#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8m s ALA 52 N 0.00 3.46 -0.43 0.62 0.00 -1.26 -5.00 121.76 119.16 1r8m s ALA 52 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 1r8m s ALA 52 Cb 0.00 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.78 1r8m s ALA 52 CO 0.00 -0.45 0.25 1.21 0.00 0.00 0.00 175.76 176.77 1r8m s ASN 53 N 0.55 5.41 0.49 0.00 3.84 -1.26 -4.97 114.94 119.00 1r8m s ASN 53 Ca 0.57 -1.98 0.17 0.00 0.21 0.00 0.00 52.86 51.82 1r8m s ASN 53 Cb -0.33 -1.89 1.20 0.00 -0.55 0.00 0.00 41.25 39.68 1r8m s ASN 53 CO 0.34 -0.59 2.08 -0.08 -2.79 0.00 0.00 177.10 176.06 1r8m h GLU 54 N 8.19 0.00 -0.27 0.43 4.57 -1.99 -0.54 114.58 124.97 1r8m h GLU 54 Ca -0.16 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1r8m h GLU 54 Cb 1.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1r8m h GLU 54 CO 0.75 0.09 -0.18 0.78 -1.18 0.00 0.00 179.01 179.27 1r8m h GLY 55 N 0.28 0.51 1.10 1.92 0.00 -1.99 -0.26 103.07 104.64 1r8m h GLY 55 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1r8m h GLY 55 CO 0.01 0.35 0.01 1.76 0.00 0.00 0.00 176.54 178.67 1r8m h SER 56 N 0.43 1.05 -0.63 0.19 0.02 -1.55 -2.03 113.55 111.04 1r8m h SER 56 Ca 0.07 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1r8m h SER 56 Cb 0.56 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1r8m h SER 56 CO 0.04 1.10 0.30 0.11 -1.14 0.00 0.00 176.83 177.23 1r8m h LYS 57 N 0.99 0.91 -0.38 3.45 1.57 -0.88 -1.39 116.57 120.84 1r8m h LYS 57 Ca 0.18 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1r8m h LYS 57 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1r8m h LYS 57 CO 0.03 0.73 0.16 1.15 -0.57 0.00 0.00 179.45 180.96 1r8m h THR 58 N 0.87 1.18 -0.42 -0.16 2.02 -0.91 -2.09 112.91 113.41 1r8m h THR 58 Ca 0.22 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1r8m h THR 58 Cb 0.12 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1r8m h THR 58 CO -0.03 0.20 0.22 -0.07 0.37 0.00 0.00 175.52 176.21 1r8m h LEU 59 N 0.47 0.53 -0.57 2.58 3.38 -1.16 0.77 115.31 121.31 1r8m h LEU 59 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1r8m h LEU 59 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1r8m h LEU 59 CO -0.01 0.48 0.29 -0.61 0.09 0.00 0.00 178.44 178.67 1r8m h GLN 60 N 0.54 0.82 -0.70 1.13 4.15 -1.26 -2.41 115.11 117.38 1r8m h GLN 60 Ca 0.15 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1r8m h GLN 60 Cb 0.07 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1r8m h GLN 60 CO -0.02 0.66 0.46 0.00 -1.93 0.00 0.00 178.83 177.99 1r8m h ARG 61 N 0.78 0.92 -0.87 1.69 3.08 -0.95 -1.58 114.38 117.44 1r8m h ARG 61 Ca 0.20 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1r8m h ARG 61 Cb 0.10 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1r8m h ARG 61 CO -0.03 0.62 0.58 -0.91 -1.07 0.00 0.00 179.97 179.16 1r8m h ASN 62 N 0.95 0.99 -0.58 7.04 2.35 -0.50 -0.09 115.58 125.73 1r8m h ASN 62 Ca 0.25 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1r8m h ASN 62 Cb -0.10 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1r8m h ASN 62 CO -0.05 0.71 0.07 -0.09 -1.65 0.00 0.00 177.43 176.42 1r8m h ARG 63 N 1.16 0.97 -0.66 0.81 9.65 -0.97 -1.91 114.38 123.44 1r8m h ARG 63 Ca 0.33 -0.27 -0.08 0.00 -1.10 0.00 0.00 59.98 58.85 1r8m h ARG 63 Cb -0.10 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 1r8m h ARG 63 CO -0.08 0.93 0.09 0.87 2.80 0.00 0.00 179.97 184.58 1r8m h LYS 64 N 0.86 1.10 -0.66 0.20 1.57 -0.72 -0.29 116.57 118.64 1r8m h LYS 64 Ca 0.17 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1r8m h LYS 64 Cb 0.44 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1r8m h LYS 64 CO 0.01 1.02 0.20 1.98 -0.57 0.00 0.00 179.45 182.09 1r8m h MET 65 N 1.03 1.02 -0.64 3.15 4.05 -0.81 0.13 114.93 122.86 1r8m h MET 65 Ca 0.20 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1r8m h MET 65 Cb 0.46 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1r8m h MET 65 CO 0.02 0.90 0.09 0.00 0.23 0.00 0.00 176.91 178.15 1r8m h ALA 66 N 1.08 0.95 -0.39 0.39 0.00 -0.98 -0.82 119.26 119.49 1r8m h ALA 66 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1r8m h ALA 66 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r8m h ALA 66 CO -0.01 0.65 0.04 0.52 0.00 0.00 0.00 179.25 180.45 1r8m h MET 67 N 0.99 0.67 -0.89 0.00 2.07 -0.04 -2.71 114.93 115.02 1r8m h MET 67 Ca 0.20 -0.19 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1r8m h MET 67 Cb 0.44 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 30.05 1r8m h MET 67 CO 0.01 0.74 0.58 0.78 1.07 0.00 0.00 176.91 180.09 1r8m h GLY 68 N 0.50 1.29 0.96 8.32 0.00 -0.32 -1.03 103.07 112.79 1r8m h GLY 68 Ca 0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1r8m h GLY 68 CO 0.01 0.38 0.20 3.21 0.00 0.00 0.00 176.54 180.35 1r8m h ARG 69 N 1.12 0.63 -0.81 4.80 3.08 -1.09 0.76 114.38 122.87 1r8m h ARG 69 Ca 0.35 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1r8m h ARG 69 Cb -0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1r8m h ARG 69 CO -0.12 0.55 0.35 -0.22 -1.07 0.00 0.00 179.97 179.46 1r8m h LYS 70 N 0.56 1.19 -0.48 0.04 3.64 -1.26 -1.58 116.57 118.68 1r8m h LYS 70 Ca 0.15 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1r8m h LYS 70 Cb 0.13 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1r8m h LYS 70 CO -0.02 0.95 -0.18 0.87 -2.27 0.00 0.00 179.45 178.80 1r8m h LYS 71 N 1.17 0.95 -0.52 1.90 1.57 -0.95 -3.00 116.57 117.69 1r8m h LYS 71 Ca 0.27 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1r8m h LYS 71 Cb 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1r8m h LYS 71 CO -0.03 1.04 0.32 0.35 -0.57 0.00 0.00 179.45 180.56 1r8m h PHE 72 N 0.83 0.60 0.00 -1.35 3.57 -0.52 -0.10 116.94 119.97 1r8m h PHE 72 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1r8m h PHE 72 Cb 0.73 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1r8m h PHE 72 CO 0.05 0.35 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.31 1r8m h ASN 73 N 0.64 0.00 0.31 0.41 2.35 -1.18 -1.90 115.58 116.21 1r8m h ASN 73 Ca 0.20 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.62 1r8m h ASN 73 Cb -0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.39 1r8m h ASN 73 CO -0.08 0.25 -1.50 0.24 -1.65 0.00 0.00 177.43 174.69 1r8m h MET 74 N 0.00 0.47 -1.24 0.81 2.86 -1.38 -3.45 114.93 112.99 1r8m h MET 74 Ca -0.00 -0.80 -0.16 0.00 -2.06 0.00 0.00 59.70 56.67 1r8m h MET 74 Cb 0.47 0.30 -0.21 0.00 0.06 0.00 0.00 31.60 32.21 1r8m h MET 74 CO 0.03 1.38 -0.53 0.34 1.06 0.00 0.00 176.91 179.19 1r8m s ASP 75 N -7.45 -0.87 0.27 1.22 -1.08 -0.07 -5.05 116.67 103.64 1r8m s ASP 75 Ca -0.09 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 1r8m s ASP 75 Cb 0.05 1.58 0.59 0.00 -1.46 0.00 0.00 42.92 43.68 1r8m s ASP 75 CO 0.92 -0.16 1.72 -0.65 0.52 0.00 0.00 175.17 177.52 1r8m h PRO 76 N 6.47 0.46 -0.48 4.34 0.11 -1.55 -0.02 132.00 141.32 1r8m h PRO 76 Ca 0.06 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 1r8m h PRO 76 Cb 1.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1r8m h PRO 76 CO 0.11 0.30 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.81 1r8m h LYS 77 N 0.47 0.97 -0.83 1.05 1.63 -1.92 -1.17 116.57 116.77 1r8m h LYS 77 Ca 0.49 -0.40 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1r8m h LYS 77 Cb 0.82 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.36 1r8m h LYS 77 CO -0.45 1.07 0.54 0.87 -3.45 0.00 0.00 179.45 178.03 1r8m h LYS 78 N 0.82 1.04 0.01 1.90 1.57 -1.40 0.26 116.57 120.77 1r8m h LYS 78 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1r8m h LYS 78 Cb 0.75 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1r8m h LYS 78 CO 0.06 0.69 -0.00 0.78 -0.57 0.00 0.00 179.45 180.40 1r8m h GLY 79 N 1.07 -0.01 1.03 3.86 0.00 -0.78 -0.87 103.07 107.37 1r8m h GLY 79 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1r8m h GLY 79 CO -0.10 -0.00 0.34 -2.22 0.00 0.00 0.00 176.54 174.55 1r8m h ILE 80 N -0.16 1.25 -0.81 2.60 1.08 -0.96 -2.13 117.51 118.38 1r8m h ILE 80 Ca -0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1r8m h ILE 80 Cb 0.15 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 1r8m h ILE 80 CO 0.00 0.30 0.52 -0.61 -0.69 0.00 0.00 178.15 177.68 1r8m h GLN 81 N 1.07 1.08 0.06 2.37 4.15 -0.67 -1.14 115.11 122.03 1r8m h GLN 81 Ca 0.26 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1r8m h GLN 81 Cb 0.16 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1r8m h GLN 81 CO -0.03 0.73 -0.03 0.35 -1.93 0.00 0.00 178.83 177.92 1r8m h PHE 82 N 1.11 -0.08 -0.63 3.99 3.57 -0.93 0.91 116.94 124.88 1r8m h PHE 82 Ca 0.30 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.88 1r8m h PHE 82 Cb -0.10 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 1r8m h PHE 82 CO 0.00 0.30 0.27 -0.07 -2.23 0.00 0.00 178.31 176.58 1r8m h LEU 83 N -0.47 0.32 0.00 0.59 3.38 -1.20 -1.75 115.31 116.17 1r8m h LEU 83 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r8m h LEU 83 Cb 0.41 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1r8m h LEU 83 CO 0.01 0.19 -0.00 0.58 0.09 0.00 0.00 178.44 179.31 1r8m h VAL 84 N 0.48 1.11 -0.28 1.22 2.07 -1.06 -0.21 116.25 119.59 1r8m h VAL 84 Ca 0.31 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1r8m h VAL 84 Cb 0.35 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1r8m h VAL 84 CO -0.28 0.09 0.19 -0.33 0.02 0.00 0.00 177.57 177.26 1r8m h GLU 85 N -0.15 0.20 -0.61 1.57 5.08 -0.59 -1.97 114.58 118.11 1r8m h GLU 85 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r8m h GLU 85 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1r8m h GLU 85 CO 0.00 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.23 1r8m n ASN 86 N -4.49 3.51 -3.47 1.42 3.02 -0.68 -4.94 115.26 109.63 1r8m n ASN 86 Ca 0.03 -2.14 -0.25 0.00 -0.03 0.00 0.00 54.58 52.19 1r8m n ASN 86 Cb 0.21 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 38.98 1r8m n ASN 86 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r8m n GLU 87 N 1.13 -6.09 -0.01 3.52 1.02 -0.74 -4.85 120.64 114.61 1r8m n GLU 87 Ca 0.21 0.77 0.11 0.00 -0.02 0.00 0.00 57.16 58.22 1r8m n GLU 87 Cb 0.60 -5.70 -0.17 0.00 -0.02 0.00 0.00 31.44 26.15 1r8m n GLU 87 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r8m n LEU 88 N -4.53 0.02 -3.75 -4.62 4.77 -0.12 -4.92 117.00 103.85 1r8m n LEU 88 Ca -0.02 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1r8m n LEU 88 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1r8m n LEU 88 CO 0.61 0.00 -0.11 -0.22 -1.33 0.00 0.00 177.39 176.34 1r8m s LEU 89 N -4.47 0.61 0.30 2.23 2.96 -0.99 -4.97 118.68 114.36 1r8m s LEU 89 Ca -0.08 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 1r8m s LEU 89 Cb 0.14 0.77 -0.10 0.00 0.50 0.00 0.00 46.19 47.50 1r8m s LEU 89 CO 0.90 -0.14 1.25 -1.10 -1.32 0.00 0.00 176.35 175.94 1r8m s GLN 90 N 0.92 4.44 -1.52 1.98 -0.21 -1.26 -4.03 119.66 119.97 1r8m s GLN 90 Ca -0.06 2.08 -0.08 0.00 0.02 0.00 0.00 55.36 57.31 1r8m s GLN 90 Cb -0.08 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.79 1r8m s GLN 90 CO -0.06 -0.09 2.76 -1.71 -2.12 0.00 0.00 175.29 174.07 1r8m n ASN 91 N 1.19 8.50 -4.34 5.90 5.15 -1.26 -4.24 115.26 126.16 1r8m n ASN 91 Ca 0.01 -2.77 -0.28 0.00 -0.60 0.00 0.00 54.58 50.93 1r8m n ASN 91 Cb 0.43 -1.49 -0.14 0.00 -0.53 0.00 0.00 39.78 38.05 1r8m n ASN 91 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r8m s THR 92 N 1.03 2.08 0.22 -0.44 -4.23 -1.26 -5.05 115.64 107.99 1r8m s THR 92 Ca 0.64 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1r8m s THR 92 Cb 0.18 -1.82 0.21 0.00 1.34 0.00 0.00 72.50 72.41 1r8m s THR 92 CO -0.07 0.18 1.68 -0.65 -0.54 0.00 0.00 174.62 175.21 1r8m h PRO 93 N 4.33 0.18 -0.24 3.99 0.11 -1.90 -0.74 132.00 137.73 1r8m h PRO 93 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1r8m h PRO 93 Cb 1.16 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1r8m h PRO 93 CO 0.41 0.12 0.07 1.49 -0.21 0.00 0.00 178.00 179.88 1r8m h GLU 94 N 0.19 0.38 -0.48 1.05 4.57 -1.93 0.49 114.58 118.84 1r8m h GLU 94 Ca 0.35 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.32 1r8m h GLU 94 Cb 0.58 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1r8m h GLU 94 CO -0.51 0.47 -0.18 0.93 -1.18 0.00 0.00 179.01 178.54 1r8m h GLU 95 N 0.21 0.98 -0.36 1.92 4.39 -1.74 -0.22 114.58 119.76 1r8m h GLU 95 Ca 0.08 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 1r8m h GLU 95 Cb 0.26 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1r8m h GLU 95 CO -0.00 1.08 -0.01 0.82 -1.16 0.00 0.00 179.01 179.74 1r8m h ILE 96 N 0.83 1.26 -0.84 3.13 2.04 -1.11 -2.25 117.51 120.58 1r8m h ILE 96 Ca 0.11 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1r8m h ILE 96 Cb 0.76 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1r8m h ILE 96 CO 0.06 0.33 0.54 0.00 0.00 0.00 0.00 178.15 179.08 1r8m h ALA 97 N 0.86 1.09 -0.63 1.87 0.00 -0.72 -1.27 119.26 120.46 1r8m h ALA 97 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r8m h ALA 97 Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1r8m h ALA 97 CO 0.02 0.39 0.40 0.00 0.00 0.00 0.00 179.25 180.06 1r8m h ARG 98 N 1.06 0.78 -0.57 0.00 3.08 -0.87 -0.23 114.38 117.63 1r8m h ARG 98 Ca 0.33 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.39 1r8m h ARG 98 Cb -0.02 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.81 1r8m h ARG 98 CO -0.11 0.51 0.29 0.35 -1.07 0.00 0.00 179.97 179.95 1r8m h PHE 99 N 0.80 0.53 0.00 3.04 3.57 -1.08 -1.09 116.94 122.70 1r8m h PHE 99 Ca 0.25 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.62 1r8m h PHE 99 Cb -0.02 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1r8m h PHE 99 CO -0.04 0.24 -0.71 -0.07 -2.23 0.00 0.00 178.31 175.50 1r8m h LEU 100 N 0.54 0.00 -0.20 0.59 3.38 -0.88 -1.74 115.31 117.02 1r8m h LEU 100 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1r8m h LEU 100 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r8m h LEU 100 CO -0.18 0.71 -0.41 0.22 0.09 0.00 0.00 178.44 178.87 1r8m h TYR 101 N 0.00 0.79 -0.08 1.13 3.20 -0.94 -2.96 116.97 118.12 1r8m h TYR 101 Ca -0.01 -0.29 0.02 0.00 3.14 0.00 0.00 58.73 61.59 1r8m h TYR 101 Cb 1.31 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1r8m h TYR 101 CO 0.00 1.05 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.33 1r8m h LYS 102 N 0.30 -0.01 -1.03 1.82 3.64 -1.20 -3.47 116.57 116.62 1r8m h LYS 102 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1r8m h LYS 102 Cb 1.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1r8m h LYS 102 CO 0.09 -0.00 -0.23 0.41 -2.27 0.00 0.00 179.45 177.44 1r8m n GLY 103 N -1.14 0.52 3.66 5.01 0.00 -0.66 -4.93 105.19 107.65 1r8m n GLY 103 Ca -0.05 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1r8m n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r8m s GLU 104 N -3.77 4.14 -1.88 1.61 2.12 -1.26 -2.32 118.70 117.34 1r8m s GLU 104 Ca 0.00 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.24 1r8m s GLU 104 Cb 0.00 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.48 1r8m s GLU 104 CO 0.00 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 1r8m n GLY 105 N 4.03 0.67 3.73 -1.50 0.00 -1.26 -4.99 105.19 105.86 1r8m n GLY 105 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1r8m n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r8m s LEU 106 N -5.30 3.90 -0.12 0.99 1.43 -0.98 -4.80 118.68 113.80 1r8m s LEU 106 Ca 0.00 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1r8m s LEU 106 Cb 0.00 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1r8m s LEU 106 CO 0.00 0.32 1.24 0.21 0.23 0.00 0.00 176.35 178.35 1r8m s ASN 107 N -0.53 6.98 0.50 2.29 3.84 -1.26 -4.93 114.94 121.83 1r8m s ASN 107 Ca 0.10 1.75 0.24 0.00 0.21 0.00 0.00 52.86 55.17 1r8m s ASN 107 Cb -0.12 -2.55 1.33 0.00 -0.55 0.00 0.00 41.25 39.36 1r8m s ASN 107 CO 0.02 -0.69 2.04 0.11 -2.79 0.00 0.00 177.10 175.79 1r8m h LYS 108 N 7.90 0.00 -0.59 0.43 1.57 -1.96 -1.21 116.57 122.71 1r8m h LYS 108 Ca -0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 1r8m h LYS 108 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1r8m h LYS 108 CO 0.93 0.15 0.03 1.15 -0.57 0.00 0.00 179.45 181.14 1r8m h THR 109 N 0.00 1.26 -0.46 -0.16 2.02 -1.92 -1.70 112.91 111.96 1r8m h THR 109 Ca -0.00 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.12 1r8m h THR 109 Cb 0.36 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1r8m h THR 109 CO 0.02 0.40 0.25 0.00 0.37 0.00 0.00 175.52 176.55 1r8m h ALA 110 N 0.99 0.58 0.16 6.16 0.00 -1.73 -1.02 119.26 124.40 1r8m h ALA 110 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r8m h ALA 110 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1r8m h ALA 110 CO 0.02 -0.09 -0.20 0.82 0.00 0.00 0.00 179.25 179.80 1r8m h ILE 111 N 0.49 0.55 -0.99 0.00 2.04 -1.10 -1.08 117.51 117.42 1r8m h ILE 111 Ca 0.19 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.22 1r8m h ILE 111 Cb 0.07 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 36.59 1r8m h ILE 111 CO -0.12 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.87 1r8m h GLY 112 N -0.42 1.72 1.02 5.37 0.00 -1.20 -1.34 103.07 108.23 1r8m h GLY 112 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1r8m h GLY 112 CO -0.08 0.01 -0.23 -0.55 0.00 0.00 0.00 176.54 175.69 1r8m h ASP 113 N 0.82 0.85 -0.40 0.19 3.32 -0.77 -1.50 116.42 118.94 1r8m h ASP 113 Ca 0.55 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1r8m h ASP 113 Cb 0.75 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1r8m h ASP 113 CO -0.35 1.09 0.20 0.22 -1.72 0.00 0.00 179.24 178.68 1r8m h TYR 114 N 0.62 0.36 0.00 4.55 3.20 -0.73 -2.43 116.97 122.54 1r8m h TYR 114 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1r8m h TYR 114 Cb 0.79 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 1r8m h TYR 114 CO 0.06 0.19 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.59 1r8m h LEU 115 N 0.40 0.00 -1.76 2.82 3.38 -1.12 -2.94 115.31 116.09 1r8m h LEU 115 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r8m h LEU 115 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r8m h LEU 115 CO -0.12 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1r8m n GLY 116 N -0.22 0.94 3.71 0.83 0.00 -0.58 -4.76 105.19 105.12 1r8m n GLY 116 Ca -0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1r8m n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r8m s GLU 117 N -1.81 4.20 -1.26 1.61 0.41 -1.02 -4.80 118.70 116.03 1r8m s GLU 117 Ca 0.34 2.38 -0.12 0.00 -0.41 0.00 0.00 54.97 57.16 1r8m s GLU 117 Cb 0.21 -3.24 0.16 0.00 -1.78 0.00 0.00 34.13 29.47 1r8m s GLU 117 CO 0.31 -0.65 1.72 -2.13 -0.49 0.00 0.00 175.26 174.02 1r8m n ARG 118 N 4.32 3.47 -4.02 1.61 0.63 -1.26 -4.22 116.66 117.19 1r8m n ARG 118 Ca 0.14 -3.60 -0.14 0.00 -0.92 0.00 0.00 57.85 53.33 1r8m n ARG 118 Cb 0.39 -3.01 -0.14 0.00 0.45 0.00 0.00 32.46 30.14 1r8m n ARG 118 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1r8m s GLU 119 N 1.12 0.24 0.20 -0.14 2.56 -1.26 -5.05 118.70 116.37 1r8m s GLU 119 Ca 0.42 -0.09 -0.22 0.00 0.00 0.00 0.00 54.97 55.08 1r8m s GLU 119 Cb 0.05 -0.25 0.12 0.00 2.00 0.00 0.00 34.13 36.05 1r8m s GLU 119 CO 0.00 0.05 1.56 1.49 -0.56 0.00 0.00 175.26 177.80 1r8m h GLU 120 N 6.17 -0.07 -0.50 4.30 4.81 -2.00 0.60 114.58 127.89 1r8m h GLU 120 Ca -0.27 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1r8m h GLU 120 Cb 1.19 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1r8m h GLU 120 CO 0.50 -0.05 0.33 1.25 -0.73 0.00 0.00 179.01 180.31 1r8m h LEU 121 N -0.07 0.57 -0.76 1.64 5.85 -1.98 -2.29 115.31 118.26 1r8m h LEU 121 Ca 0.26 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1r8m h LEU 121 Cb 0.55 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1r8m h LEU 121 CO -0.88 0.41 -0.20 0.78 -0.34 0.00 0.00 178.44 178.21 1r8m h ASN 122 N 0.67 0.73 -0.68 1.25 4.21 -1.61 -0.14 115.58 120.01 1r8m h ASN 122 Ca 0.18 -0.25 0.01 0.00 1.21 0.00 0.00 56.30 57.45 1r8m h ASN 122 Cb -0.07 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 36.89 1r8m h ASN 122 CO -0.04 0.92 0.45 -0.07 -1.29 0.00 0.00 177.43 177.40 1r8m h LEU 123 N 0.64 0.79 -1.00 1.61 3.38 -0.75 0.16 115.31 120.14 1r8m h LEU 123 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1r8m h LEU 123 Cb 0.69 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1r8m h LEU 123 CO 0.05 0.57 0.45 0.00 0.09 0.00 0.00 178.44 179.61 1r8m h ALA 124 N 1.25 1.23 -0.18 1.53 0.00 -0.77 -1.80 119.26 120.51 1r8m h ALA 124 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1r8m h ALA 124 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1r8m h ALA 124 CO -0.05 0.62 0.01 0.28 0.00 0.00 0.00 179.25 180.11 1r8m h VAL 125 N 1.16 1.24 -0.69 0.00 2.07 -0.84 -1.89 116.25 117.31 1r8m h VAL 125 Ca 0.29 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1r8m h VAL 125 Cb 0.03 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1r8m h VAL 125 CO -0.05 0.24 0.43 0.25 0.02 0.00 0.00 177.57 178.46 1r8m h LEU 126 N 0.08 0.70 -0.24 2.57 5.85 -0.75 0.49 115.31 124.02 1r8m h LEU 126 Ca 0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1r8m h LEU 126 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1r8m h LEU 126 CO 0.01 0.49 0.15 -0.74 -0.34 0.00 0.00 178.44 178.00 1r8m h HIS 127 N 0.84 0.28 -0.69 1.25 2.76 -1.21 -1.44 115.15 116.95 1r8m h HIS 127 Ca 0.28 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.41 1r8m h HIS 127 Cb 0.03 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1r8m h HIS 127 CO -0.04 0.17 0.24 0.00 -1.30 0.00 0.00 177.93 177.00 1r8m h ALA 128 N 1.09 1.13 -0.26 5.26 0.00 -0.95 -1.76 119.26 123.77 1r8m h ALA 128 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1r8m h ALA 128 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1r8m h ALA 128 CO -0.03 0.61 0.06 0.35 0.00 0.00 0.00 179.25 180.24 1r8m h PHE 129 N 1.00 0.44 -0.58 0.00 3.57 -0.57 -2.10 116.94 118.72 1r8m h PHE 129 Ca 0.23 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1r8m h PHE 129 Cb 0.24 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1r8m h PHE 129 CO 0.02 0.50 0.19 0.28 -2.23 0.00 0.00 178.31 177.08 1r8m h VAL 130 N 0.25 1.22 0.00 1.41 2.07 -1.15 -2.37 116.25 117.69 1r8m h VAL 130 Ca 0.08 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1r8m h VAL 130 Cb 0.28 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1r8m h VAL 130 CO 0.00 0.28 0.00 0.44 0.02 0.00 0.00 177.57 178.31 1r8m h ASP 131 N 0.84 0.00 1.58 0.57 3.32 -0.76 -2.04 116.42 119.93 1r8m h ASP 131 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1r8m h ASP 131 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1r8m h ASP 131 CO -0.01 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.44 1r8m h LEU 132 N 0.00 0.00-10.14 1.55 3.38 -0.84 -3.45 115.31 105.81 1r8m h LEU 132 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1r8m h LEU 132 Cb 0.30 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.17 1r8m h LEU 132 CO 0.00 0.00 0.42 -1.00 0.09 0.00 0.00 178.44 177.95 1r8m s HIS 133 N -3.16 2.36 -0.30 1.13 3.76 -0.77 -5.03 115.29 113.28 1r8m s HIS 133 Ca 0.09 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.57 1r8m s HIS 133 Cb 0.10 -3.40 0.08 0.00 1.11 0.00 0.00 32.58 30.47 1r8m s HIS 133 CO 0.61 -2.17 -0.02 -1.21 -0.85 0.00 0.00 174.74 171.10 1r8m s GLU 134 N -3.67 1.99 0.00 1.40 0.41 -1.26 -4.94 118.70 112.63 1r8m s GLU 134 Ca 0.74 -1.56 0.17 0.00 -0.41 0.00 0.00 54.97 53.91 1r8m s GLU 134 Cb -0.27 -3.09 0.10 0.00 -1.78 0.00 0.00 34.13 29.08 1r8m s GLU 134 CO 0.38 -0.74 0.99 1.19 -0.49 0.00 0.00 175.26 176.58 1r8m n PHE 135 N 4.41 0.00 -1.81 1.61 3.72 -1.26 -4.97 117.46 119.16 1r8m n PHE 135 Ca -0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.92 1r8m n PHE 135 Cb 0.42 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1r8m n PHE 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1r8m s THR 136 N -1.54 2.09 0.00 4.37 2.01 -1.26 -2.14 115.64 119.17 1r8m s THR 136 Ca 0.18 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1r8m s THR 136 Cb 0.14 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1r8m s THR 136 CO 0.26 0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.68 1r8m n ASP 137 N 0.87 -0.10 -4.86 3.53 8.00 -1.26 -5.02 116.55 117.71 1r8m n ASP 137 Ca 0.03 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 1r8m n ASP 137 Cb 0.39 -1.12 -0.06 0.00 -0.02 0.00 0.00 41.12 40.31 1r8m n ASP 137 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r8m s LEU 138 N 0.00 4.19 0.76 0.64 1.43 -0.91 -5.09 118.68 119.70 1r8m s LEU 138 Ca 0.00 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1r8m s LEU 138 Cb 0.00 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.61 1r8m s LEU 138 CO 0.00 -0.06 1.13 0.54 0.23 0.00 0.00 176.35 178.19 1r8m s ASN 139 N -2.20 4.86 0.21 2.29 2.20 -1.26 -4.82 114.94 116.22 1r8m s ASN 139 Ca 0.46 0.86 -0.09 0.00 -0.94 0.00 0.00 52.86 53.15 1r8m s ASN 139 Cb -0.12 -1.48 0.15 0.00 -2.00 0.00 0.00 41.25 37.80 1r8m s ASN 139 CO 0.20 -1.68 1.81 0.25 -2.94 0.00 0.00 177.10 174.75 1r8m h LEU 140 N -0.87 0.97 -0.48 3.54 5.85 -1.98 -1.18 115.31 121.16 1r8m h LEU 140 Ca -0.46 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.00 1r8m h LEU 140 Cb 1.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1r8m h LEU 140 CO 0.65 0.81 -0.35 0.58 -0.34 0.00 0.00 178.44 179.79 1r8m h VAL 141 N 1.06 1.28 -0.56 1.05 2.07 -1.95 -1.37 116.25 117.82 1r8m h VAL 141 Ca 0.27 -1.52 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1r8m h VAL 141 Cb 0.07 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1r8m h VAL 141 CO -0.04 0.51 0.28 1.56 0.02 0.00 0.00 177.57 179.90 1r8m h GLN 142 N 0.72 0.51 -0.11 1.57 4.20 -1.78 0.40 115.11 120.62 1r8m h GLN 142 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1r8m h GLN 142 Cb 0.92 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1r8m h GLN 142 CO 0.08 0.34 0.02 0.00 -0.67 0.00 0.00 178.83 178.61 1r8m h ALA 143 N 1.32 0.15 -0.99 3.87 0.00 -1.12 -2.50 119.26 119.99 1r8m h ALA 143 Ca 0.26 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1r8m h ALA 143 Cb 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1r8m h ALA 143 CO -0.19 -0.21 0.63 -0.07 0.00 0.00 0.00 179.25 179.42 1r8m h LEU 144 N -0.04 0.97 -0.68 0.00 3.38 -0.83 -0.82 115.31 117.29 1r8m h LEU 144 Ca 0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1r8m h LEU 144 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1r8m h LEU 144 CO 0.00 0.58 0.45 0.03 0.09 0.00 0.00 178.44 179.60 1r8m h ARG 145 N 1.08 0.89 -0.26 1.13 3.08 -0.69 0.93 114.38 120.54 1r8m h ARG 145 Ca 0.45 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1r8m h ARG 145 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1r8m h ARG 145 CO -0.20 0.59 0.17 0.37 -1.07 0.00 0.00 179.97 179.83 1r8m h GLN 146 N 0.92 0.35 -0.38 0.04 4.15 -0.97 -2.28 115.11 116.95 1r8m h GLN 146 Ca 0.25 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 1r8m h GLN 146 Cb -0.10 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1r8m h GLN 146 CO -0.06 0.24 0.06 0.35 -1.93 0.00 0.00 178.83 177.49 1r8m h PHE 147 N 0.35 0.67 -0.01 3.99 3.57 -0.72 -2.92 116.94 121.87 1r8m h PHE 147 Ca 0.10 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1r8m h PHE 147 Cb -0.03 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1r8m h PHE 147 CO -0.06 0.67 -0.08 1.28 -2.23 0.00 0.00 178.31 177.89 1r8m n LEU 148 N -4.54 0.66 0.15 0.59 4.77 0.28 -1.99 117.00 116.92 1r8m n LEU 148 Ca -0.01 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 1r8m n LEU 148 Cb 0.23 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1r8m n LEU 148 CO 0.39 0.12 0.46 -0.25 -1.33 0.00 0.00 177.39 176.78 1r8m h TRP 149 N 0.90 0.00 0.00 -1.77 -0.00 -1.21 -3.38 115.95 110.49 1r8m h TRP 149 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1r8m h TRP 149 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 1r8m h TRP 149 CO 0.00 0.35 0.00 -1.13 -0.00 0.00 0.00 178.44 177.66 1r8m n SER 150 N -3.13 0.58 -3.53 2.65 3.41 -0.84 -4.76 113.62 107.99 1r8m n SER 150 Ca 0.01 0.58 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1r8m n SER 150 Cb 0.68 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1r8m n SER 150 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1r8m s PHE 151 N -3.12 -0.34 -0.23 7.33 -0.12 -1.26 -4.93 117.98 115.31 1r8m s PHE 151 Ca 0.10 0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 56.97 1r8m s PHE 151 Cb 0.13 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 43.04 1r8m s PHE 151 CO 0.52 -0.64 0.47 0.50 -0.05 0.00 0.00 175.22 176.02 1r8m s ARG 152 N -3.25 4.12 0.22 1.99 3.52 -0.72 -4.78 118.95 120.05 1r8m s ARG 152 Ca 0.06 0.29 -0.32 0.00 -0.13 0.00 0.00 55.73 55.62 1r8m s ARG 152 Cb -0.01 -3.60 -0.14 0.00 -1.56 0.00 0.00 34.95 29.64 1r8m s ARG 152 CO -0.08 -0.21 1.36 1.28 -0.81 0.00 0.00 175.30 176.85 1r8m n LEU 153 N 5.03 2.74 -4.60 -0.88 4.77 -1.26 -4.15 117.00 118.65 1r8m n LEU 153 Ca -0.06 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 1r8m n LEU 153 Cb 0.50 -1.38 0.20 0.00 -2.33 0.00 0.00 43.42 40.42 1r8m n LEU 153 CO 0.40 -0.66 0.61 -2.65 -1.33 0.00 0.00 177.39 173.77 1r8m n PRO 154 N 2.07 -1.20 0.18 3.23 -0.02 -1.26 -4.96 135.00 133.04 1r8m n PRO 154 Ca 0.13 -0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.39 1r8m n PRO 154 Cb 0.30 -2.30 0.14 0.00 -0.02 0.00 0.00 33.50 31.61 1r8m n PRO 154 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1r8m h GLY 155 N -2.20 0.00 -4.53 -1.23 0.00 -1.99 -3.44 103.07 89.67 1r8m h GLY 155 Ca -0.50 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.29 1r8m h GLY 155 CO 0.44 0.00 0.48 -0.54 0.00 0.00 0.00 176.54 176.92 1r8m s GLU 156 N -3.14 4.49 0.28 4.80 8.01 -1.26 -4.94 118.70 126.94 1r8m s GLU 156 Ca 0.05 1.49 0.00 0.00 0.01 0.00 0.00 54.97 56.52 1r8m s GLU 156 Cb 0.07 -3.47 0.51 0.00 -4.31 0.00 0.00 34.13 26.93 1r8m s GLU 156 CO 0.70 -0.18 1.86 0.00 0.01 0.00 0.00 175.26 177.65 1r8m h ALA 157 N 6.94 1.49 -0.24 5.21 0.00 -1.99 -2.11 119.26 128.56 1r8m h ALA 157 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1r8m h ALA 157 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1r8m h ALA 157 CO 0.80 0.30 -0.32 1.96 0.00 0.00 0.00 179.25 181.99 1r8m h GLN 158 N 1.05 0.49 -0.03 0.00 1.08 -1.99 -0.89 115.11 114.81 1r8m h GLN 158 Ca 0.46 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1r8m h GLN 158 Cb 0.36 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1r8m h GLN 158 CO -0.22 0.76 0.01 0.87 -0.95 0.00 0.00 178.83 179.30 1r8m h LYS 159 N 0.42 0.05 -0.84 1.46 1.57 -1.71 -2.51 116.57 115.02 1r8m h LYS 159 Ca 0.05 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1r8m h LYS 159 Cb 0.77 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 1r8m h LYS 159 CO 0.06 0.22 0.50 0.82 -0.57 0.00 0.00 179.45 180.48 1r8m h ILE 160 N -0.12 0.97 -0.48 1.86 2.04 -1.27 -2.19 117.51 118.31 1r8m h ILE 160 Ca 0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1r8m h ILE 160 Cb 0.19 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1r8m h ILE 160 CO -0.00 0.16 0.29 -0.78 0.00 0.00 0.00 178.15 177.82 1r8m h ASP 161 N 0.87 0.58 -0.70 1.72 3.58 -1.00 0.43 116.42 121.89 1r8m h ASP 161 Ca 0.39 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1r8m h ASP 161 Cb 0.28 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1r8m h ASP 161 CO -0.21 0.46 0.39 0.03 -2.88 0.00 0.00 179.24 177.03 1r8m h ARG 162 N 0.64 0.98 -0.38 0.28 3.08 -1.08 0.10 114.38 118.00 1r8m h ARG 162 Ca 0.17 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1r8m h ARG 162 Cb -0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1r8m h ARG 162 CO -0.03 0.71 -0.36 0.52 -1.07 0.00 0.00 179.97 179.74 1r8m h MET 163 N 0.99 0.92 -0.25 0.04 2.86 -0.86 -2.04 114.93 116.58 1r8m h MET 163 Ca 0.25 -0.48 -0.12 0.00 -2.06 0.00 0.00 59.70 57.30 1r8m h MET 163 Cb 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r8m h MET 163 CO -0.04 1.13 -0.31 0.52 1.06 0.00 0.00 176.91 179.26 1r8m h MET 164 N 0.73 0.66 -0.22 1.72 2.86 -0.45 0.27 114.93 120.51 1r8m h MET 164 Ca 0.06 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1r8m h MET 164 Cb 0.95 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 1r8m h MET 164 CO 0.09 0.98 -0.07 1.49 1.06 0.00 0.00 176.91 180.47 1r8m h GLU 165 N 0.38 -0.02 -0.24 1.72 4.57 -0.85 0.36 114.58 120.51 1r8m h GLU 165 Ca 0.03 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1r8m h GLU 165 Cb 0.89 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 1r8m h GLU 165 CO 0.07 -0.01 0.11 0.00 -1.18 0.00 0.00 179.01 178.00 1r8m h ALA 166 N 1.20 0.28 -0.03 2.92 0.00 -1.23 -1.12 119.26 121.28 1r8m h ALA 166 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1r8m h ALA 166 Cb 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1r8m h ALA 166 CO -0.24 -0.29 -0.28 0.35 0.00 0.00 0.00 179.25 178.79 1r8m h PHE 167 N 0.24 -0.76 -0.98 0.00 3.57 -0.80 -1.94 116.94 116.27 1r8m h PHE 167 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1r8m h PHE 167 Cb 0.03 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1r8m h PHE 167 CO -0.10 -0.37 0.64 0.00 -2.23 0.00 0.00 178.31 176.25 1r8m h ALA 168 N 0.41 1.24 -0.35 2.41 0.00 -0.60 0.21 119.26 122.58 1r8m h ALA 168 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1r8m h ALA 168 Cb 0.51 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r8m h ALA 168 CO -0.26 0.65 -0.14 1.96 0.00 0.00 0.00 179.25 181.46 1r8m h GLN 169 N 1.33 0.70 -0.37 0.00 1.08 -1.05 -2.03 115.11 114.78 1r8m h GLN 169 Ca 0.36 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1r8m h GLN 169 Cb -0.13 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1r8m h GLN 169 CO -0.07 0.89 0.07 -0.09 -0.95 0.00 0.00 178.83 178.67 1r8m h ARG 170 N 0.48 0.61 -0.54 1.46 9.65 -1.15 -1.50 114.38 123.38 1r8m h ARG 170 Ca 0.08 -0.16 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1r8m h ARG 170 Cb 0.66 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 1r8m h ARG 170 CO 0.04 0.67 0.21 -0.92 2.80 0.00 0.00 179.97 182.77 1r8m h TYR 171 N 0.45 0.36 -0.30 2.20 3.20 -0.48 -2.37 116.97 120.03 1r8m h TYR 171 Ca 0.11 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 1r8m h TYR 171 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1r8m h TYR 171 CO 0.02 0.12 -0.28 0.00 -1.64 0.00 0.00 178.16 176.38 1r8m n LEU 173 N -4.09 0.60 0.00 0.00 7.94 -0.58 -2.28 117.00 118.59 1r8m n LEU 173 Ca -0.01 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1r8m n LEU 173 Cb 0.45 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1r8m n LEU 173 CO 0.44 0.12 0.00 0.59 -1.11 0.00 0.00 177.39 177.42 1r8m n ASN 175 N 0.53 0.00 -4.74 1.96 3.02 -0.11 -5.07 115.26 110.85 1r8m n ASN 175 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1r8m n ASN 175 Cb 0.12 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1r8m n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r8m n PRO 176 N 0.00 2.46 -0.45 3.52 -0.04 -0.96 -2.64 135.00 136.88 1r8m n PRO 176 Ca 0.00 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1r8m n PRO 176 Cb 0.00 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1r8m n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r8m n GLY 177 N 0.75 1.90 0.08 0.55 0.00 -1.26 -4.86 105.19 102.36 1r8m n GLY 177 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1r8m n GLY 177 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r8m h VAL 178 N 0.00 1.31 -4.18 1.61 2.07 -1.87 -3.44 116.25 111.74 1r8m h VAL 178 Ca 0.00 -0.98 -0.69 0.00 0.82 0.00 0.00 66.70 65.85 1r8m h VAL 178 Cb 0.00 1.83 -0.25 0.00 -1.52 0.00 0.00 31.29 31.35 1r8m h VAL 178 CO 0.00 0.27 -0.84 -0.36 0.02 0.00 0.00 177.57 176.66 1r8m s PHE 179 N -4.64 2.48 -0.32 1.57 0.08 -1.26 -5.03 117.98 110.85 1r8m s PHE 179 Ca -0.15 -0.32 0.27 0.00 0.12 0.00 0.00 56.93 56.85 1r8m s PHE 179 Cb 0.04 -1.48 0.77 0.00 -0.57 0.00 0.00 43.02 41.78 1r8m s PHE 179 CO 0.70 0.16 1.76 1.96 -0.10 0.00 0.00 175.22 179.69 1r8m h GLN 180 N 4.90 0.00 -4.01 0.44 1.08 -1.87 -3.45 115.11 112.20 1r8m h GLN 180 Ca -0.46 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.61 1r8m h GLN 180 Cb 1.14 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.45 1r8m h GLN 180 CO 0.47 0.00 -0.36 -1.54 -0.95 0.00 0.00 178.83 176.45 1r8m s SER 181 N -5.67 0.05 0.29 1.46 1.04 -1.26 -5.03 113.70 104.59 1r8m s SER 181 Ca 0.05 -1.01 0.13 0.00 0.48 0.00 0.00 55.95 55.61 1r8m s SER 181 Cb 0.08 0.45 0.40 0.00 0.10 0.00 0.00 66.02 67.04 1r8m s SER 181 CO 0.60 -0.93 1.61 0.71 0.98 0.00 0.00 173.24 176.21 1r8m h THR 182 N 2.52 1.24 -0.20 2.02 1.35 -1.92 -2.75 112.91 115.18 1r8m h THR 182 Ca -0.31 -2.04 -0.08 0.00 -0.55 0.00 0.00 66.41 63.43 1r8m h THR 182 Cb 1.24 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1r8m h THR 182 CO 0.47 0.55 -0.22 0.44 -0.25 0.00 0.00 175.52 176.51 1r8m h ASP 183 N 0.00 0.35 -0.47 5.36 3.32 -1.96 0.50 116.42 123.51 1r8m h ASP 183 Ca -0.01 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1r8m h ASP 183 Cb 1.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1r8m h ASP 183 CO 0.07 0.58 0.18 0.74 -1.72 0.00 0.00 179.24 179.09 1r8m h THR 184 N 0.32 1.21 -0.20 0.35 2.02 -1.72 -0.16 112.91 114.73 1r8m h THR 184 Ca 0.05 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 1r8m h THR 184 Cb 0.57 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1r8m h THR 184 CO 0.04 0.25 -0.56 0.00 0.37 0.00 0.00 175.52 175.62 1r8m h TYR 186 N 0.47 -0.37 -0.71 0.00 3.20 -0.66 0.20 116.97 119.09 1r8m h TYR 186 Ca 0.01 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1r8m h TYR 186 Cb 1.12 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 39.42 1r8m h TYR 186 CO 0.05 -0.16 0.29 0.28 -1.64 0.00 0.00 178.16 176.98 1r8m h VAL 187 N -0.50 0.73 -0.08 1.81 2.07 -0.93 -2.57 116.25 116.78 1r8m h VAL 187 Ca -0.04 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1r8m h VAL 187 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1r8m h VAL 187 CO 0.07 0.09 -0.54 0.25 0.02 0.00 0.00 177.57 177.45 1r8m h LEU 188 N 0.47 0.25 -0.59 2.57 5.85 -0.98 -0.99 115.31 121.89 1r8m h LEU 188 Ca 0.37 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1r8m h LEU 188 Cb 0.51 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1r8m h LEU 188 CO -0.35 0.74 0.18 0.28 -0.34 0.00 0.00 178.44 178.95 1r8m h SER 189 N 0.18 0.87 -0.60 1.25 0.02 -0.67 -0.41 113.55 114.18 1r8m h SER 189 Ca 0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1r8m h SER 189 Cb 1.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1r8m h SER 189 CO 0.08 0.85 0.23 1.88 -1.14 0.00 0.00 176.83 178.73 1r8m h TYR 190 N 0.84 0.93 -0.78 3.45 0.99 -1.24 -1.51 116.97 119.65 1r8m h TYR 190 Ca 0.19 -0.08 0.14 0.00 2.00 0.00 0.00 58.73 60.99 1r8m h TYR 190 Cb 0.29 -0.28 -0.09 0.00 1.00 0.00 0.00 36.73 37.65 1r8m h TYR 190 CO 0.02 0.75 0.34 0.77 -0.00 0.00 0.00 178.16 180.04 1r8m h SER 191 N 0.84 0.36 -0.29 3.88 0.02 -0.37 0.24 113.55 118.23 1r8m h SER 191 Ca 0.20 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1r8m h SER 191 Cb 0.22 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1r8m h SER 191 CO -0.01 0.14 -0.17 0.58 -1.14 0.00 0.00 176.83 176.23 1r8m h VAL 192 N 0.50 1.30 -0.76 2.27 2.07 -0.85 -0.22 116.25 120.56 1r8m h VAL 192 Ca 0.42 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1r8m h VAL 192 Cb 0.62 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1r8m h VAL 192 CO -0.38 0.41 0.26 0.40 0.02 0.00 0.00 177.57 178.27 1r8m h ILE 193 N 0.37 1.26 -0.20 4.57 2.04 -0.88 -1.60 117.51 123.07 1r8m h ILE 193 Ca 0.06 -0.89 -0.17 0.00 1.00 0.00 0.00 64.86 64.87 1r8m h ILE 193 Cb 0.70 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1r8m h ILE 193 CO 0.05 0.35 -0.56 0.24 0.00 0.00 0.00 178.15 178.23 1r8m h MET 194 N 1.12 0.62 -0.60 2.37 2.86 -0.89 -1.92 114.93 118.50 1r8m h MET 194 Ca 0.25 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1r8m h MET 194 Cb 0.28 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1r8m h MET 194 CO -0.01 1.01 0.31 1.25 1.06 0.00 0.00 176.91 180.53 1r8m h LEU 195 N 0.47 0.76 -0.40 1.22 5.85 -0.87 0.22 115.31 122.57 1r8m h LEU 195 Ca 0.01 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1r8m h LEU 195 Cb 1.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1r8m h LEU 195 CO 0.11 0.65 0.24 -1.13 -0.34 0.00 0.00 178.44 177.97 1r8m h ASN 196 N 0.81 0.39 -0.19 1.25 -1.24 -1.11 0.18 115.58 115.67 1r8m h ASN 196 Ca 0.21 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1r8m h ASN 196 Cb 0.07 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1r8m h ASN 196 CO -0.03 0.28 0.11 0.74 -1.29 0.00 0.00 177.43 177.24 1r8m h THR 197 N 0.48 1.09 -0.40 -3.57 2.02 -1.00 -2.19 112.91 109.35 1r8m h THR 197 Ca 0.16 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1r8m h THR 197 Cb -0.00 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1r8m h THR 197 CO -0.07 0.09 0.18 -0.78 0.37 0.00 0.00 175.52 175.31 1r8m h ASP 198 N 0.22 0.53 -0.22 4.18 1.82 -0.14 0.69 116.42 123.50 1r8m h ASP 198 Ca 0.07 -0.14 -0.20 0.00 -0.39 0.00 0.00 57.03 56.37 1r8m h ASP 198 Cb 0.04 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 39.92 1r8m h ASP 198 CO -0.01 0.53 -0.63 -0.07 -1.61 0.00 0.00 179.24 177.45 1r8m h LEU 199 N 0.50 0.94 0.00 2.28 3.38 -0.73 -3.38 115.31 118.30 1r8m h LEU 199 Ca 0.14 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1r8m h LEU 199 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1r8m h LEU 199 CO -0.01 1.35 -0.76 1.41 0.09 0.00 0.00 178.44 180.52 1r8m n HIS 200 N -4.00 0.00 -3.14 1.13 8.25 -0.82 -4.81 115.22 111.82 1r8m n HIS 200 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 1r8m n HIS 200 Cb 0.67 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.66 1r8m n HIS 200 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1r8m s ASN 201 N -2.40 6.38 0.35 0.41 3.84 0.23 -4.97 114.94 118.78 1r8m s ASN 201 Ca 0.03 0.01 0.26 0.00 0.21 0.00 0.00 52.86 53.38 1r8m s ASN 201 Cb 0.09 -2.31 1.20 0.00 -0.55 0.00 0.00 41.25 39.68 1r8m s ASN 201 CO 0.52 -0.61 1.80 -0.65 -2.79 0.00 0.00 177.10 175.37 1r8m h PRO 202 N 8.54 0.00 0.00 0.43 0.11 -1.87 -2.24 132.00 136.97 1r8m h PRO 202 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1r8m h PRO 202 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1r8m h PRO 202 CO 0.83 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.71 1r8m h ASN 203 N 0.00 0.00 -2.17 -2.05 2.35 -1.94 -3.33 115.58 108.45 1r8m h ASN 203 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 1r8m h ASN 203 Cb 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.50 1r8m h ASN 203 CO 0.00 0.00 0.93 -0.69 -1.65 0.00 0.00 177.43 176.02 1r8m s VAL 204 N -3.90 4.42 0.00 2.81 1.01 -0.84 -4.96 120.40 118.93 1r8m s VAL 204 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1r8m s VAL 204 Cb 0.11 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1r8m s VAL 204 CO 0.46 -1.61 0.09 -2.11 0.00 0.00 0.00 175.10 171.94 1r8m n ARG 205 N 7.43 0.00 -3.70 2.72 0.00 -1.25 -4.70 116.66 117.15 1r8m n ARG 205 Ca 0.19 0.09 -0.37 0.00 -0.00 0.00 0.00 57.85 57.76 1r8m n ARG 205 Cb 0.49 -0.31 -0.06 0.00 -0.00 0.00 0.00 32.46 32.58 1r8m n ARG 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1r8m s ASP 206 N -1.28 6.54 -0.04 2.89 1.01 -1.26 -5.06 116.67 119.47 1r8m s ASP 206 Ca 0.00 0.65 0.01 0.00 0.71 0.00 0.00 52.55 53.91 1r8m s ASP 206 Cb 0.00 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 1r8m s ASP 206 CO 0.00 0.34 -0.02 -0.54 0.21 0.00 0.00 175.17 175.16 1r8m s LYS 207 N -0.85 2.81 -0.05 8.23 -0.14 -1.26 -5.04 119.74 123.43 1r8m s LYS 207 Ca 0.18 -0.56 -0.28 0.00 -1.36 0.00 0.00 55.97 53.95 1r8m s LYS 207 Cb -0.14 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1r8m s LYS 207 CO 0.07 0.65 0.92 1.41 -0.76 0.00 0.00 175.35 177.64 1r8m s MET 208 N -1.22 4.48 0.67 1.68 -2.45 -1.26 -5.04 119.30 116.16 1r8m s MET 208 Ca 0.16 1.27 -0.06 0.00 -1.25 0.00 0.00 55.69 55.81 1r8m s MET 208 Cb -0.11 -3.49 0.04 0.00 1.25 0.00 0.00 34.83 32.52 1r8m s MET 208 CO 0.06 -0.12 0.98 0.20 1.05 0.00 0.00 175.02 177.19 1r8m s GLY 209 N 1.00 1.67 0.12 2.11 0.00 -1.26 -4.92 107.32 106.04 1r8m s GLY 209 Ca 0.47 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 44.06 1r8m s GLY 209 CO 0.22 -0.49 1.62 -2.00 0.00 0.00 0.00 173.10 172.46 1r8m h LEU 210 N -0.47 -0.86 -0.83 0.66 5.85 -1.99 -1.70 115.31 115.97 1r8m h LEU 210 Ca -0.45 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.50 1r8m h LEU 210 Cb 1.30 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.58 1r8m h LEU 210 CO 0.60 -0.38 0.45 -0.33 -0.34 0.00 0.00 178.44 178.45 1r8m h GLU 211 N -0.49 0.69 -0.53 1.25 3.07 -1.99 0.52 114.58 117.10 1r8m h GLU 211 Ca 0.04 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1r8m h GLU 211 Cb 0.54 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1r8m h GLU 211 CO -0.20 0.46 -0.14 -0.09 -1.40 0.00 0.00 179.01 177.63 1r8m h ARG 212 N 0.71 1.03 -0.90 2.33 2.43 -1.89 -1.19 114.38 116.91 1r8m h ARG 212 Ca 0.43 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1r8m h ARG 212 Cb 0.49 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1r8m h ARG 212 CO -0.30 1.09 0.55 0.35 -1.51 0.00 0.00 179.97 180.15 1r8m h PHE 213 N 0.91 1.18 -0.24 2.20 3.57 -0.30 -0.85 116.94 123.41 1r8m h PHE 213 Ca 0.13 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1r8m h PHE 213 Cb 0.72 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1r8m h PHE 213 CO 0.05 0.78 -0.48 0.28 -2.23 0.00 0.00 178.31 176.71 1r8m h VAL 214 N 1.24 1.30 -0.30 1.41 2.07 -0.70 -2.63 116.25 118.64 1r8m h VAL 214 Ca 0.32 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1r8m h VAL 214 Cb -0.06 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1r8m h VAL 214 CO -0.06 0.54 0.07 0.00 0.02 0.00 0.00 177.57 178.13 1r8m h ALA 215 N 0.95 0.40 -0.82 1.67 0.00 -0.77 -1.62 119.26 119.08 1r8m h ALA 215 Ca 0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1r8m h ALA 215 Cb 1.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1r8m h ALA 215 CO 0.10 0.07 0.53 0.52 0.00 0.00 0.00 179.25 180.47 1r8m h MET 216 N 0.32 0.90 -0.01 0.00 2.07 -1.15 -3.32 114.93 113.74 1r8m h MET 216 Ca 0.09 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1r8m h MET 216 Cb 0.31 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 1r8m h MET 216 CO 0.00 0.60 -0.23 0.09 1.07 0.00 0.00 176.91 178.44 1r8m n ASN 217 N -4.47 1.68 0.09 1.22 3.02 -1.00 -4.56 115.26 111.24 1r8m n ASN 217 Ca 0.12 -1.34 -0.06 0.00 -0.03 0.00 0.00 54.58 53.27 1r8m n ASN 217 Cb 0.18 0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1r8m n ASN 217 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1r8m h ARG 218 N 1.92 0.02 0.00 3.52 0.11 -1.40 -3.17 114.38 115.38 1r8m h ARG 218 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1r8m h ARG 218 Cb 0.52 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1r8m h ARG 218 CO 0.00 0.89 0.00 0.78 0.10 0.00 0.00 179.97 181.74 1r8m h GLY 219 N 2.53 0.00 0.73 0.08 0.00 -1.80 -3.21 103.07 101.40 1r8m h GLY 219 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1r8m h GLY 219 CO 0.12 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.95 1r8m n ILE 220 N -2.47 0.00 -0.05 2.60 -5.35 -1.20 -4.26 119.36 108.63 1r8m n ILE 220 Ca 0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 1r8m n ILE 220 Cb 0.21 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 37.73 1r8m n ILE 220 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1r8m h ASN 221 N 0.00 0.00 0.00 7.28 -1.24 -1.81 -3.41 115.58 116.41 1r8m h ASN 221 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1r8m h ASN 221 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1r8m h ASN 221 CO 0.00 0.56 0.00 -1.84 -1.29 0.00 0.00 177.43 174.86 1r8m n GLU 222 N -4.75 0.00 0.00 6.67 0.28 -1.26 -4.46 120.64 117.11 1r8m n GLU 222 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1r8m n GLU 222 Cb 0.06 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.93 1r8m n GLU 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1r8m n GLY 223 N 0.00 -0.43 3.04 -1.84 0.00 -1.26 -5.06 105.19 99.64 1r8m n GLY 223 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1r8m n GLY 223 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r8m s GLY 224 N -0.06 0.07 1.15 -0.02 0.00 -1.26 -5.17 107.32 102.03 1r8m s GLY 224 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 1r8m s GLY 224 CO 0.00 -0.26 1.06 0.99 0.00 0.00 0.00 173.10 174.89 1r8m s ASP 225 N -1.04 1.26 0.00 1.64 1.01 -1.26 -4.57 116.67 113.71 1r8m s ASP 225 Ca -0.11 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.19 1r8m s ASP 225 Cb -0.07 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.28 1r8m s ASP 225 CO 0.00 -3.96 0.00 0.18 0.21 0.00 0.00 175.17 171.60 1r8m n LEU 226 N -4.71 0.00 -4.78 1.23 4.77 -1.21 -4.97 117.00 107.33 1r8m n LEU 226 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.66 1r8m n LEU 226 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1r8m n LEU 226 CO 0.52 -0.00 0.41 -2.16 -1.33 0.00 0.00 177.39 174.84 1r8m s PRO 227 N 0.00 4.45 0.53 3.23 0.05 -1.26 -4.99 135.00 137.00 1r8m s PRO 227 Ca 0.00 1.02 0.33 0.00 0.05 0.00 0.00 61.00 62.39 1r8m s PRO 227 Cb 0.00 -3.27 1.31 0.00 0.05 0.00 0.00 34.50 32.59 1r8m s PRO 227 CO 0.00 0.55 1.95 0.93 0.05 0.00 0.00 177.00 180.48 1r8m h GLU 228 N 4.59 0.00 -0.53 4.56 5.08 -1.98 -2.85 114.58 123.45 1r8m h GLU 228 Ca -0.47 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1r8m h GLU 228 Cb 1.21 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 1r8m h GLU 228 CO 0.66 0.00 0.05 0.93 -1.00 0.00 0.00 179.01 179.65 1r8m h GLU 229 N 0.00 0.16 -0.29 2.33 3.07 -1.99 -1.36 114.58 116.51 1r8m h GLU 229 Ca 0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 1r8m h GLU 229 Cb 0.52 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1r8m h GLU 229 CO 0.00 0.11 -0.12 1.25 -1.40 0.00 0.00 179.01 178.84 1r8m h LEU 230 N 0.17 0.60 -0.55 1.33 5.85 -1.92 -2.40 115.31 118.39 1r8m h LEU 230 Ca 0.27 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1r8m h LEU 230 Cb 0.40 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1r8m h LEU 230 CO -0.40 0.87 0.20 -0.07 -0.34 0.00 0.00 178.44 178.70 1r8m h LEU 231 N 0.34 0.77 -1.17 2.25 3.38 -1.53 -2.55 115.31 116.80 1r8m h LEU 231 Ca 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1r8m h LEU 231 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1r8m h LEU 231 CO 0.04 0.74 0.37 -0.09 0.09 0.00 0.00 178.44 179.59 1r8m h ARG 232 N 0.75 0.95 -0.57 1.13 2.43 -1.21 -1.45 114.38 116.40 1r8m h ARG 232 Ca 0.18 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1r8m h ARG 232 Cb 0.22 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1r8m h ARG 232 CO -0.01 0.70 0.27 -0.97 -1.51 0.00 0.00 179.97 178.45 1r8m h ASN 233 N 0.96 0.75 -0.01 -3.80 -0.00 -1.12 -0.81 115.58 111.54 1r8m h ASN 233 Ca 0.24 -0.13 -0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1r8m h ASN 233 Cb 0.03 -0.19 -0.00 0.00 -0.00 0.00 0.00 38.32 38.15 1r8m h ASN 233 CO -0.04 0.67 0.00 -0.07 -0.00 0.00 0.00 177.43 177.99 1r8m h LEU 234 N 0.77 0.01 0.04 0.34 3.38 -1.24 -2.19 115.31 116.42 1r8m h LEU 234 Ca 0.20 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1r8m h LEU 234 Cb 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1r8m h LEU 234 CO -0.02 0.24 -0.25 0.22 0.09 0.00 0.00 178.44 178.72 1r8m h TYR 235 N -0.21 -0.66 -0.53 1.13 3.20 -1.11 -2.41 116.97 116.38 1r8m h TYR 235 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1r8m h TYR 235 Cb 0.23 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1r8m h TYR 235 CO 0.00 -0.34 0.09 -0.44 -1.64 0.00 0.00 178.16 175.83 1r8m h ASP 236 N -0.41 0.80 0.02 -2.11 3.32 -1.18 -0.31 116.42 116.55 1r8m h ASP 236 Ca 0.05 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1r8m h ASP 236 Cb 0.47 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1r8m h ASP 236 CO -0.19 0.81 -0.25 -1.28 -1.72 0.00 0.00 179.24 176.61 1r8m h SER 237 N 0.80 -0.73 -0.13 6.45 0.87 -1.17 0.73 113.55 120.37 1r8m h SER 237 Ca 0.17 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1r8m h SER 237 Cb 0.36 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1r8m h SER 237 CO 0.01 -0.32 0.05 0.40 -0.53 0.00 0.00 176.83 176.43 1r8m h ILE 238 N -0.40 1.17 -0.97 2.23 1.08 -1.33 -2.16 117.51 117.14 1r8m h ILE 238 Ca 0.06 -0.53 0.10 0.00 -0.39 0.00 0.00 64.86 64.10 1r8m h ILE 238 Cb 0.47 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 1r8m h ILE 238 CO -0.21 0.16 0.62 -0.09 -0.69 0.00 0.00 178.15 177.94 1r8m h ARG 239 N 0.04 0.98 0.00 2.37 9.65 -0.83 -2.64 114.38 123.95 1r8m h ARG 239 Ca 0.04 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1r8m h ARG 239 Cb 0.21 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1r8m h ARG 239 CO -0.00 0.65 -0.94 0.09 2.80 0.00 0.00 179.97 182.57 1r8m n ASN 240 N -4.56 0.66 -3.35 -3.80 3.02 0.23 -4.69 115.26 102.76 1r8m n ASN 240 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.59 1r8m n ASN 240 Cb 0.30 0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 39.97 1r8m n ASN 240 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1r8m s GLU 241 N -3.23 0.37 0.99 3.52 2.12 -0.82 -5.08 118.70 116.56 1r8m s GLU 241 Ca 0.03 0.00 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 1r8m s GLU 241 Cb 0.13 -0.49 0.13 0.00 0.26 0.00 0.00 34.13 34.16 1r8m s GLU 241 CO 0.78 -1.02 0.76 -2.30 -0.54 0.00 0.00 175.26 172.93 1r8m n PRO 242 N 5.33 -0.83 -1.71 4.30 -0.02 -1.20 -4.30 135.00 136.57 1r8m n PRO 242 Ca -0.01 -0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 60.85 1r8m n PRO 242 Cb 0.48 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1r8m n PRO 242 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1r8m n PHE 243 N -4.17 2.71 -2.52 6.00 3.72 -1.26 -4.93 117.46 117.01 1r8m n PHE 243 Ca 0.08 0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 57.06 1r8m n PHE 243 Cb 0.54 -2.68 -0.02 0.00 -0.94 0.00 0.00 39.48 36.38 1r8m n PHE 243 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1r8m s LYS 244 N 1.44 4.27 0.03 -1.08 2.20 -1.26 -5.03 119.74 120.31 1r8m s LYS 244 Ca 0.76 1.56 0.08 0.00 -0.36 0.00 0.00 55.97 58.01 1r8m s LYS 244 Cb -0.51 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1r8m s LYS 244 CO 0.33 -0.61 -0.24 0.42 -0.36 0.00 0.00 175.35 174.89 1r8m s ILE 245 N 3.10 1.92 -1.34 5.43 -1.09 -1.26 -4.44 121.20 123.52 1r8m s ILE 245 Ca 0.51 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1r8m s ILE 245 Cb -0.20 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1r8m s ILE 245 CO 0.14 0.36 0.34 -2.65 -1.23 0.00 0.00 174.94 171.89