO 0.90 -0.30 1.37 -0.54 0.00 0.00 0.00 175.10 176.52 1xpu s LYS 224 N 4.09 3.18 0.00 2.72 1.02 -1.26 -4.82 119.74 124.67 1xpu s LYS 224 Ca 0.61 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1xpu s LYS 224 Cb -0.21 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1xpu s LYS 224 CO 0.23 -2.23 0.00 0.41 -0.92 0.00 0.00 175.35 172.84 1xpu n GLY 225 N 5.63 0.33 3.67 -3.33 0.00 -1.26 -4.85 105.19 105.39 1xpu n GLY 225 Ca 0.09 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 4.30 -0.30 1.61 2.12 -0.92 -4.98 118.70 118.53 1xpu s GLU 226 Ca 0.00 1.48 -0.01 0.00 0.36 0.00 0.00 54.97 56.80 1xpu s GLU 226 Cb 0.00 -3.64 0.06 0.00 0.26 0.00 0.00 34.13 30.81 1xpu s GLU 226 CO 0.00 -0.56 -0.01 0.08 -0.54 0.00 0.00 175.26 174.23 1xpu s VAL 227 N 2.89 2.85 -0.32 3.70 1.01 -1.26 -0.92 120.40 128.35 1xpu s VAL 227 Ca 0.49 -1.48 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1xpu s VAL 227 Cb -0.18 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1xpu s VAL 227 CO 0.13 -0.13 0.11 -0.69 0.00 0.00 0.00 175.10 174.52 1xpu s VAL 228 N 1.22 4.08 0.12 2.92 1.01 -0.72 -4.83 120.40 124.19 1xpu s VAL 228 Ca -0.05 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1xpu s VAL 228 Cb -0.20 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1xpu s VAL 228 CO -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 175.10 174.99 1xpu s ALA 229 N 1.50 3.04 -0.01 5.51 0.00 -1.26 -2.16 121.76 128.38 1xpu s ALA 229 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1xpu s ALA 229 Cb -0.18 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1xpu s ALA 229 CO 0.03 0.62 0.01 0.45 0.00 0.00 0.00 175.76 176.88 1xpu s SER 230 N -2.36 0.14 0.15 0.00 0.15 -0.38 -4.77 113.70 106.63 1xpu s SER 230 Ca 0.23 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1xpu s SER 230 Cb -0.11 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1xpu s SER 230 CO 0.15 -0.06 0.23 0.42 1.20 0.00 0.00 173.24 175.18 1xpu s THR 231 N 0.55 5.00 -0.81 6.45 -4.23 -1.26 -1.33 115.64 120.01 1xpu s THR 231 Ca -0.05 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1xpu s THR 231 Cb -0.07 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.25 1xpu s THR 231 CO -0.01 -0.09 1.14 2.22 -0.54 0.00 0.00 174.62 177.33 1xpu n PHE 232 N -0.46 0.16 0.30 3.99 1.16 -0.52 -1.06 117.46 121.03 1xpu n PHE 232 Ca -0.07 0.08 0.17 0.00 -1.87 0.00 0.00 57.45 55.76 1xpu n PHE 232 Cb 0.54 -0.63 0.77 0.00 -1.61 0.00 0.00 39.48 38.55 1xpu n PHE 232 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1xpu h ASP 233 N 0.00 0.00 -2.51 5.98 3.32 -1.93 -3.46 116.42 117.82 1xpu h ASP 233 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1xpu h ASP 233 Cb 0.01 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 1xpu h ASP 233 CO 0.00 0.00 -0.60 -1.61 -1.72 0.00 0.00 179.24 175.31 1xpu s GLU 234 N -3.71 2.65 0.91 3.56 2.02 -0.23 -5.11 118.70 118.80 1xpu s GLU 234 Ca 0.00 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 1xpu s GLU 234 Cb 0.10 -2.45 0.14 0.00 0.10 0.00 0.00 34.13 32.02 1xpu s GLU 234 CO 0.47 0.43 1.13 -2.14 0.02 0.00 0.00 175.26 175.17 1xpu s PRO 235 N -3.37 1.04 0.36 0.39 0.02 -1.26 -4.87 135.00 127.31 1xpu s PRO 235 Ca 0.31 1.43 0.09 0.00 0.02 0.00 0.00 61.00 62.85 1xpu s PRO 235 Cb -0.09 -1.74 0.68 0.00 0.02 0.00 0.00 34.50 33.38 1xpu s PRO 235 CO 0.22 -2.58 1.85 0.00 -0.33 0.00 0.00 177.00 176.16 1xpu h ALA 236 N -1.83 1.38 0.00 -1.55 0.00 -1.97 -1.57 119.26 113.72 1xpu h ALA 236 Ca -0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1xpu h ALA 236 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xpu h ALA 236 CO 0.44 0.43 -0.06 0.66 0.00 0.00 0.00 179.25 180.72 1xpu h SER 237 N 0.20 0.00 0.03 0.00 4.64 -1.92 -2.86 113.55 113.64 1xpu h SER 237 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1xpu h SER 237 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1xpu h SER 237 CO 0.04 0.06 -0.16 -0.09 -0.87 0.00 0.00 176.83 175.81 1xpu h ARG 238 N 0.00 0.06 -0.90 4.77 9.65 -1.64 -2.82 114.38 123.50 1xpu h ARG 238 Ca -0.00 -0.10 0.12 0.00 -1.10 0.00 0.00 59.98 58.90 1xpu h ARG 238 Cb 0.26 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.79 1xpu h ARG 238 CO 0.01 1.03 0.53 0.45 2.80 0.00 0.00 179.97 184.79 1xpu h HIS 239 N -0.85 0.95 -0.56 2.20 -0.00 -1.46 -0.72 115.15 114.72 1xpu h HIS 239 Ca -0.03 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1xpu h HIS 239 Cb 1.11 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 1xpu h HIS 239 CO 0.26 0.34 0.35 0.28 -0.00 0.00 0.00 177.93 179.17 1xpu h VAL 240 N 0.83 1.10 -0.62 2.45 2.07 -1.60 -2.33 116.25 118.15 1xpu h VAL 240 Ca 0.46 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1xpu h VAL 240 Cb 0.50 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1xpu h VAL 240 CO -0.29 0.13 0.21 -0.61 0.02 0.00 0.00 177.57 177.04 1xpu h GLN 241 N 0.71 0.94 -0.63 1.57 4.15 -0.91 -2.09 115.11 118.86 1xpu h GLN 241 Ca 0.21 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1xpu h GLN 241 Cb -0.03 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1xpu h GLN 241 CO -0.07 0.82 0.32 0.28 -1.93 0.00 0.00 178.83 178.25 1xpu h VAL 242 N 0.87 1.21 -0.45 2.39 2.07 -1.10 -1.86 116.25 119.38 1xpu h VAL 242 Ca 0.20 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1xpu h VAL 242 Cb 0.26 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1xpu h VAL 242 CO -0.01 0.24 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 1xpu h ALA 243 N 1.15 0.61 0.00 1.67 0.00 -1.24 -2.50 119.26 118.95 1xpu h ALA 243 Ca 0.22 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xpu h ALA 243 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xpu h ALA 243 CO -0.03 0.42 -0.47 0.93 0.00 0.00 0.00 179.25 180.11 1xpu h GLU 244 N 0.66 0.00 -0.12 0.00 5.08 -1.27 -1.13 114.58 117.80 1xpu h GLU 244 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1xpu h GLU 244 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xpu h GLU 244 CO 0.03 0.47 -0.76 1.98 -1.00 0.00 0.00 179.01 179.73 1xpu h MET 245 N 0.00 0.61 -0.23 2.33 4.05 -1.29 -2.00 114.93 118.40 1xpu h MET 245 Ca -0.00 -0.50 -0.08 0.00 -0.28 0.00 0.00 59.70 58.83 1xpu h MET 245 Cb 1.03 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1xpu h MET 245 CO 0.06 1.12 -0.17 0.28 0.23 0.00 0.00 176.91 178.43 1xpu h VAL 246 N 0.42 1.31 -0.16 -5.77 2.07 -1.31 -2.33 116.25 110.49 1xpu h VAL 246 Ca -0.04 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.03 1xpu h VAL 246 Cb 1.36 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1xpu h VAL 246 CO 0.14 0.40 -0.50 -0.29 0.02 0.00 0.00 177.57 177.35 1xpu h ILE 247 N 0.23 1.33 -0.08 4.57 6.09 -1.26 -0.94 117.51 127.47 1xpu h ILE 247 Ca 0.05 -1.76 -0.16 0.00 -1.37 0.00 0.00 64.86 61.62 1xpu h ILE 247 Cb 0.70 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 1xpu h ILE 247 CO 0.05 0.54 -0.64 -0.33 -3.07 0.00 0.00 178.15 174.69 1xpu h GLU 248 N 0.27 0.29 -0.38 2.19 4.39 -1.47 -1.64 114.58 118.24 1xpu h GLU 248 Ca -0.02 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1xpu h GLU 248 Cb 1.12 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1xpu h GLU 248 CO 0.11 0.84 0.10 -0.22 -1.16 0.00 0.00 179.01 178.67 1xpu h LYS 249 N 0.21 0.60 0.00 2.33 3.64 -1.44 -2.39 116.57 119.52 1xpu h LYS 249 Ca -0.01 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1xpu h LYS 249 Cb 1.17 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1xpu h LYS 249 CO 0.10 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.89 1xpu h ALA 250 N 0.95 1.96 -0.11 5.00 0.00 -0.93 -1.64 119.26 124.48 1xpu h ALA 250 Ca 0.12 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1xpu h ALA 250 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xpu h ALA 250 CO -0.00 0.01 -0.77 0.87 0.00 0.00 0.00 179.25 179.36 1xpu h LYS 251 N 0.00 0.62 0.00 0.00 1.57 -1.08 -2.53 116.57 115.16 1xpu h LYS 251 Ca -0.00 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1xpu h LYS 251 Cb 0.02 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xpu h LYS 251 CO 0.00 1.14 -0.22 0.00 -0.57 0.00 0.00 179.45 179.80 1xpu h ARG 252 N 0.42 0.00 0.26 3.15 2.47 -0.80 -0.55 114.38 119.32 1xpu h ARG 252 Ca -0.05 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 1xpu h ARG 252 Cb 1.38 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.74 1xpu h ARG 252 CO 0.15 0.22 -1.50 -0.07 0.56 0.00 0.00 179.97 179.33 1xpu h LEU 253 N 0.00 0.85 -0.95 3.04 3.38 -1.40 -3.28 115.31 116.96 1xpu h LEU 253 Ca -0.00 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.95 1xpu h LEU 253 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xpu h LEU 253 CO 0.03 1.72 -0.23 0.58 0.09 0.00 0.00 178.44 180.63 1xpu h VAL 254 N 0.15 1.26 -0.25 1.22 2.07 -1.25 -2.46 116.25 116.98 1xpu h VAL 254 Ca -0.26 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.10 1xpu h VAL 254 Cb 2.18 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1xpu h VAL 254 CO 0.28 0.39 0.20 -0.33 0.02 0.00 0.00 177.57 178.13 1xpu h GLU 255 N 0.44 0.00 -0.99 1.57 5.08 -1.19 0.14 114.58 119.64 1xpu h GLU 255 Ca 0.07 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.00 1xpu h GLU 255 Cb 0.64 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.63 1xpu h GLU 255 CO 0.05 0.00 0.55 0.72 -1.00 0.00 0.00 179.01 179.33 1xpu n HIS 256 N -4.27 2.61 -3.52 4.33 8.25 -0.94 -4.70 115.22 116.99 1xpu n HIS 256 Ca 0.03 -1.63 -0.23 0.00 -0.26 0.00 0.00 57.72 55.64 1xpu n HIS 256 Cb 0.35 -0.84 0.05 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.87 -2.65 -4.30 -0.41 5.02 0.50 -5.03 118.16 110.41 1xpu n LYS 257 Ca 0.51 0.66 -0.21 0.00 -2.02 0.00 0.00 58.31 57.24 1xpu n LYS 257 Cb 1.50 -5.06 -0.11 0.00 -0.02 0.00 0.00 35.03 31.33 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 -5.37 1.19 -0.57 1.97 1.02 -1.14 -4.51 119.74 112.33 1xpu s LYS 258 Ca 0.34 -1.33 -0.19 0.00 0.02 0.00 0.00 55.97 54.81 1xpu s LYS 258 Cb -0.08 -1.24 0.09 0.00 -0.52 0.00 0.00 37.83 36.07 1xpu s LYS 258 CO 0.80 0.26 0.70 -0.51 -0.92 0.00 0.00 175.35 175.68 1xpu s ASP 259 N -2.49 6.20 -0.13 2.83 1.01 -1.26 -2.37 116.67 120.45 1xpu s ASP 259 Ca 0.13 -1.24 -0.08 0.00 0.71 0.00 0.00 52.55 52.06 1xpu s ASP 259 Cb -0.06 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1xpu s ASP 259 CO 0.05 -1.07 0.16 -0.69 0.21 0.00 0.00 175.17 173.83 1xpu s VAL 260 N 2.78 5.45 -0.18 -1.27 1.01 -0.26 -0.78 120.40 127.15 1xpu s VAL 260 Ca 0.13 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1xpu s VAL 260 Cb -0.22 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1xpu s VAL 260 CO 0.08 0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 174.94 1xpu s ILE 261 N -0.74 1.98 -0.35 2.22 1.01 0.15 -1.44 121.20 124.03 1xpu s ILE 261 Ca 0.15 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 1xpu s ILE 261 Cb -0.12 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1xpu s ILE 261 CO 0.04 0.52 0.19 -0.63 0.00 0.00 0.00 174.94 175.06 1xpu s ILE 262 N 1.32 4.62 -0.70 2.92 1.01 0.12 -0.14 121.20 130.35 1xpu s ILE 262 Ca 0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 1xpu s ILE 262 Cb -0.13 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.96 1xpu s ILE 262 CO -0.13 -0.13 0.84 -0.76 0.00 0.00 0.00 174.94 174.76 1xpu s LEU 263 N 1.58 5.37 -0.25 2.97 1.43 0.37 -1.14 118.68 129.01 1xpu s LEU 263 Ca 0.03 -1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 51.30 1xpu s LEU 263 Cb -0.18 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1xpu s LEU 263 CO 0.07 -1.08 0.43 -0.22 0.23 0.00 0.00 176.35 175.78 1xpu s LEU 264 N 2.54 4.07 -0.19 1.79 2.96 -0.68 -0.76 118.68 128.41 1xpu s LEU 264 Ca 0.18 0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.32 1xpu s LEU 264 Cb -0.17 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1xpu s LEU 264 CO 0.01 -0.20 0.59 -0.62 -1.32 0.00 0.00 176.35 174.82 1xpu s ASP 265 N 1.47 6.66 -0.23 3.68 2.15 -0.14 -1.84 116.67 128.41 1xpu s ASP 265 Ca 0.18 0.79 -0.07 0.00 0.43 0.00 0.00 52.55 53.88 1xpu s ASP 265 Cb -0.15 -2.33 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1xpu s ASP 265 CO 0.09 -0.23 0.14 -1.54 -0.17 0.00 0.00 175.17 173.47 1xpu n SER 266 N 4.86 -3.44 0.15 -0.34 3.41 -1.16 -3.79 113.62 113.32 1xpu n SER 266 Ca -0.03 1.34 0.03 0.00 -0.26 0.00 0.00 58.87 59.95 1xpu n SER 266 Cb 0.50 -5.16 0.15 0.00 -0.26 0.00 0.00 64.21 59.44 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 3.54 0.94 -0.09 -1.33 6.09 -1.26 -3.08 117.51 122.32 1xpu h ILE 267 Ca -0.33 -2.02 -0.04 0.00 -1.37 0.00 0.00 64.86 61.10 1xpu h ILE 267 Cb 0.74 2.25 -0.01 0.00 0.47 0.00 0.00 36.82 40.26 1xpu h ILE 267 CO 0.05 0.48 -0.15 0.71 -3.07 0.00 0.00 178.15 176.17 1xpu h THR 268 N 0.00 1.16 0.00 2.19 1.35 -1.93 -0.73 112.91 114.95 1xpu h THR 268 Ca -0.00 -0.72 -0.23 0.00 -0.55 0.00 0.00 66.41 64.90 1xpu h THR 268 Cb 1.21 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 1xpu h THR 268 CO 0.06 0.22 -1.21 0.03 -0.25 0.00 0.00 175.52 174.37 1xpu h ARG 269 N 0.13 0.00 -0.47 4.72 2.47 -1.89 -2.60 114.38 116.74 1xpu h ARG 269 Ca 0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1xpu h ARG 269 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1xpu h ARG 269 CO 0.02 0.83 -0.13 1.25 0.56 0.00 0.00 179.97 182.50 1xpu h LEU 270 N 0.00 0.87 -0.40 3.04 5.85 -1.40 -2.66 115.31 120.61 1xpu h LEU 270 Ca -0.10 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 1xpu h LEU 270 Cb 1.84 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 1xpu h LEU 270 CO 0.11 1.01 -0.22 0.00 -0.34 0.00 0.00 178.44 179.00 1xpu h ALA 271 N 1.07 0.57 -0.51 1.25 0.00 -1.19 -1.56 119.26 118.89 1xpu h ALA 271 Ca 0.12 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xpu h ALA 271 Cb 0.65 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1xpu h ALA 271 CO 0.05 0.54 0.10 0.00 0.00 0.00 0.00 179.25 179.94 1xpu h ARG 272 N 0.67 0.23 -0.09 0.00 2.47 -1.41 0.18 114.38 116.43 1xpu h ARG 272 Ca 0.09 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1xpu h ARG 272 Cb 0.78 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1xpu h ARG 272 CO 0.06 0.15 0.00 0.00 0.56 0.00 0.00 179.97 180.75 1xpu h ALA 273 N 1.40 0.12 -0.90 0.04 0.00 -1.38 -2.99 119.26 115.55 1xpu h ALA 273 Ca 0.26 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1xpu h ALA 273 Cb 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1xpu h ALA 273 CO -0.33 -0.19 0.59 1.88 0.00 0.00 0.00 179.25 181.19 1xpu h TYR 274 N -0.12 1.05 -0.58 0.00 0.05 -1.04 -2.81 116.97 113.52 1xpu h TYR 274 Ca 0.03 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1xpu h TYR 274 Cb 0.35 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1xpu h TYR 274 CO 0.03 0.55 0.27 -0.97 -1.05 0.00 0.00 178.16 177.00 1xpu h ASN 275 N 1.03 0.74 1.34 3.88 -0.00 -0.50 -1.88 115.58 120.19 1xpu h ASN 275 Ca 0.39 -0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.61 1xpu h ASN 275 Cb 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1xpu h ASN 275 CO -0.14 0.63 -0.38 0.71 -0.00 0.00 0.00 177.43 178.25 1xpu h THR 276 N 0.82 0.00 0.06 -3.57 1.35 -1.38 -3.31 112.91 106.88 1xpu h THR 276 Ca 0.20 -0.72 -0.30 0.00 -0.55 0.00 0.00 66.41 65.04 1xpu h THR 276 Cb 0.09 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 1xpu h THR 276 CO -0.03 0.00 -1.63 0.58 -0.25 0.00 0.00 175.52 174.20 1xpu h VAL 277 N 0.00 1.00 -3.62 6.82 2.07 -1.27 -3.46 116.25 117.79 1xpu h VAL 277 Ca 0.00 -2.74 -0.62 0.00 0.82 0.00 0.00 66.70 64.16 1xpu h VAL 277 Cb 0.86 2.60 -0.14 0.00 -1.52 0.00 0.00 31.29 33.09 1xpu h VAL 277 CO 0.00 0.72 -0.31 -0.69 0.02 0.00 0.00 177.57 177.31 1xpu s VAL 278 N -2.61 5.24 -0.14 2.57 1.01 -0.74 -5.08 120.40 120.65 1xpu s VAL 278 Ca -0.09 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1xpu s VAL 278 Cb 0.08 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1xpu s VAL 278 CO 0.82 0.24 0.11 -2.16 0.00 0.00 0.00 175.10 174.12 1xpu s PRO 279 N 1.53 3.58 0.00 2.72 0.04 -1.26 -4.89 135.00 136.73 1xpu s PRO 279 Ca 0.14 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1xpu s PRO 279 Cb -0.15 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1xpu s PRO 279 CO 0.08 0.63 0.00 0.00 0.04 0.00 0.00 177.00 177.75 1xpu n ALA 280 N 2.45 0.00 0.00 8.56 0.00 -1.26 -5.08 120.51 125.18 1xpu n ALA 280 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xpu n ALA 280 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1xpu n ALA 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xpu n VAL 284 N 0.00 0.00 -4.42 0.00 0.31 -1.26 -5.04 118.33 107.92 1xpu n VAL 284 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1xpu n VAL 284 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1xpu n VAL 284 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xpu s LEU 285 N 0.00 2.59 -0.45 7.52 1.02 -1.26 -0.54 118.68 127.56 1xpu s LEU 285 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 54.13 53.31 1xpu s LEU 285 Cb 0.00 -1.21 0.18 0.00 0.02 0.00 0.00 46.19 45.17 1xpu s LEU 285 CO 0.00 0.08 0.52 0.28 0.02 0.00 0.00 176.35 177.25 1xpu s THR 286 N -2.05 -0.41 0.00 5.49 -1.32 -0.40 -4.86 115.64 112.09 1xpu s THR 286 Ca 0.25 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 1xpu s THR 286 Cb -0.07 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1xpu s THR 286 CO 0.13 -0.54 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 1xpu n GLY 287 N 3.23 0.61 0.00 6.08 0.00 -1.26 -4.00 105.19 109.85 1xpu n GLY 287 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xpu n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpu n GLY 288 N -0.82 2.81 3.47 -0.02 0.00 -1.26 -3.90 105.19 105.48 1xpu n GLY 288 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.53 4.05 -0.23 1.61 0.11 -1.26 -5.04 120.40 117.12 1xpu s VAL 289 Ca 0.00 -0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 1xpu s VAL 289 Cb 0.00 -2.83 -0.05 0.00 -1.53 0.00 0.00 36.38 31.97 1xpu s VAL 289 CO 0.00 0.43 2.18 -0.62 -3.33 0.00 0.00 175.10 173.76 1xpu s ASP 290 N 0.94 5.49 0.56 3.54 3.68 -1.26 -1.28 116.67 128.34 1xpu s ASP 290 Ca 0.02 1.83 0.30 0.00 2.13 0.00 0.00 52.55 56.82 1xpu s ASP 290 Cb -0.14 -2.51 1.46 0.00 -1.45 0.00 0.00 42.92 40.28 1xpu s ASP 290 CO 0.02 -1.94 1.90 0.00 0.13 0.00 0.00 175.17 175.27 1xpu h ALA 291 N 14.88 2.54 -0.00 3.66 0.00 -1.15 0.25 119.26 139.44 1xpu h ALA 291 Ca -0.40 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1xpu h ALA 291 Cb 1.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1xpu h ALA 291 CO 0.97 -0.90 -0.62 -0.97 0.00 0.00 0.00 179.25 177.73 1xpu h ASN 292 N 0.00 0.02 1.18 0.00 -0.73 -1.89 -3.35 115.58 110.82 1xpu h ASN 292 Ca 0.32 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1xpu h ASN 292 Cb 1.43 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.01 1xpu h ASN 292 CO -0.00 0.64 0.00 0.00 -0.37 0.00 0.00 177.43 177.69 1xpu h ALA 293 N 1.36 1.00 0.00 1.57 0.00 -0.83 -3.05 119.26 119.31 1xpu h ALA 293 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xpu h ALA 293 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xpu h ALA 293 CO 0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1xpu n LEU 294 N -2.67 0.00 -0.05 0.00 4.77 -1.25 -3.40 117.00 114.40 1xpu n LEU 294 Ca 0.03 0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1xpu n LEU 294 Cb 0.34 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.61 1xpu n LEU 294 CO 0.27 -0.02 1.00 -0.74 -1.33 0.00 0.00 177.39 176.56 1xpu h HIS 295 N 0.00 0.66 0.00 -1.77 2.76 -1.81 -2.72 115.15 112.27 1xpu h HIS 295 Ca 0.00 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 1xpu h HIS 295 Cb 0.08 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1xpu h HIS 295 CO 0.00 0.57 -0.11 0.00 -1.30 0.00 0.00 177.93 177.09 1xpu h ARG 296 N 0.63 0.07 -0.71 5.26 2.47 -1.84 -2.63 114.38 117.64 1xpu h ARG 296 Ca 0.15 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1xpu h ARG 296 Cb 0.24 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 1xpu h ARG 296 CO -0.00 0.86 0.47 -1.35 0.56 0.00 0.00 179.97 180.51 1xpu h PRO 297 N -0.68 0.92 0.00 0.04 0.11 -1.78 -1.75 132.00 128.86 1xpu h PRO 297 Ca -0.01 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1xpu h PRO 297 Cb 0.90 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1xpu h PRO 297 CO 0.02 0.61 -0.19 0.87 -0.21 0.00 0.00 178.00 179.10 1xpu h LYS 298 N 0.95 0.00 -0.07 1.05 1.57 -1.52 -1.52 116.57 117.02 1xpu h LYS 298 Ca 0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1xpu h LYS 298 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1xpu h LYS 298 CO -0.06 0.19 -0.07 0.00 -0.57 0.00 0.00 179.45 178.94 1xpu h ARG 299 N 0.00 0.17 0.32 3.15 3.08 -0.95 -0.15 114.38 120.00 1xpu h ARG 299 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xpu h ARG 299 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1xpu h ARG 299 CO 0.02 0.61 -0.42 0.35 -1.07 0.00 0.00 179.97 179.47 1xpu h PHE 300 N -0.26 -1.17 -0.42 3.04 3.57 -1.09 -2.19 116.94 118.42 1xpu h PHE 300 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1xpu h PHE 300 Cb 0.58 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1xpu h PHE 300 CO 0.09 -0.53 0.14 0.35 -2.23 0.00 0.00 178.31 176.13 1xpu h PHE 301 N -0.76 0.61 0.00 0.41 3.57 -1.40 -2.72 116.94 116.66 1xpu h PHE 301 Ca -0.04 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1xpu h PHE 301 Cb 0.68 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1xpu h PHE 301 CO -0.28 0.50 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 1xpu n GLY 302 N -1.10 -1.22 0.22 2.40 0.00 -0.07 -3.09 105.19 102.34 1xpu n GLY 302 Ca 0.03 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 3.13 0.95 -2.33 4.61 0.00 -1.06 -3.45 119.26 121.12 1xpu h ALA 303 Ca 0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 1xpu h ALA 303 Cb 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xpu h ALA 303 CO 0.00 0.13 1.18 0.00 0.00 0.00 0.00 179.25 180.55 1xpu s ALA 304 N -3.30 3.60 -0.09 0.00 0.00 -1.18 -4.86 121.76 115.93 1xpu s ALA 304 Ca 0.05 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1xpu s ALA 304 Cb 0.07 -3.81 0.09 0.00 0.00 0.00 0.00 23.12 19.47 1xpu s ALA 304 CO 0.65 -1.50 0.78 -0.98 0.00 0.00 0.00 175.76 174.72 1xpu s ARG 305 N 4.26 0.91 0.07 0.00 1.70 0.14 -4.70 118.95 121.32 1xpu s ARG 305 Ca 0.83 0.24 -0.28 0.00 -0.47 0.00 0.00 55.73 56.05 1xpu s ARG 305 Cb -0.39 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1xpu s ARG 305 CO 0.37 -0.28 0.88 1.21 -1.08 0.00 0.00 175.30 176.40 1xpu s ASN 306 N -1.12 7.36 -0.21 -2.89 2.47 -1.22 -0.41 114.94 118.92 1xpu s ASN 306 Ca -0.08 1.63 -0.10 0.00 0.42 0.00 0.00 52.86 54.72 1xpu s ASN 306 Cb -0.00 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.21 1xpu s ASN 306 CO 0.07 -0.06 0.14 -0.69 -3.72 0.00 0.00 177.10 172.84 1xpu s VAL 307 N 0.15 5.39 0.11 -5.21 1.01 -0.76 -2.99 120.40 118.10 1xpu s VAL 307 Ca 0.44 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 1xpu s VAL 307 Cb -0.22 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1xpu s VAL 307 CO 0.27 0.41 1.72 -0.08 0.00 0.00 0.00 175.10 177.42 1xpu h GLU 308 N 6.87 -0.01 -1.96 2.72 4.81 -1.82 -2.89 114.58 122.29 1xpu h GLU 308 Ca -0.40 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.71 1xpu h GLU 308 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1xpu h GLU 308 CO 0.74 -0.01 -0.07 -0.85 -0.73 0.00 0.00 179.01 178.08 1xpu n GLU 309 N -5.15 1.47 -0.10 1.92 0.00 -1.26 -4.91 120.64 112.61 1xpu n GLU 309 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 57.16 56.53 1xpu n GLU 309 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1xpu n GLU 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xpu n GLY 310 N 1.70 -2.90 0.00 -1.84 0.00 -1.09 -4.96 105.19 96.10 1xpu n GLY 310 Ca 0.19 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 3.53 -0.02 0.00 -1.26 -4.68 105.19 99.76 1xpu n GLY 311 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.54 -0.58 -0.15 1.61 1.04 -1.00 -1.83 113.70 109.25 1xpu s SER 312 Ca 0.00 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1xpu s SER 312 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1xpu s SER 312 CO 0.00 -0.58 -0.21 -0.22 0.98 0.00 0.00 173.24 173.21 1xpu s LEU 313 N -1.31 2.15 -0.10 2.42 2.96 0.46 -1.11 118.68 124.15 1xpu s LEU 313 Ca -0.08 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1xpu s LEU 313 Cb -0.00 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.24 1xpu s LEU 313 CO 0.06 0.06 -0.13 0.28 -1.32 0.00 0.00 176.35 175.30 1xpu s THR 314 N 0.91 1.34 -0.17 3.68 -1.32 -0.52 0.25 115.64 119.82 1xpu s THR 314 Ca -0.05 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 1xpu s THR 314 Cb -0.15 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1xpu s THR 314 CO -0.04 0.41 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.99 1xpu s ILE 315 N 1.02 2.53 -0.43 5.08 1.01 -0.48 0.14 121.20 130.07 1xpu s ILE 315 Ca -0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1xpu s ILE 315 Cb -0.15 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.36 1xpu s ILE 315 CO -0.01 0.51 0.25 -0.63 0.00 0.00 0.00 174.94 175.06 1xpu s ILE 316 N 1.02 3.53 -0.09 2.92 -1.09 -0.29 -0.57 121.20 126.63 1xpu s ILE 316 Ca -0.02 -2.01 -0.02 0.00 -2.23 0.00 0.00 60.65 56.37 1xpu s ILE 316 Cb -0.15 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1xpu s ILE 316 CO -0.04 -0.72 0.01 0.00 -1.23 0.00 0.00 174.94 172.96 1xpu s ALA 317 N 1.17 3.32 0.03 9.38 0.00 0.36 -1.69 121.76 134.33 1xpu s ALA 317 Ca 0.08 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1xpu s ALA 317 Cb -0.24 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 1xpu s ALA 317 CO -0.03 0.59 0.54 0.95 0.00 0.00 0.00 175.76 177.81 1xpu s THR 318 N -0.90 4.85 -0.27 0.00 -4.23 -0.77 -0.41 115.64 113.91 1xpu s THR 318 Ca 0.13 1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 61.72 1xpu s THR 318 Cb -0.11 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.87 1xpu s THR 318 CO 0.02 0.52 0.04 0.00 -0.54 0.00 0.00 174.62 174.67 1xpu s ALA 319 N -0.83 2.99 -0.20 3.99 0.00 0.68 -0.84 121.76 127.55 1xpu s ALA 319 Ca 0.28 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1xpu s ALA 319 Cb -0.18 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 1xpu s ALA 319 CO 0.17 -0.81 1.24 -0.51 0.00 0.00 0.00 175.76 175.85 1xpu s LEU 320 N 1.48 4.10 0.23 0.00 1.02 -1.26 -2.15 118.68 122.09 1xpu s LEU 320 Ca 0.03 1.54 0.10 0.00 0.02 0.00 0.00 54.13 55.82 1xpu s LEU 320 Cb -0.17 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 1xpu s LEU 320 CO 0.01 -0.82 -0.18 -0.63 0.02 0.00 0.00 176.35 174.75 1xpu s ILE 321 N 3.66 2.09 -1.42 -0.59 1.01 -0.12 -4.71 121.20 121.11 1xpu s ILE 321 Ca 0.54 -2.23 -0.00 0.00 0.00 0.00 0.00 60.65 58.96 1xpu s ILE 321 Cb -0.20 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1xpu s ILE 321 CO 0.15 -0.44 0.03 0.47 0.00 0.00 0.00 174.94 175.16 1xpu n ASP 322 N -0.31 -4.93 0.14 3.58 8.00 -1.26 -3.86 116.55 117.91 1xpu n ASP 322 Ca -0.08 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 1xpu n ASP 322 Cb 0.59 -4.13 0.21 0.00 -0.02 0.00 0.00 41.12 37.78 1xpu n ASP 322 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1xpu h THR 323 N -0.06 1.39 0.00 -3.53 2.02 -1.93 -3.43 112.91 107.36 1xpu h THR 323 Ca -0.40 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1xpu h THR 323 Cb 1.29 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1xpu h THR 323 CO 0.47 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.51 1xpu n GLY 324 N 0.06 1.14 2.95 2.16 0.00 -1.26 -5.08 105.19 105.15 1xpu n GLY 324 Ca -0.01 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1xpu n GLY 324 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpu s SER 325 N -2.32 2.15 0.49 1.61 0.15 -1.26 -5.03 113.70 109.49 1xpu s SER 325 Ca 0.00 -0.32 0.16 0.00 0.70 0.00 0.00 55.95 56.49 1xpu s SER 325 Cb 0.00 -0.88 1.18 0.00 -1.71 0.00 0.00 66.02 64.61 1xpu s SER 325 CO 0.00 -0.08 2.08 0.50 1.20 0.00 0.00 173.24 176.95 1xpu h LYS 326 N 7.88 0.00 0.25 5.44 1.63 -1.98 -2.28 116.57 127.51 1xpu h LYS 326 Ca -0.31 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1xpu h LYS 326 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1xpu h LYS 326 CO 0.44 0.08 -0.12 0.52 -3.45 0.00 0.00 179.45 176.92 1xpu h MET 327 N 0.00 -0.32 -0.72 1.90 2.86 -1.96 -2.63 114.93 114.06 1xpu h MET 327 Ca -0.00 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1xpu h MET 327 Cb 0.15 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1xpu h MET 327 CO 0.01 -0.10 0.47 -0.44 1.06 0.00 0.00 176.91 177.91 1xpu h ASP 328 N -0.50 0.67 0.32 1.22 3.32 -1.77 -0.95 116.42 118.73 1xpu h ASP 328 Ca -0.03 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 1xpu h ASP 328 Cb 0.37 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xpu h ASP 328 CO 0.06 0.44 -0.65 -0.33 -1.72 0.00 0.00 179.24 177.03 1xpu h GLU 329 N 0.76 0.30 -0.03 3.56 4.39 -1.48 -2.82 114.58 119.26 1xpu h GLU 329 Ca 0.31 -0.23 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 1xpu h GLU 329 Cb 0.23 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1xpu h GLU 329 CO -0.10 0.85 -0.91 0.28 -1.16 0.00 0.00 179.01 177.97 1xpu h VAL 330 N 0.22 1.36 -0.52 3.13 2.07 -0.99 -3.06 116.25 118.45 1xpu h VAL 330 Ca -0.01 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1xpu h VAL 330 Cb 1.19 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1xpu h VAL 330 CO 0.11 0.70 0.34 0.40 0.02 0.00 0.00 177.57 179.14 1xpu h ILE 331 N 0.31 1.13 -0.45 4.57 2.04 -1.20 -2.33 117.51 121.59 1xpu h ILE 331 Ca -0.08 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xpu h ILE 331 Cb 1.54 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1xpu h ILE 331 CO 0.17 0.13 0.30 0.22 0.00 0.00 0.00 178.15 178.96 1xpu h TYR 332 N 0.71 0.57 -0.63 1.37 3.20 -1.54 -2.75 116.97 117.89 1xpu h TYR 332 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1xpu h TYR 332 Cb -0.08 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1xpu h TYR 332 CO -0.04 0.36 0.15 0.93 -1.64 0.00 0.00 178.16 177.93 1xpu h GLU 333 N 0.62 1.01 0.00 1.82 4.39 -1.32 -2.35 114.58 118.75 1xpu h GLU 333 Ca 0.17 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1xpu h GLU 333 Cb -0.07 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1xpu h GLU 333 CO -0.04 0.92 -0.16 0.93 -1.16 0.00 0.00 179.01 179.50 1xpu h GLU 334 N 0.93 0.00 -0.01 2.33 4.39 -1.23 -2.92 114.58 118.07 1xpu h GLU 334 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1xpu h GLU 334 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1xpu h GLU 334 CO 0.00 0.16 -0.28 1.19 -1.16 0.00 0.00 179.01 178.92 1xpu n PHE 335 N -3.22 0.00 -1.65 4.33 3.01 -1.08 -4.87 117.46 113.97 1xpu n PHE 335 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 1xpu n PHE 335 Cb 0.48 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1xpu n PHE 335 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xpu n LYS 336 N -0.50 2.64 -1.00 -1.08 5.02 -0.90 -2.28 118.16 120.06 1xpu n LYS 336 Ca 0.12 0.95 -0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1xpu n LYS 336 Cb 0.37 -2.98 -0.00 0.00 -0.02 0.00 0.00 35.03 32.40 1xpu n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xpu n GLY 337 N 4.70 0.41 0.09 0.72 0.00 -1.26 -4.91 105.19 104.94 1xpu n GLY 337 Ca 0.22 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1xpu n GLY 337 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xpu h THR 338 N 0.00 0.85 -4.07 2.61 1.35 -1.79 -3.47 112.91 108.39 1xpu h THR 338 Ca -0.00 -2.69 -0.50 0.00 -0.55 0.00 0.00 66.41 62.67 1xpu h THR 338 Cb 0.00 2.44 0.05 0.00 -1.73 0.00 0.00 68.15 68.91 1xpu h THR 338 CO 0.00 0.53 0.30 -0.83 -0.25 0.00 0.00 175.52 175.28 1xpu s GLY 339 N -5.14 1.64 -0.02 5.82 0.00 -1.26 -4.99 107.32 103.37 1xpu s GLY 339 Ca -0.06 -0.21 0.14 0.00 0.00 0.00 0.00 44.72 44.59 1xpu s GLY 339 CO 0.82 0.02 1.36 1.16 0.00 0.00 0.00 173.10 176.46 1xpu n ASN 340 N -2.47 3.36 -3.64 1.64 0.23 -0.71 -4.93 115.26 108.74 1xpu n ASN 340 Ca 0.04 -2.11 -0.09 0.00 -0.53 0.00 0.00 54.58 51.89 1xpu n ASN 340 Cb 0.54 -0.34 -0.07 0.00 -2.08 0.00 0.00 39.78 37.83 1xpu n ASN 340 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1xpu s MET 341 N -1.20 0.72 -0.12 -3.83 0.00 -1.19 -0.37 119.30 113.32 1xpu s MET 341 Ca 0.32 1.12 -0.08 0.00 0.00 0.00 0.00 55.69 57.05 1xpu s MET 341 Cb 0.18 0.21 0.04 0.00 0.00 0.00 0.00 34.83 35.26 1xpu s MET 341 CO 0.20 -0.13 0.29 -1.83 0.00 0.00 0.00 175.02 173.55 1xpu s GLU 342 N 1.22 0.30 -0.17 4.11 -1.05 -0.97 -0.78 118.70 121.37 1xpu s GLU 342 Ca -0.07 0.50 0.01 0.00 -0.15 0.00 0.00 54.97 55.26 1xpu s GLU 342 Cb -0.05 0.04 0.03 0.00 -0.44 0.00 0.00 34.13 33.70 1xpu s GLU 342 CO -0.13 -0.10 -0.13 -1.17 0.95 0.00 0.00 175.26 174.68 1xpu s LEU 343 N 0.73 1.93 -0.02 1.83 2.96 -0.84 -2.35 118.68 122.92 1xpu s LEU 343 Ca -0.05 -0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 53.08 1xpu s LEU 343 Cb -0.06 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 1xpu s LEU 343 CO -0.05 -0.09 0.39 -1.00 -1.32 0.00 0.00 176.35 174.29 1xpu s HIS 344 N 1.44 3.70 0.11 5.38 3.76 -1.26 -1.44 115.29 126.98 1xpu s HIS 344 Ca 0.03 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 55.92 1xpu s HIS 344 Cb -0.14 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1xpu s HIS 344 CO -0.10 0.62 0.11 -0.51 -0.85 0.00 0.00 174.74 174.01 1xpu s LEU 345 N -0.95 3.86 -0.10 0.89 1.43 0.55 -0.73 118.68 123.64 1xpu s LEU 345 Ca 0.23 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1xpu s LEU 345 Cb -0.16 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.55 1xpu s LEU 345 CO 0.12 0.13 -0.20 -0.55 0.23 0.00 0.00 176.35 176.09 1xpu s SER 346 N -2.66 2.69 0.29 2.29 0.15 -1.18 -4.37 113.70 110.92 1xpu s SER 346 Ca 0.30 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1xpu s SER 346 Cb -0.11 -1.23 0.62 0.00 -1.71 0.00 0.00 66.02 63.59 1xpu s SER 346 CO 0.23 0.11 1.82 -0.09 1.20 0.00 0.00 173.24 176.50 1xpu h ARG 347 N 6.90 0.89 -0.07 5.44 9.65 -1.92 -2.97 114.38 132.30 1xpu h ARG 347 Ca -0.24 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.62 1xpu h ARG 347 Cb 1.22 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 1xpu h ARG 347 CO 0.48 0.59 -0.25 0.87 2.80 0.00 0.00 179.97 184.45 1xpu h LYS 348 N 0.91 -0.34 -0.40 0.20 1.57 -1.96 -0.76 116.57 115.79 1xpu h LYS 348 Ca 0.53 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.30 1xpu h LYS 348 Cb 0.64 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1xpu h LYS 348 CO -0.30 -0.23 0.13 0.82 -0.57 0.00 0.00 179.45 179.30 1xpu h ILE 349 N -0.35 1.16 0.00 1.86 5.03 -1.84 -1.36 117.51 122.01 1xpu h ILE 349 Ca 0.08 -0.54 0.00 0.00 -0.12 0.00 0.00 64.86 64.28 1xpu h ILE 349 Cb 0.47 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 1xpu h ILE 349 CO -0.27 0.20 0.00 0.00 -0.68 0.00 0.00 178.15 177.40 1xpu h ALA 350 N 1.59 1.00 -0.66 1.87 0.00 -1.32 -2.65 119.26 119.09 1xpu h ALA 350 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xpu h ALA 350 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xpu h ALA 350 CO -0.01 0.00 0.21 0.93 0.00 0.00 0.00 179.25 180.38 1xpu h GLU 351 N 0.00 0.99 -0.97 0.00 4.39 0.03 -2.84 114.58 116.19 1xpu h GLU 351 Ca 0.00 -0.19 -0.58 0.00 0.34 0.00 0.00 59.36 58.93 1xpu h GLU 351 Cb 0.65 -0.16 -0.30 0.00 -0.10 0.00 0.00 28.75 28.85 1xpu h GLU 351 CO 0.00 0.85 0.69 1.17 -1.16 0.00 0.00 179.01 180.56 1xpu n LYS 352 N -4.28 2.48 -3.94 2.33 4.81 -1.17 -4.93 118.16 113.46 1xpu n LYS 352 Ca 0.05 -3.18 -0.36 0.00 -0.87 0.00 0.00 58.31 53.95 1xpu n LYS 352 Cb 0.21 -2.22 0.01 0.00 0.02 0.00 0.00 35.03 33.05 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xpu n ARG 353 N -1.03 -0.81 -4.73 1.64 1.74 -1.07 -4.96 116.66 107.43 1xpu n ARG 353 Ca 0.60 0.35 -0.26 0.00 -0.77 0.00 0.00 57.85 57.77 1xpu n ARG 353 Cb 1.15 -2.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.20 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xpu s VAL 354 N -3.29 1.32 -0.00 1.55 1.01 -1.01 -5.04 120.40 114.94 1xpu s VAL 354 Ca 0.26 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1xpu s VAL 354 Cb -0.14 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1xpu s VAL 354 CO 0.91 0.39 -0.08 -0.36 0.00 0.00 0.00 175.10 175.96 1xpu s PHE 355 N 0.39 0.74 1.11 5.22 0.08 -1.26 -4.10 117.98 120.16 1xpu s PHE 355 Ca -0.11 -0.16 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1xpu s PHE 355 Cb -0.14 -0.47 0.25 0.00 -0.57 0.00 0.00 43.02 42.09 1xpu s PHE 355 CO 0.04 -0.01 1.20 -1.25 -0.10 0.00 0.00 175.22 175.09 1xpu s PRO 356 N -0.31 -0.49 0.00 0.24 0.04 -1.26 -4.87 135.00 128.35 1xpu s PRO 356 Ca 0.02 -0.23 0.24 0.00 0.04 0.00 0.00 61.00 61.08 1xpu s PRO 356 Cb -0.04 -1.70 0.54 0.00 0.04 0.00 0.00 34.50 33.34 1xpu s PRO 356 CO -0.00 -3.19 1.45 0.00 0.04 0.00 0.00 177.00 175.30 1xpu n ALA 357 N -4.36 2.49 -0.90 8.56 0.00 -1.26 -4.94 120.51 120.10 1xpu n ALA 357 Ca 0.14 -0.68 -0.40 0.00 0.00 0.00 0.00 53.44 52.50 1xpu n ALA 357 Cb 0.59 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1xpu n ALA 357 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xpu n ILE 358 N 0.94 0.00 -2.26 0.00 5.41 -1.26 -3.10 119.36 119.09 1xpu n ILE 358 Ca 0.17 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.56 1xpu n ILE 358 Cb 0.50 -0.32 -0.04 0.00 -0.71 0.00 0.00 39.64 39.07 1xpu n ILE 358 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xpu s ASP 359 N 3.37 5.67 0.36 4.38 -1.08 0.09 -4.80 116.67 124.66 1xpu s ASP 359 Ca 0.75 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 52.36 1xpu s ASP 359 Cb -0.97 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 38.62 1xpu s ASP 359 CO 0.46 -2.19 1.99 0.22 0.52 0.00 0.00 175.17 176.16 1xpu h TYR 360 N 11.86 0.77 -0.11 -5.34 3.20 -1.86 -2.42 116.97 123.07 1xpu h TYR 360 Ca -0.08 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 1xpu h TYR 360 Cb 1.06 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1xpu h TYR 360 CO 1.16 0.45 -0.50 -0.91 -1.64 0.00 0.00 178.16 176.72 1xpu h ASN 361 N 0.80 0.33 0.47 -2.11 2.35 -1.92 -3.16 115.58 112.35 1xpu h ASN 361 Ca 0.27 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xpu h ASN 361 Cb 0.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1xpu h ASN 361 CO -0.07 0.78 -0.72 -1.14 -1.65 0.00 0.00 177.43 174.63 1xpu n ARG 362 N -3.96 0.12 -2.09 0.81 0.63 -1.05 -4.94 116.66 106.18 1xpu n ARG 362 Ca -0.02 0.01 -0.25 0.00 -0.92 0.00 0.00 57.85 56.67 1xpu n ARG 362 Cb 0.55 -1.55 0.16 0.00 0.45 0.00 0.00 32.46 32.07 1xpu n ARG 362 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1xpu n SER 363 N -1.71 0.62 0.00 6.15 7.64 -0.94 -4.77 113.62 120.61 1xpu n SER 363 Ca 0.04 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1xpu n SER 363 Cb 0.38 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1xpu n SER 363 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpu n GLY 364 N -2.80 3.99 3.26 0.23 0.00 -0.99 -4.96 105.19 103.92 1xpu n GLY 364 Ca 0.16 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.35 1.55 0.37 2.61 -4.23 -1.26 -2.28 115.64 110.05 1xpu s THR 365 Ca 0.00 -1.58 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 1xpu s THR 365 Cb 0.00 -1.50 -0.09 0.00 1.34 0.00 0.00 72.50 72.25 1xpu s THR 365 CO 0.00 -0.19 1.05 -0.13 -0.54 0.00 0.00 174.62 174.81 1xpu s ARG 366 N -2.13 4.29 -1.30 3.99 0.52 0.50 -3.91 118.95 120.92 1xpu s ARG 366 Ca 0.07 1.55 -0.05 0.00 -0.52 0.00 0.00 55.73 56.77 1xpu s ARG 366 Cb -0.09 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1xpu s ARG 366 CO 0.04 -0.03 1.07 1.63 0.02 0.00 0.00 175.30 178.02 1xpu n LYS 367 N 0.23 -7.08 0.24 3.54 4.76 -1.26 -4.91 118.16 113.68 1xpu n LYS 367 Ca 0.04 0.81 0.07 0.00 -2.87 0.00 0.00 58.31 56.35 1xpu n LYS 367 Cb 0.49 -5.81 0.57 0.00 -1.84 0.00 0.00 35.03 28.44 1xpu n LYS 367 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1xpu h GLU 368 N -2.29 0.00 0.00 1.97 5.08 -1.97 -2.45 114.58 114.92 1xpu h GLU 368 Ca -0.58 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1xpu h GLU 368 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1xpu h GLU 368 CO 0.54 0.11 0.00 1.05 -1.00 0.00 0.00 179.01 179.71 1xpu h GLU 369 N 0.00 0.00 -0.02 2.33 9.09 -1.90 0.75 114.58 124.82 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 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1xpu h GLU 369 CO 0.01 0.00 -0.17 1.28 0.05 0.00 0.00 179.01 180.19 1xpu n LEU 370 N -2.77 2.64 -0.09 3.06 4.32 -0.92 -4.25 117.00 118.98 1xpu n LEU 370 Ca -0.02 -0.91 0.05 0.00 -0.02 0.00 0.00 56.01 55.12 1xpu n LEU 370 Cb 0.09 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.85 1xpu n LEU 370 CO 0.17 0.45 0.07 0.18 -1.22 0.00 0.00 177.39 177.04 1xpu n LEU 371 N 0.85 0.79 -4.30 2.23 4.77 0.20 -3.39 117.00 118.16 1xpu n LEU 371 Ca 0.12 -0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 55.35 1xpu n LEU 371 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1xpu n LEU 371 CO 0.20 0.17 -0.27 0.42 -1.33 0.00 0.00 177.39 176.58 1xpu s THR 372 N -1.79 0.58 0.57 -5.08 -4.23 -0.86 -4.51 115.64 100.33 1xpu s THR 372 Ca 0.06 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1xpu s THR 372 Cb 0.08 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.36 1xpu s THR 372 CO 0.37 -0.12 1.01 0.42 -0.54 0.00 0.00 174.62 175.77 1xpu s THR 373 N -3.73 4.59 0.37 3.99 -4.23 -1.26 -4.86 115.64 110.50 1xpu s THR 373 Ca 0.34 1.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.94 1xpu s THR 373 Cb 0.07 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.41 1xpu s THR 373 CO 0.11 -0.90 2.01 -0.61 -0.54 0.00 0.00 174.62 174.69 1xpu h GLN 374 N 0.29 0.75 0.03 3.99 4.15 -1.99 0.15 115.11 122.48 1xpu h GLN 374 Ca -0.45 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 58.67 1xpu h GLN 374 Cb 1.19 -0.17 0.02 0.00 0.21 0.00 0.00 27.48 28.73 1xpu h GLN 374 CO 0.62 0.50 -1.01 0.93 -1.93 0.00 0.00 178.83 177.93 1xpu h GLU 375 N 0.77 0.63 -0.46 1.69 3.07 -1.99 -2.86 114.58 115.41 1xpu h GLU 375 Ca 0.23 -0.72 -0.02 0.00 -0.50 0.00 0.00 59.36 58.36 1xpu h GLU 375 Cb -0.02 0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1xpu h GLU 375 CO -0.06 1.30 0.22 1.49 -1.40 0.00 0.00 179.01 180.57 1xpu h GLU 376 N 0.26 0.67 -0.90 2.33 4.81 -1.82 -1.50 114.58 118.42 1xpu h GLU 376 Ca -0.14 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1xpu h GLU 376 Cb 1.68 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.88 1xpu h GLU 376 CO 0.20 0.57 0.58 1.25 -0.73 0.00 0.00 179.01 180.88 1xpu h LEU 377 N 0.61 0.85 0.12 1.64 5.85 -0.79 -2.37 115.31 121.22 1xpu h LEU 377 Ca 0.16 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1xpu h LEU 377 Cb 0.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1xpu h LEU 377 CO -0.02 0.52 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.93 1xpu h GLN 378 N 0.95 -0.15 -0.77 1.25 4.15 -1.20 -2.36 115.11 116.97 1xpu h GLN 378 Ca 0.41 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.02 1xpu h GLN 378 Cb 0.33 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 27.93 1xpu h GLN 378 CO -0.17 0.24 0.12 -0.22 -1.93 0.00 0.00 178.83 176.88 1xpu h LYS 379 N -0.59 0.19 -0.76 1.69 3.11 -1.12 0.20 116.57 119.29 1xpu h LYS 379 Ca -0.02 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.85 1xpu h LYS 379 Cb 0.47 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.61 1xpu h LYS 379 CO 0.03 0.12 0.47 0.52 -2.81 0.00 0.00 179.45 177.78 1xpu h MET 380 N 0.19 0.88 0.00 1.90 2.86 -1.39 0.17 114.93 119.55 1xpu h MET 380 Ca 0.44 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1xpu h MET 380 Cb 0.80 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1xpu h MET 380 CO -0.60 0.58 0.00 -1.49 1.06 0.00 0.00 176.91 176.47 1xpu h TRP 381 N 0.91 0.00 0.00 -0.22 4.06 -0.15 0.19 115.95 120.74 1xpu h TRP 381 Ca 0.31 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.26 1xpu h TRP 381 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1xpu h TRP 381 CO -0.04 0.00 -0.00 0.82 -3.56 0.00 0.00 178.44 175.66 1xpu h ILE 382 N 0.00 1.44 -0.98 1.49 5.03 -0.38 -3.03 117.51 121.08 1xpu h ILE 382 Ca 0.00 -2.04 0.18 0.00 -0.12 0.00 0.00 64.86 62.88 1xpu h ILE 382 Cb 0.66 2.70 -0.10 0.00 -3.03 0.00 0.00 36.82 37.05 1xpu h ILE 382 CO 0.00 0.48 0.58 0.25 -0.68 0.00 0.00 178.15 178.78 1xpu h LEU 383 N -0.98 0.75 -0.27 1.44 6.46 -0.51 -1.59 115.31 120.61 1xpu h LEU 383 Ca -0.00 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1xpu h LEU 383 Cb 0.79 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1xpu h LEU 383 CO 0.00 0.29 0.02 -0.09 -0.62 0.00 0.00 178.44 178.04 1xpu h ARG 384 N 0.76 0.46 0.00 1.25 2.43 -0.75 -2.98 114.38 115.54 1xpu h ARG 384 Ca 0.55 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1xpu h ARG 384 Cb 0.82 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1xpu h ARG 384 CO -0.37 0.60 -0.38 0.87 -1.51 0.00 0.00 179.97 179.18 1xpu h LYS 385 N 0.25 0.00 0.00 0.20 1.57 -1.19 0.14 116.57 117.54 1xpu h LYS 385 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xpu h LYS 385 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xpu h LYS 385 CO 0.01 0.38 -0.11 0.82 -0.57 0.00 0.00 179.45 179.98 1xpu h ILE 386 N 0.00 0.26 0.00 1.86 1.08 -1.30 -3.30 117.51 116.11 1xpu h ILE 386 Ca -0.00 -0.90 -0.10 0.00 -0.39 0.00 0.00 64.86 63.46 1xpu h ILE 386 Cb 0.73 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1xpu h ILE 386 CO 0.05 0.11 -1.93 -0.38 -0.69 0.00 0.00 178.15 175.31 1xpu n ILE 387 N -3.22 0.36 -0.21 -0.67 5.41 -0.69 -4.67 119.36 115.67 1xpu n ILE 387 Ca 0.01 -0.51 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 1xpu n ILE 387 Cb 0.41 -0.12 0.04 0.00 -0.71 0.00 0.00 39.64 39.26 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 -0.66 0.00 1.39 2.76 -0.84 -1.40 115.15 116.40 1xpu h HIS 388 Ca -0.14 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1xpu h HIS 388 Cb 1.21 0.39 0.00 0.00 1.55 0.00 0.00 27.41 30.55 1xpu h HIS 388 CO 0.00 -0.34 0.00 -2.30 -1.30 0.00 0.00 177.93 173.99 1xpu n PRO 389 N -5.44 0.63 -3.01 5.26 -0.02 -1.26 -4.86 135.00 126.30 1xpu n PRO 389 Ca 0.06 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 1xpu n PRO 389 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 1xpu n PRO 389 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1xpu s MET 390 N -2.27 3.67 0.75 -0.52 -1.94 -0.53 -5.08 119.30 113.38 1xpu s MET 390 Ca 0.34 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.43 1xpu s MET 390 Cb 0.18 -2.49 0.04 0.00 2.01 0.00 0.00 34.83 34.58 1xpu s MET 390 CO 0.36 0.03 1.08 0.20 -0.01 0.00 0.00 175.02 176.68 1xpu s GLY 391 N -3.39 1.67 0.17 -0.03 0.00 -1.26 -4.78 107.32 99.70 1xpu s GLY 391 Ca 0.47 0.19 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 1xpu s GLY 391 CO 0.34 0.53 1.71 0.83 0.00 0.00 0.00 173.10 176.51 1xpu h GLU 392 N -1.00 0.19 -0.43 2.90 5.08 -1.98 0.00 114.58 119.34 1xpu h GLU 392 Ca -0.44 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.78 1xpu h GLU 392 Cb 1.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xpu h GLU 392 CO 0.53 0.12 -0.25 0.82 -1.00 0.00 0.00 179.01 179.24 1xpu h ILE 393 N 0.19 1.27 0.75 3.13 2.04 -1.94 -3.22 117.51 119.73 1xpu h ILE 393 Ca 0.22 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1xpu h ILE 393 Cb 0.28 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xpu h ILE 393 CO -0.30 0.48 -0.36 0.44 0.00 0.00 0.00 178.15 178.41 1xpu h ASP 394 N 0.78 -0.85 -0.95 1.72 3.32 -1.82 -3.10 116.42 115.52 1xpu h ASP 394 Ca 0.10 0.01 0.28 0.00 0.02 0.00 0.00 57.03 57.44 1xpu h ASP 394 Cb 0.81 0.22 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 1xpu h ASP 394 CO 0.07 -0.53 0.19 0.00 -1.72 0.00 0.00 179.24 177.25 1xpu h ALA 395 N -0.98 1.37 0.08 3.45 0.00 -1.06 0.20 119.26 122.30 1xpu h ALA 395 Ca -0.10 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xpu h ALA 395 Cb 0.79 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpu h ALA 395 CO 0.17 -0.59 -0.04 1.98 0.00 0.00 0.00 179.25 180.77 1xpu h MET 396 N 0.08 -0.10 -0.45 0.00 1.85 -1.58 -0.54 114.93 114.20 1xpu h MET 396 Ca 0.62 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.72 1xpu h MET 396 Cb 1.35 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.38 1xpu h MET 396 CO -0.80 0.22 0.29 0.93 -0.40 0.00 0.00 176.91 177.15 1xpu h GLU 397 N -0.43 0.59 -0.55 0.39 5.08 -1.08 0.71 114.58 119.30 1xpu h GLU 397 Ca -0.01 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1xpu h GLU 397 Cb 0.37 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1xpu h GLU 397 CO 0.02 0.40 0.26 0.35 -1.00 0.00 0.00 179.01 179.04 1xpu h PHE 398 N 0.60 0.48 0.05 4.33 3.57 -0.67 -2.78 116.94 122.52 1xpu h PHE 398 Ca 0.16 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.48 1xpu h PHE 398 Cb -0.05 -0.13 0.02 0.00 2.79 0.00 0.00 35.95 38.57 1xpu h PHE 398 CO -0.04 0.21 -0.84 1.25 -2.23 0.00 0.00 178.31 176.66 1xpu h LEU 399 N 0.50 0.66 -0.56 0.59 5.85 -0.63 -3.19 115.31 118.53 1xpu h LEU 399 Ca 0.25 -0.80 0.08 0.00 0.84 0.00 0.00 57.88 58.25 1xpu h LEU 399 Cb 0.20 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1xpu h LEU 399 CO -0.19 1.38 0.21 0.40 -0.34 0.00 0.00 178.44 179.90 1xpu h ILE 400 N 0.01 0.81 -0.22 4.05 1.08 0.48 -2.94 117.51 120.77 1xpu h ILE 400 Ca -0.12 -0.13 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 1xpu h ILE 400 Cb 1.56 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1xpu h ILE 400 CO 0.16 0.07 -0.34 0.78 -0.69 0.00 0.00 178.15 178.14 1xpu h ASN 401 N 0.39 0.68 0.13 1.72 2.35 -1.62 -2.10 115.58 117.14 1xpu h ASN 401 Ca 0.27 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1xpu h ASN 401 Cb 0.31 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xpu h ASN 401 CO -0.27 1.07 0.00 0.29 -1.65 0.00 0.00 177.43 176.87 1xpu n LYS 402 N -4.28 0.18 -0.00 0.81 4.76 -1.14 -2.03 118.16 116.46 1xpu n LYS 402 Ca -0.05 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1xpu n LYS 402 Cb 0.50 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1xpu n LYS 402 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xpu n LEU 403 N -1.21 0.01 -0.69 -0.35 4.77 -1.12 -4.75 117.00 113.66 1xpu n LEU 403 Ca 0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1xpu n LEU 403 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1xpu n LEU 403 CO 0.07 0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.34 1xpu n ALA 404 N -1.04 2.01 -0.54 -1.18 0.00 -0.80 -3.82 120.51 115.13 1xpu n ALA 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xpu n ALA 404 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1xpu n ALA 404 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xpu n MET 405 N 0.37 0.00 0.00 0.00 2.81 -1.26 -5.09 117.12 113.95 1xpu n MET 405 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1xpu n MET 405 Cb 0.21 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 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 -1.59 0.00 -4.08 2.03 -2.24 -1.25 -5.09 114.28 102.06 1xpu n THR 406 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1xpu n THR 406 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1xpu n THR 406 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xpu s LYS 407 N 0.66 2.32 0.26 -0.78 -2.85 -1.26 -4.88 119.74 113.20 1xpu s LYS 407 Ca 0.00 -1.66 -0.01 0.00 -1.00 0.00 0.00 55.97 53.30 1xpu s LYS 407 Cb 0.00 -2.11 0.33 0.00 -2.06 0.00 0.00 37.83 33.99 1xpu s LYS 407 CO 0.00 0.01 1.73 1.79 0.10 0.00 0.00 175.35 178.99 1xpu h THR 408 N 1.48 1.25 0.00 3.79 1.35 -1.95 -2.90 112.91 115.93 1xpu h THR 408 Ca -0.43 -1.10 -0.03 0.00 -0.55 0.00 0.00 66.41 64.29 1xpu h THR 408 Cb 1.25 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1xpu h THR 408 CO 0.65 0.38 -0.16 -1.13 -0.25 0.00 0.00 175.52 175.00 1xpu h ASN 409 N 0.66 0.00 0.07 5.36 -0.00 -1.99 -2.85 115.58 116.83 1xpu h ASN 409 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.26 1xpu h ASN 409 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.85 1xpu h ASN 409 CO 0.03 0.16 -0.54 0.44 -0.00 0.00 0.00 177.43 177.52 1xpu h ASP 410 N 0.00 0.56 -0.72 1.15 3.32 -1.94 -0.03 116.42 118.76 1xpu h ASP 410 Ca -0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1xpu h ASP 410 Cb 0.78 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1xpu h ASP 410 CO 0.02 0.99 0.19 -0.78 -1.72 0.00 0.00 179.24 177.94 1xpu h ASP 411 N 0.39 1.08 -0.10 6.45 3.58 -1.54 -1.23 116.42 125.05 1xpu h ASP 411 Ca 0.01 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 1xpu h ASP 411 Cb 1.07 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1xpu h ASP 411 CO 0.10 1.02 0.05 0.15 -2.88 0.00 0.00 179.24 177.68 1xpu h PHE 412 N 1.09 0.15 -0.29 0.28 3.57 -1.30 -3.00 116.94 117.43 1xpu h PHE 412 Ca 0.23 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1xpu h PHE 412 Cb 0.35 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1xpu h PHE 412 CO 0.03 0.20 -0.06 0.74 -2.23 0.00 0.00 178.31 176.98 1xpu h PHE 413 N 0.05 0.63 -0.24 0.41 -1.00 -0.86 -2.87 116.94 113.05 1xpu h PHE 413 Ca 0.04 -0.13 -0.12 0.00 2.81 0.00 0.00 57.97 60.56 1xpu h PHE 413 Cb 0.10 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 1xpu h PHE 413 CO -0.04 0.75 -0.31 1.05 -1.61 0.00 0.00 178.31 178.15 1xpu h GLU 414 N 0.32 0.64 0.63 1.51 4.11 -1.32 -3.34 114.58 117.14 1xpu h GLU 414 Ca 0.07 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 1xpu h GLU 414 Cb 0.54 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xpu h GLU 414 CO 0.03 0.97 -0.30 1.98 0.07 0.00 0.00 179.01 181.76 1xpu h MET 415 N 0.35 -0.81 0.00 1.06 4.05 -1.62 -3.45 114.93 114.51 1xpu h MET 415 Ca 0.03 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1xpu h MET 415 Cb 0.89 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1xpu h MET 415 CO 0.07 -0.54 0.00 -1.33 0.23 0.00 0.00 176.91 175.34 1xpu n MET 416 N -5.30 0.34 0.00 0.39 2.81 -1.08 -5.13 117.12 109.16 1xpu n MET 416 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1xpu n MET 416 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 1xpu n MET 416 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11