#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgq h GLN 2 N 0.00 0.59 -0.03 0.03 1.08 -2.04 0.90 115.11 115.64 1kgq h GLN 2 Ca 0.00 -0.63 0.01 0.00 -1.45 0.00 0.00 58.65 56.58 1kgq h GLN 2 Cb 0.00 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1kgq h GLN 2 CO 0.00 1.24 0.09 1.96 -0.95 0.00 0.00 178.83 181.17 1kgq h GLN 3 N 0.33 0.00 0.00 1.46 4.20 -2.06 -0.01 115.11 119.03 1kgq h GLN 3 Ca -0.11 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.18 1kgq h GLN 3 Cb 1.64 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.36 1kgq h GLN 3 CO 0.19 0.00 -2.39 1.28 -0.67 0.00 0.00 178.83 177.23 1kgq n LEU 4 N -3.26 1.88 -0.30 1.46 4.77 -1.09 -4.40 117.00 116.06 1kgq n LEU 4 Ca -0.02 0.33 0.24 0.00 -0.03 0.00 0.00 56.01 56.53 1kgq n LEU 4 Cb 0.17 -0.78 0.56 0.00 -2.33 0.00 0.00 43.42 41.04 1kgq n LEU 4 CO 0.21 0.50 1.24 -0.61 -1.33 0.00 0.00 177.39 177.40 1kgq h GLN 5 N -0.96 0.30 0.35 3.23 4.15 0.12 -1.92 115.11 120.39 1kgq h GLN 5 Ca -0.64 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.75 1kgq h GLN 5 Cb 1.55 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1kgq h GLN 5 CO -0.38 0.20 -0.17 -0.91 -1.93 0.00 0.00 178.83 175.64 1kgq h ASN 6 N 0.31 -0.40 -0.53 -0.69 2.35 -1.23 -2.14 115.58 113.25 1kgq h ASN 6 Ca 0.55 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 56.23 1kgq h ASN 6 Cb 1.56 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 39.97 1kgq h ASN 6 CO -0.21 -0.04 0.19 0.58 -1.65 0.00 0.00 177.43 176.30 1kgq h VAL 7 N -0.81 0.81 0.39 2.81 2.07 -1.70 -2.13 116.25 117.69 1kgq h VAL 7 Ca -0.05 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1kgq h VAL 7 Cb 0.52 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1kgq h VAL 7 CO 0.08 0.07 -0.41 0.40 0.02 0.00 0.00 177.57 177.72 1kgq h ILE 8 N 0.37 0.17 0.00 4.57 1.08 -1.34 -1.97 117.51 120.39 1kgq h ILE 8 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 1kgq h ILE 8 Cb 0.29 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1kgq h ILE 8 CO -0.27 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 176.86 1kgq h GLU 9 N -0.83 0.00 0.13 2.37 5.08 -1.20 -2.25 114.58 117.88 1kgq h GLU 9 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1kgq h GLU 9 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1kgq h GLU 9 CO -0.08 0.00 -0.06 0.77 -1.00 0.00 0.00 179.01 178.64 1kgq h SER 10 N 0.00 -0.15 -0.72 1.42 0.02 -0.70 -3.35 113.55 110.08 1kgq h SER 10 Ca 0.00 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1kgq h SER 10 Cb 0.20 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1kgq h SER 10 CO 0.00 0.45 0.45 0.00 -1.14 0.00 0.00 176.83 176.58 1kgq h ALA 11 N -0.39 0.95 -1.05 3.77 0.00 -1.11 -2.64 119.26 118.79 1kgq h ALA 11 Ca -0.02 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1kgq h ALA 11 Cb 0.51 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1kgq h ALA 11 CO 0.03 0.21 0.68 0.35 0.00 0.00 0.00 179.25 180.52 1kgq h PHE 12 N 0.86 0.63 -0.16 0.00 3.57 -1.54 0.90 116.94 121.19 1kgq h PHE 12 Ca 0.29 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1kgq h PHE 12 Cb 0.05 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1kgq h PHE 12 CO -0.04 0.05 -0.15 0.93 -2.23 0.00 0.00 178.31 176.86 1kgq h GLU 13 N 0.37 0.26 -0.62 1.11 3.07 -1.59 -2.20 114.58 114.97 1kgq h GLU 13 Ca 0.60 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1kgq h GLU 13 Cb 1.56 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1kgq h GLU 13 CO -0.29 0.42 0.00 0.54 -1.40 0.00 0.00 179.01 178.28 1kgq n ARG 14 N -4.24 3.07 -0.35 2.33 1.74 0.30 -4.72 116.66 114.78 1kgq n ARG 14 Ca -0.01 -2.29 0.05 0.00 -0.77 0.00 0.00 57.85 54.83 1kgq n ARG 14 Cb 0.29 -1.72 0.13 0.00 -1.02 0.00 0.00 32.46 30.14 1kgq n ARG 14 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1kgq h ARG 15 N 3.38 -0.00 0.00 5.56 0.11 -0.61 -0.71 114.38 122.11 1kgq h ARG 15 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1kgq h ARG 15 Cb 1.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 1kgq h ARG 15 CO 0.16 -0.00 -0.04 0.00 0.10 0.00 0.00 179.97 180.18 1kgq h ALA 16 N 1.94 1.09 -0.03 0.08 0.00 -1.86 -2.89 119.26 117.60 1kgq h ALA 16 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1kgq h ALA 16 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kgq h ALA 16 CO -1.01 0.06 -0.06 -0.25 0.00 0.00 0.00 179.25 177.99 1kgq n ASP 17 N -3.27 2.56 -4.88 0.00 10.43 -0.29 -4.92 116.55 116.18 1kgq n ASP 17 Ca -0.01 -1.82 -0.34 0.00 2.57 0.00 0.00 54.79 55.19 1kgq n ASP 17 Cb 0.22 0.06 -0.05 0.00 1.84 0.00 0.00 41.12 43.18 1kgq n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1kgq s ILE 18 N -2.07 5.14 0.15 0.53 1.01 -1.09 -4.96 121.20 119.91 1kgq s ILE 18 Ca 0.29 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 1kgq s ILE 18 Cb 0.20 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1kgq s ILE 18 CO 0.34 0.20 0.32 0.42 0.00 0.00 0.00 174.94 176.23 1kgq s THR 19 N -1.49 0.08 -0.70 2.92 -4.23 -1.24 -4.88 115.64 106.09 1kgq s THR 19 Ca 0.35 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1kgq s THR 19 Cb -0.13 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 72.14 1kgq s THR 19 CO 0.20 -0.34 1.07 -2.65 -0.54 0.00 0.00 174.62 172.36 1kgq n PRO 20 N -0.21 0.03 -0.07 3.99 -0.02 -0.97 -1.96 135.00 135.79 1kgq n PRO 20 Ca -0.10 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1kgq n PRO 20 Cb 0.63 -1.66 -0.09 0.00 -0.02 0.00 0.00 33.50 32.35 1kgq n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kgq n ALA 21 N -1.50 1.67 1.13 3.55 0.00 -1.26 -4.51 120.51 119.60 1kgq n ALA 21 Ca -0.00 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.76 1kgq n ALA 21 Cb 0.08 0.02 0.25 0.00 0.00 0.00 0.00 19.45 19.80 1kgq n ALA 21 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1kgq n ASN 22 N -2.64 1.09 -4.73 0.00 6.94 -1.08 -4.93 115.26 109.93 1kgq n ASN 22 Ca -0.24 -0.88 -0.42 0.00 -0.02 0.00 0.00 54.58 53.03 1kgq n ASN 22 Cb 0.88 0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 38.56 1kgq n ASN 22 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1kgq s VAL 23 N -2.63 3.26 0.38 3.53 0.11 -0.83 -4.87 120.40 119.35 1kgq s VAL 23 Ca 0.19 0.97 -0.25 0.00 -2.93 0.00 0.00 61.98 59.96 1kgq s VAL 23 Cb 0.18 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 31.33 1kgq s VAL 23 CO 0.59 0.11 1.07 1.51 -3.33 0.00 0.00 175.10 175.05 1kgq s ASP 24 N 0.71 6.81 0.33 3.54 1.47 -1.26 -4.91 116.67 123.36 1kgq s ASP 24 Ca 0.60 2.10 0.12 0.00 1.18 0.00 0.00 52.55 56.56 1kgq s ASP 24 Cb -0.37 -2.59 0.99 0.00 -0.34 0.00 0.00 42.92 40.61 1kgq s ASP 24 CO 0.34 -0.45 1.69 0.74 0.68 0.00 0.00 175.17 178.17 1kgq h THR 25 N 2.35 0.39 0.17 2.11 2.02 -1.99 -2.33 112.91 115.62 1kgq h THR 25 Ca -0.48 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1kgq h THR 25 Cb 1.22 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1kgq h THR 25 CO 0.63 0.07 -0.17 0.58 0.37 0.00 0.00 175.52 177.00 1kgq h VAL 26 N 0.41 0.00 -0.96 3.16 2.07 -2.00 -1.14 116.25 117.79 1kgq h VAL 26 Ca 0.69 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.37 1kgq h VAL 26 Cb 1.48 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1kgq h VAL 26 CO -0.56 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.37 1kgq h THR 27 N -0.34 0.80 0.44 2.57 2.02 -1.85 -1.05 112.91 115.50 1kgq h THR 27 Ca -0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1kgq h THR 27 Cb 0.30 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1kgq h THR 27 CO -0.02 0.14 -0.21 -0.09 0.37 0.00 0.00 175.52 175.71 1kgq h ARG 28 N 0.77 -0.57 -0.81 6.66 2.43 -1.29 -1.83 114.38 119.73 1kgq h ARG 28 Ca 0.50 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.78 1kgq h ARG 28 Cb 0.76 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1kgq h ARG 28 CO -0.27 -0.33 0.53 0.93 -1.51 0.00 0.00 179.97 179.32 1kgq h GLU 29 N -0.68 0.85 -0.22 0.20 5.08 -0.63 -1.12 114.58 118.05 1kgq h GLU 29 Ca -0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1kgq h GLU 29 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1kgq h GLU 29 CO 0.10 0.56 -0.03 0.00 -1.00 0.00 0.00 179.01 178.64 1kgq h ALA 30 N 1.56 0.31 -0.54 3.43 0.00 -0.96 -0.76 119.26 122.30 1kgq h ALA 30 Ca 0.35 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1kgq h ALA 30 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1kgq h ALA 30 CO -0.13 0.07 0.11 0.28 0.00 0.00 0.00 179.25 179.59 1kgq h VAL 31 N 0.16 1.25 -0.53 0.00 2.07 -1.12 0.27 116.25 118.36 1kgq h VAL 31 Ca 0.06 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.75 1kgq h VAL 31 Cb 0.47 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1kgq h VAL 31 CO 0.02 0.33 0.16 0.78 0.02 0.00 0.00 177.57 178.88 1kgq h ASN 32 N 0.77 0.12 -0.30 0.57 2.35 -1.08 -1.46 115.58 116.55 1kgq h ASN 32 Ca 0.17 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1kgq h ASN 32 Cb 0.37 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1kgq h ASN 32 CO 0.01 0.09 0.16 1.56 -1.65 0.00 0.00 177.43 177.59 1kgq h GLN 33 N 0.32 0.42 -0.72 0.81 1.08 -0.26 -2.16 115.11 114.60 1kgq h GLN 33 Ca 0.26 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1kgq h GLN 33 Cb 0.32 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 1kgq h GLN 33 CO -0.29 0.37 0.46 0.28 -0.95 0.00 0.00 178.83 178.69 1kgq h VAL 34 N 0.36 1.19 -0.16 -0.54 2.07 -0.36 -2.14 116.25 116.67 1kgq h VAL 34 Ca 0.10 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1kgq h VAL 34 Cb 0.08 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1kgq h VAL 34 CO -0.02 0.20 -0.44 0.40 0.02 0.00 0.00 177.57 177.73 1kgq h ILE 35 N 0.99 1.32 0.00 4.57 1.08 -1.07 -2.32 117.51 122.07 1kgq h ILE 35 Ca 0.26 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1kgq h ILE 35 Cb -0.08 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1kgq h ILE 35 CO -0.05 0.49 -0.02 1.23 -0.69 0.00 0.00 178.15 179.11 1kgq h GLY 36 N 1.17 0.00 0.93 5.37 0.00 -0.74 -1.64 103.07 108.16 1kgq h GLY 36 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.05 1kgq h GLY 36 CO 0.08 0.00 -1.75 1.41 0.00 0.00 0.00 176.54 176.28 1kgq h LEU 37 N 0.00 0.09 -0.32 3.11 3.38 -1.22 -3.04 115.31 117.32 1kgq h LEU 37 Ca -0.00 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 1kgq h LEU 37 Cb 0.49 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1kgq h LEU 37 CO 0.00 1.17 -0.49 -0.07 0.09 0.00 0.00 178.44 179.15 1kgq h LEU 38 N 0.02 0.98 -1.82 1.67 3.38 -1.21 -2.24 115.31 116.07 1kgq h LEU 38 Ca -0.31 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.20 1kgq h LEU 38 Cb 2.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1kgq h LEU 38 CO 0.08 1.30 0.21 -0.78 0.09 0.00 0.00 178.44 179.35 1kgq h ASP 39 N 0.68 0.19 1.59 -0.43 3.58 -1.37 -2.70 116.42 117.96 1kgq h ASP 39 Ca 0.03 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1kgq h ASP 39 Cb 1.09 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1kgq h ASP 39 CO 0.11 0.13 -0.37 0.28 -2.88 0.00 0.00 179.24 176.51 1kgq h SER 40 N 0.22 0.00 0.00 2.28 0.02 -1.37 -3.39 113.55 111.31 1kgq h SER 40 Ca 0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1kgq h SER 40 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1kgq h SER 40 CO -0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1kgq n GLY 41 N 1.15 1.54 0.28 -3.77 0.00 -0.99 -4.88 105.19 98.52 1kgq n GLY 41 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1kgq n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kgq h ALA 42 N 0.00 1.75 -3.31 4.61 0.00 -1.71 -3.41 119.26 117.19 1kgq h ALA 42 Ca 0.00 -0.06 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 1kgq h ALA 42 Cb 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 17.49 1kgq h ALA 42 CO 0.00 0.20 -0.79 -0.51 0.00 0.00 0.00 179.25 178.15 1kgq s LEU 43 N -9.22 2.34 -0.07 0.00 1.43 -0.89 -5.02 118.68 107.26 1kgq s LEU 43 Ca -0.07 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 1kgq s LEU 43 Cb 0.17 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.71 1kgq s LEU 43 CO 0.71 -0.04 0.23 0.00 0.23 0.00 0.00 176.35 177.48 1kgq s ARG 44 N -2.17 0.35 0.32 1.70 1.70 -1.26 -4.34 118.95 115.25 1kgq s ARG 44 Ca 0.06 0.15 -0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1kgq s ARG 44 Cb -0.08 0.16 0.52 0.00 -0.57 0.00 0.00 34.95 34.98 1kgq s ARG 44 CO 0.04 -0.06 1.97 0.28 -1.08 0.00 0.00 175.30 176.45 1kgq h VAL 45 N 4.59 1.19 -3.95 4.99 2.07 -1.91 -3.43 116.25 119.80 1kgq h VAL 45 Ca -0.27 -0.39 -0.28 0.00 0.82 0.00 0.00 66.70 66.59 1kgq h VAL 45 Cb 1.19 0.16 -0.23 0.00 -1.52 0.00 0.00 31.29 30.89 1kgq h VAL 45 CO 0.37 0.19 -0.74 0.00 0.02 0.00 0.00 177.57 177.42 1kgq s ALA 46 N -5.78 0.52 0.02 1.67 0.00 -1.26 -0.88 121.76 116.05 1kgq s ALA 46 Ca -0.11 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1kgq s ALA 46 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1kgq s ALA 46 CO 0.78 0.00 0.11 -2.00 0.00 0.00 0.00 175.76 174.66 1kgq s GLU 47 N -1.25 0.53 -0.17 0.00 2.12 -0.69 -4.94 118.70 114.30 1kgq s GLU 47 Ca -0.08 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 1kgq s GLU 47 Cb -0.08 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 1kgq s GLU 47 CO 0.00 -0.13 0.24 0.21 -0.54 0.00 0.00 175.26 175.05 1kgq s LYS 48 N -1.93 4.20 -0.03 4.30 2.20 -1.26 0.11 119.74 127.33 1kgq s LYS 48 Ca -0.11 0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1kgq s LYS 48 Cb -0.05 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1kgq s LYS 48 CO -0.01 0.28 0.06 0.42 -0.36 0.00 0.00 175.35 175.74 1kgq s ILE 49 N 0.35 -0.05 -1.38 5.43 -1.09 0.16 -4.79 121.20 119.83 1kgq s ILE 49 Ca 0.14 0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.62 1kgq s ILE 49 Cb -0.12 -0.12 0.08 0.00 -1.58 0.00 0.00 42.46 40.72 1kgq s ILE 49 CO 0.02 0.07 0.59 0.47 -1.23 0.00 0.00 174.94 174.86 1kgq n ASP 50 N 3.98 -3.99 -1.38 3.58 9.92 -1.26 -0.47 116.55 126.93 1kgq n ASP 50 Ca -0.25 -0.49 -0.13 0.00 -0.53 0.00 0.00 54.79 53.39 1kgq n ASP 50 Cb 0.52 -3.27 -0.01 0.00 -0.64 0.00 0.00 41.12 37.72 1kgq n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kgq n GLY 51 N -1.28 0.05 2.87 0.44 0.00 -1.26 -5.02 105.19 100.99 1kgq n GLY 51 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1kgq n GLY 51 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kgq s GLN 52 N -4.42 0.33 0.06 1.61 1.03 0.37 -5.13 119.66 113.53 1kgq s GLN 52 Ca 0.00 -0.02 -0.30 0.00 0.04 0.00 0.00 55.36 55.08 1kgq s GLN 52 Cb 0.00 -0.42 -0.05 0.00 0.03 0.00 0.00 33.01 32.58 1kgq s GLN 52 CO 0.00 -0.04 0.99 -1.58 -2.54 0.00 0.00 175.29 172.11 1kgq s TRP 53 N 0.54 3.72 -0.02 9.60 0.52 -1.26 0.35 118.94 132.39 1kgq s TRP 53 Ca -0.05 1.73 0.05 0.00 0.02 0.00 0.00 56.10 57.85 1kgq s TRP 53 Cb -0.09 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 1kgq s TRP 53 CO -0.01 0.01 -0.19 0.14 0.02 0.00 0.00 176.95 176.93 1kgq s VAL 54 N 0.51 1.49 -0.17 4.03 -7.23 0.31 -4.93 120.40 114.40 1kgq s VAL 54 Ca 0.50 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 1kgq s VAL 54 Cb -0.23 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1kgq s VAL 54 CO 0.29 0.42 0.36 -0.89 -0.31 0.00 0.00 175.10 174.97 1kgq s THR 55 N -0.34 5.25 -1.17 5.32 2.01 -1.26 -1.70 115.64 123.75 1kgq s THR 55 Ca 0.05 0.66 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 1kgq s THR 55 Cb -0.08 -3.70 0.17 0.00 0.01 0.00 0.00 72.50 68.90 1kgq s THR 55 CO -0.00 0.32 1.38 -1.00 -0.69 0.00 0.00 174.62 174.63 1kgq s HIS 56 N 0.86 3.47 0.40 4.92 3.76 -0.06 -4.91 115.29 123.73 1kgq s HIS 56 Ca 0.19 -2.05 0.22 0.00 -0.15 0.00 0.00 55.06 53.27 1kgq s HIS 56 Cb -0.14 -4.30 1.22 0.00 1.11 0.00 0.00 32.58 30.47 1kgq s HIS 56 CO 0.07 -1.40 1.69 1.96 -0.85 0.00 0.00 174.74 176.21 1kgq h GLN 57 N 7.37 0.25 0.00 1.40 1.08 -1.95 0.33 115.11 123.59 1kgq h GLN 57 Ca 0.29 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1kgq h GLN 57 Cb 0.89 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1kgq h GLN 57 CO 1.22 0.17 -0.06 0.11 -0.95 0.00 0.00 178.83 179.32 1kgq h TRP 58 N 0.26 0.00 0.09 2.96 5.08 -1.97 -0.46 115.95 121.91 1kgq h TRP 58 Ca 0.71 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.43 1kgq h TRP 58 Cb 1.95 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.11 1kgq h TRP 58 CO -0.01 0.06 -1.17 -0.07 -1.28 0.00 0.00 178.44 175.97 1kgq h LEU 59 N 0.00 0.35 -0.75 0.11 3.38 -0.71 -2.60 115.31 115.08 1kgq h LEU 59 Ca -0.00 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1kgq h LEU 59 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1kgq h LEU 59 CO 0.01 1.27 0.27 0.50 0.09 0.00 0.00 178.44 180.58 1kgq h LYS 60 N 0.07 1.15 -0.94 1.13 3.64 -1.33 -2.38 116.57 117.90 1kgq h LYS 60 Ca -0.11 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1kgq h LYS 60 Cb 1.90 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 33.49 1kgq h LYS 60 CO 0.19 0.95 0.62 0.87 -2.27 0.00 0.00 179.45 179.81 1kgq h LYS 61 N 1.10 1.25 -0.31 1.90 1.57 -1.09 -1.01 116.57 119.98 1kgq h LYS 61 Ca 0.25 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1kgq h LYS 61 Cb 0.25 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1kgq h LYS 61 CO -0.02 0.83 -0.26 0.00 -0.57 0.00 0.00 179.45 179.43 1kgq h ALA 62 N 1.34 0.97 0.09 3.86 0.00 -1.04 -1.18 119.26 123.29 1kgq h ALA 62 Ca 0.34 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kgq h ALA 62 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1kgq h ALA 62 CO -0.07 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.02 1kgq h VAL 63 N 0.54 0.99 -0.67 0.00 2.07 -0.90 -1.37 116.25 116.91 1kgq h VAL 63 Ca 0.07 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1kgq h VAL 63 Cb 0.73 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 1kgq h VAL 63 CO 0.06 0.07 0.21 -0.07 0.02 0.00 0.00 177.57 177.86 1kgq h LEU 64 N -0.24 0.14 -1.49 2.57 3.38 -1.08 -1.75 115.31 116.84 1kgq h LEU 64 Ca -0.01 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1kgq h LEU 64 Cb 0.20 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1kgq h LEU 64 CO 0.02 0.06 -0.20 -0.07 0.09 0.00 0.00 178.44 178.34 1kgq h LEU 65 N 0.35 0.00 -2.09 1.67 3.38 -0.77 -2.32 115.31 115.53 1kgq h LEU 65 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1kgq h LEU 65 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1kgq h LEU 65 CO -0.40 0.20 0.00 0.77 0.09 0.00 0.00 178.44 179.10 1kgq h SER 66 N 0.00 0.00 0.91 -0.43 4.64 -0.31 0.92 113.55 119.27 1kgq h SER 66 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kgq h SER 66 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1kgq h SER 66 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1kgq n PHE 67 N -4.40 0.48 -0.03 4.77 3.72 -0.87 -2.22 117.46 118.90 1kgq n PHE 67 Ca -0.03 0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.59 1kgq n PHE 67 Cb 0.09 -0.77 -0.17 0.00 -0.94 0.00 0.00 39.48 37.70 1kgq n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1kgq n ARG 68 N -1.91 0.67 -0.02 -1.08 5.12 0.25 -4.55 116.66 115.13 1kgq n ARG 68 Ca 0.04 -0.15 0.06 0.00 -1.93 0.00 0.00 57.85 55.87 1kgq n ARG 68 Cb 0.29 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 29.90 1kgq n ARG 68 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1kgq n ILE 69 N -2.38 0.37 -3.96 0.55 -6.64 -0.79 -2.30 119.36 104.20 1kgq n ILE 69 Ca -0.11 -0.59 -0.31 0.00 -1.77 0.00 0.00 62.75 59.97 1kgq n ILE 69 Cb 0.72 -0.14 -0.05 0.00 -1.44 0.00 0.00 39.64 38.73 1kgq n ILE 69 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 1kgq s ASN 70 N -4.81 6.10 0.15 7.28 0.01 -0.94 -4.37 114.94 118.37 1kgq s ASN 70 Ca -0.08 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.30 1kgq s ASN 70 Cb 0.12 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.92 1kgq s ASN 70 CO 0.88 0.18 0.18 -0.62 -1.51 0.00 0.00 177.10 176.21 1kgq s ASP 71 N -2.43 5.79 0.75 -1.22 2.15 -1.26 -4.77 116.67 115.68 1kgq s ASP 71 Ca 0.33 -0.02 -0.12 0.00 0.43 0.00 0.00 52.55 53.17 1kgq s ASP 71 Cb -0.13 -1.60 0.05 0.00 -0.30 0.00 0.00 42.92 40.94 1kgq s ASP 71 CO 0.26 0.07 1.10 0.20 -0.17 0.00 0.00 175.17 176.63 1kgq s ASN 72 N -3.08 4.56 0.00 -0.34 0.01 -1.26 -4.52 114.94 110.31 1kgq s ASN 72 Ca 0.32 1.91 -0.11 0.00 -0.71 0.00 0.00 52.86 54.27 1kgq s ASN 72 Cb -0.11 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1kgq s ASN 72 CO 0.25 -2.00 0.22 -1.59 -1.51 0.00 0.00 177.10 172.47 1kgq s LYS 73 N -4.63 0.59 0.10 -0.60 -2.85 -0.57 -4.89 119.74 106.87 1kgq s LYS 73 Ca 0.63 -0.34 -0.30 0.00 -1.00 0.00 0.00 55.97 54.96 1kgq s LYS 73 Cb -0.19 0.25 -0.06 0.00 -2.06 0.00 0.00 37.83 35.77 1kgq s LYS 73 CO 0.52 -0.15 1.19 0.08 0.10 0.00 0.00 175.35 177.08 1kgq s VAL 74 N -1.50 3.93 -0.14 1.79 1.01 -1.26 -2.50 120.40 121.73 1kgq s VAL 74 Ca -0.13 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1kgq s VAL 74 Cb -0.06 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1kgq s VAL 74 CO 0.02 0.15 -0.08 -0.04 0.00 0.00 0.00 175.10 175.16 1kgq s MET 75 N 0.66 3.51 -0.45 2.72 -1.94 0.21 -4.96 119.30 119.05 1kgq s MET 75 Ca 0.57 -0.59 -0.24 0.00 -1.71 0.00 0.00 55.69 53.72 1kgq s MET 75 Cb -0.30 -2.78 0.03 0.00 2.01 0.00 0.00 34.83 33.78 1kgq s MET 75 CO 0.31 0.25 0.81 0.34 -0.01 0.00 0.00 175.02 176.73 1kgq s ASP 76 N 0.29 6.44 0.84 3.03 -1.08 -1.26 -0.69 116.67 124.24 1kgq s ASP 76 Ca -0.06 -0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 51.87 1kgq s ASP 76 Cb -0.15 -2.40 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 1kgq s ASP 76 CO 0.04 -0.94 0.66 0.61 0.52 0.00 0.00 175.17 176.06 1kgq n GLY 77 N 4.95 -0.57 0.07 2.66 0.00 -0.48 -4.99 105.19 106.83 1kgq n GLY 77 Ca 0.03 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1kgq n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kgq h ALA 78 N -1.38 0.04 -0.01 4.61 0.00 -2.01 -3.40 119.26 117.12 1kgq h ALA 78 Ca -0.22 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1kgq h ALA 78 Cb 0.66 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kgq h ALA 78 CO 0.18 0.40 -0.30 -0.85 0.00 0.00 0.00 179.25 178.68 1kgq n GLU 79 N -4.62 0.88 -4.01 0.00 0.00 -1.26 -4.96 120.64 106.66 1kgq n GLU 79 Ca -0.10 -0.56 -0.14 0.00 0.00 0.00 0.00 57.16 56.37 1kgq n GLU 79 Cb 0.29 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.22 1kgq n GLU 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1kgq s THR 80 N -2.51 0.00 0.13 3.84 -1.32 -1.26 -5.19 115.64 109.34 1kgq s THR 80 Ca 0.23 -1.43 0.05 0.00 -1.21 0.00 0.00 61.69 59.32 1kgq s THR 80 Cb 0.19 -2.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1kgq s THR 80 CO 0.53 0.00 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.70 1kgq s ARG 81 N -2.68 1.00 0.18 7.08 0.52 -1.26 -1.38 118.95 122.41 1kgq s ARG 81 Ca 0.27 -1.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1kgq s ARG 81 Cb -0.02 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.76 1kgq s ARG 81 CO 0.19 0.09 -0.08 0.71 0.02 0.00 0.00 175.30 176.23 1kgq s TYR 82 N -2.93 1.42 -0.27 -0.53 2.02 0.14 -4.88 117.35 112.32 1kgq s TYR 82 Ca 0.13 -0.76 -0.03 0.00 -0.37 0.00 0.00 57.07 56.03 1kgq s TYR 82 Cb 0.00 -0.74 0.10 0.00 -0.40 0.00 0.00 41.96 40.92 1kgq s TYR 82 CO 0.01 0.10 0.16 -0.47 -1.57 0.00 0.00 175.55 173.78 1kgq s TYR 83 N -3.28 0.13 0.22 2.71 5.04 -1.26 0.64 117.35 121.55 1kgq s TYR 83 Ca 0.21 -0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 54.08 1kgq s TYR 83 Cb 0.03 -0.76 0.01 0.00 0.35 0.00 0.00 41.96 41.58 1kgq s TYR 83 CO 0.04 -0.79 0.50 0.34 -1.34 0.00 0.00 175.55 174.29 1kgq s ASP 84 N 2.17 -0.15 0.00 4.32 2.15 -1.04 -4.85 116.67 119.27 1kgq s ASP 84 Ca 0.08 -0.75 0.11 0.00 0.43 0.00 0.00 52.55 52.42 1kgq s ASP 84 Cb -0.16 0.58 0.25 0.00 -0.30 0.00 0.00 42.92 43.30 1kgq s ASP 84 CO -0.31 -1.11 1.15 2.29 -0.17 0.00 0.00 175.17 177.02 1kgq n LYS 85 N -0.36 2.23 -4.06 4.34 2.85 -1.26 -1.52 118.16 120.38 1kgq n LYS 85 Ca -0.05 -1.82 -0.33 0.00 -1.05 0.00 0.00 58.31 55.05 1kgq n LYS 85 Cb 0.62 -1.26 -0.15 0.00 -0.65 0.00 0.00 35.03 33.58 1kgq n LYS 85 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1kgq s VAL 86 N -0.99 2.39 0.91 0.58 1.01 -1.26 -4.82 120.40 118.22 1kgq s VAL 86 Ca 0.21 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1kgq s VAL 86 Cb 0.12 -2.10 0.14 0.00 0.00 0.00 0.00 36.38 34.54 1kgq s VAL 86 CO 0.16 0.41 1.14 -2.84 0.00 0.00 0.00 175.10 173.97 1kgq s PRO 87 N 1.30 1.06 -0.17 2.72 0.02 -1.26 -4.83 135.00 133.84 1kgq s PRO 87 Ca 0.03 1.54 -0.26 0.00 0.02 0.00 0.00 61.00 62.33 1kgq s PRO 87 Cb -0.14 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 1kgq s PRO 87 CO -0.09 -2.60 0.84 -1.64 -0.33 0.00 0.00 177.00 173.18 1kgq s MET 88 N -4.66 4.30 0.21 5.54 -1.94 -1.26 -1.25 119.30 120.23 1kgq s MET 88 Ca 0.67 1.04 -0.14 0.00 -1.71 0.00 0.00 55.69 55.54 1kgq s MET 88 Cb -0.23 -3.57 0.22 0.00 2.01 0.00 0.00 34.83 33.27 1kgq s MET 88 CO 0.58 -0.33 1.63 -0.22 -0.01 0.00 0.00 175.02 176.66 1kgq h LYS 89 N 7.32 -0.01 -0.07 2.03 3.64 -1.38 -2.85 116.57 125.26 1kgq h LYS 89 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1kgq h LYS 89 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1kgq h LYS 89 CO 0.84 -0.01 0.00 1.19 -2.27 0.00 0.00 179.45 179.20 1kgq n PHE 90 N -5.43 0.07 0.14 1.91 3.72 -1.26 -4.37 117.46 112.24 1kgq n PHE 90 Ca 0.07 -0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.58 1kgq n PHE 90 Cb 0.33 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.55 1kgq n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kgq h ALA 91 N 4.17 2.20 -0.01 4.37 0.00 -1.89 -2.43 119.26 125.67 1kgq h ALA 91 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kgq h ALA 91 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kgq h ALA 91 CO 0.00 -0.32 -0.64 -0.40 0.00 0.00 0.00 179.25 177.89 1kgq n ASP 92 N -4.39 1.31 -4.75 0.00 5.75 -1.26 -5.00 116.55 108.21 1kgq n ASP 92 Ca 0.03 -1.07 -0.36 0.00 -0.01 0.00 0.00 54.79 53.38 1kgq n ASP 92 Cb 0.35 0.59 0.04 0.00 -1.03 0.00 0.00 41.12 41.07 1kgq n ASP 92 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1kgq s TYR 93 N -2.74 2.34 0.39 2.11 1.51 -0.92 -5.06 117.35 114.97 1kgq s TYR 93 Ca 0.14 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.75 1kgq s TYR 93 Cb 0.17 -3.51 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 1kgq s TYR 93 CO 0.69 -2.31 0.08 0.16 -1.11 0.00 0.00 175.55 173.06 1kgq s ASP 94 N -1.59 2.84 0.39 2.29 -4.77 -1.26 -5.00 116.67 109.57 1kgq s ASP 94 Ca 0.78 -1.54 0.12 0.00 -3.30 0.00 0.00 52.55 48.61 1kgq s ASP 94 Cb -0.31 0.23 0.93 0.00 -1.09 0.00 0.00 42.92 42.68 1kgq s ASP 94 CO 0.34 -0.77 1.91 -0.08 0.70 0.00 0.00 175.17 177.27 1kgq h GLU 95 N 1.86 0.54 0.04 2.11 4.81 -1.99 -1.69 114.58 120.27 1kgq h GLU 95 Ca -0.39 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1kgq h GLU 95 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1kgq h GLU 95 CO 0.65 0.36 -0.02 0.00 -0.73 0.00 0.00 179.01 179.27 1kgq h ALA 96 N 1.62 -0.05 -0.67 2.92 0.00 -1.98 0.43 119.26 121.53 1kgq h ALA 96 Ca 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1kgq h ALA 96 Cb 0.73 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1kgq h ALA 96 CO -0.15 -0.51 0.13 -0.09 0.00 0.00 0.00 179.25 178.63 1kgq h ARG 97 N -0.08 1.09 -0.29 0.00 2.43 -1.82 0.31 114.38 116.02 1kgq h ARG 97 Ca -0.01 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1kgq h ARG 97 Cb 0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1kgq h ARG 97 CO 0.01 0.98 0.07 0.74 -1.51 0.00 0.00 179.97 180.26 1kgq h PHE 98 N 1.03 0.48 -0.35 2.20 0.04 -1.06 0.50 116.94 119.78 1kgq h PHE 98 Ca 0.21 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1kgq h PHE 98 Cb 0.40 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1kgq h PHE 98 CO 0.03 0.53 0.20 0.37 -0.60 0.00 0.00 178.31 178.83 1kgq h GLN 99 N 0.30 0.39 -0.57 1.51 4.15 0.29 0.70 115.11 121.89 1kgq h GLN 99 Ca 0.09 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1kgq h GLN 99 Cb 0.28 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1kgq h GLN 99 CO 0.00 0.26 0.28 -0.22 -1.93 0.00 0.00 178.83 177.22 1kgq h LYS 100 N 0.40 0.82 0.00 1.69 3.64 -0.16 -3.07 116.57 119.89 1kgq h LYS 100 Ca 0.14 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1kgq h LYS 100 Cb 0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1kgq h LYS 100 CO -0.07 0.67 -0.37 0.93 -2.27 0.00 0.00 179.45 178.34 1kgq h GLU 101 N 0.77 0.00 -1.70 1.90 5.08 0.70 -3.48 114.58 117.85 1kgq h GLU 101 Ca 0.20 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1kgq h GLU 101 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1kgq h GLU 101 CO -0.02 0.37 -0.27 0.41 -1.00 0.00 0.00 179.01 178.50 1kgq n GLY 102 N 0.05 -0.01 3.52 -3.84 0.00 0.18 -4.09 105.19 101.00 1kgq n GLY 102 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 1kgq n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kgq s PHE 103 N -2.59 1.98 -0.07 1.61 -0.12 -1.26 0.16 117.98 117.69 1kgq s PHE 103 Ca 0.04 -1.00 0.05 0.00 -0.05 0.00 0.00 56.93 55.97 1kgq s PHE 103 Cb -0.02 -1.35 -0.01 0.00 -0.63 0.00 0.00 43.02 41.01 1kgq s PHE 103 CO 0.05 0.01 -0.24 0.50 -0.05 0.00 0.00 175.22 175.49 1kgq s ARG 104 N -3.82 2.65 -0.31 1.99 3.52 0.16 -4.93 118.95 118.20 1kgq s ARG 104 Ca 0.30 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1kgq s ARG 104 Cb 0.07 -2.21 0.09 0.00 -1.56 0.00 0.00 34.95 31.33 1kgq s ARG 104 CO 0.14 0.36 0.01 0.08 -0.81 0.00 0.00 175.30 175.08 1kgq s VAL 105 N -0.10 1.99 -0.18 7.11 1.01 -1.26 -0.22 120.40 128.74 1kgq s VAL 105 Ca -0.05 -1.94 -0.25 0.00 0.00 0.00 0.00 61.98 59.73 1kgq s VAL 105 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1kgq s VAL 105 CO 0.04 -0.43 0.85 -0.69 0.00 0.00 0.00 175.10 174.87 1kgq s VAL 106 N 1.09 4.86 0.30 2.92 1.01 -0.29 -4.89 120.40 125.41 1kgq s VAL 106 Ca 0.05 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 1kgq s VAL 106 Cb -0.19 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 1kgq s VAL 106 CO -0.09 -0.00 1.51 -2.84 0.00 0.00 0.00 175.10 173.67 1kgq s PRO 107 N 2.32 4.17 -0.63 2.72 0.02 -1.26 0.81 135.00 143.16 1kgq s PRO 107 Ca 0.38 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1kgq s PRO 107 Cb -0.16 -3.04 0.42 0.00 0.02 0.00 0.00 34.50 31.74 1kgq s PRO 107 CO 0.11 -0.52 1.80 -0.35 -0.33 0.00 0.00 177.00 177.71 1kgq n PRO 108 N 1.73 2.94 -1.48 5.54 -0.04 -1.26 -4.69 135.00 137.73 1kgq n PRO 108 Ca 0.06 -3.63 -0.44 0.00 -0.04 0.00 0.00 63.50 59.45 1kgq n PRO 108 Cb 0.39 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.56 1kgq n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kgq n ALA 109 N -0.74 -1.40 -2.81 0.55 0.00 0.24 -4.68 120.51 111.67 1kgq n ALA 109 Ca 0.55 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 54.13 1kgq n ALA 109 Cb 0.60 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 1kgq n ALA 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kgq s THR 110 N -1.27 0.22 -0.02 0.00 2.01 -0.48 -4.88 115.64 111.23 1kgq s THR 110 Ca 0.62 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1kgq s THR 110 Cb -0.69 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1kgq s THR 110 CO 0.58 0.06 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 1kgq s VAL 111 N -0.08 0.25 0.51 3.82 1.01 -1.26 -2.06 120.40 122.59 1kgq s VAL 111 Ca 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1kgq s VAL 111 Cb -0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1kgq s VAL 111 CO -0.00 0.13 1.00 -0.13 0.00 0.00 0.00 175.10 176.10 1kgq s ARG 112 N 0.61 3.87 0.44 2.72 0.52 -0.62 -1.27 118.95 125.22 1kgq s ARG 112 Ca -0.06 1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 56.00 1kgq s ARG 112 Cb -0.09 -2.12 -0.08 0.00 0.52 0.00 0.00 34.95 33.18 1kgq s ARG 112 CO -0.01 -0.34 1.23 -1.14 0.02 0.00 0.00 175.30 175.06 1kgq s GLN 113 N -3.75 3.82 0.00 3.54 0.74 -0.38 -3.00 119.66 120.62 1kgq s GLN 113 Ca 0.62 1.97 0.00 0.00 0.05 0.00 0.00 55.36 58.00 1kgq s GLN 113 Cb -0.12 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1kgq s GLN 113 CO 0.27 -0.56 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 1kgq n GLY 114 N 0.60 0.95 3.37 2.59 0.00 -1.26 -4.60 105.19 106.84 1kgq n GLY 114 Ca 0.06 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1kgq n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kgq s ALA 115 N -2.00 2.34 -0.25 4.61 0.00 -1.16 0.11 121.76 125.42 1kgq s ALA 115 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1kgq s ALA 115 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1kgq s ALA 115 CO 0.00 0.54 0.16 0.12 0.00 0.00 0.00 175.76 176.58 1kgq s PHE 116 N -0.75 3.27 -0.22 0.00 5.36 0.18 -4.60 117.98 121.21 1kgq s PHE 116 Ca 0.12 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.20 1kgq s PHE 116 Cb -0.10 -2.29 -0.00 0.00 -0.34 0.00 0.00 43.02 40.29 1kgq s PHE 116 CO 0.01 -0.02 -0.05 0.42 -1.46 0.00 0.00 175.22 174.13 1kgq s ILE 117 N 1.25 3.28 0.65 3.12 -1.09 -1.26 0.08 121.20 127.22 1kgq s ILE 117 Ca 0.07 -0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 1kgq s ILE 117 Cb -0.14 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 1kgq s ILE 117 CO 0.06 0.39 1.04 0.00 -1.23 0.00 0.00 174.94 175.20 1kgq s ALA 118 N 1.46 3.04 0.61 9.38 0.00 -0.11 -5.00 121.76 131.14 1kgq s ALA 118 Ca 0.05 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 1kgq s ALA 118 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1kgq s ALA 118 CO -0.04 -0.88 0.93 -2.13 0.00 0.00 0.00 175.76 173.65 1kgq n ARG 119 N -2.83 0.82 -2.06 0.00 0.63 -1.26 -3.37 116.66 108.59 1kgq n ARG 119 Ca 0.06 0.32 -0.16 0.00 -0.92 0.00 0.00 57.85 57.15 1kgq n ARG 119 Cb 0.56 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 31.30 1kgq n ARG 119 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1kgq n ASN 120 N -0.78 -4.90 -4.83 6.15 4.05 0.43 -3.04 115.26 112.34 1kgq n ASN 120 Ca 0.14 0.11 -0.22 0.00 0.45 0.00 0.00 54.58 55.06 1kgq n ASN 120 Cb 0.48 -3.96 -0.04 0.00 1.23 0.00 0.00 39.78 37.49 1kgq n ASN 120 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1kgq s THR 121 N -2.76 3.76 -0.11 -0.44 -4.23 -1.22 -2.35 115.64 108.30 1kgq s THR 121 Ca 0.00 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1kgq s THR 121 Cb 0.00 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.64 1kgq s THR 121 CO 0.00 -0.23 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.06 1kgq s VAL 122 N -2.26 1.11 -0.39 2.29 1.01 -0.73 -0.67 120.40 120.75 1kgq s VAL 122 Ca 0.38 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1kgq s VAL 122 Cb -0.06 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.27 1kgq s VAL 122 CO 0.25 0.38 0.22 -0.76 0.00 0.00 0.00 175.10 175.19 1kgq s LEU 123 N 1.49 4.88 0.00 3.92 1.43 0.69 -1.83 118.68 129.25 1kgq s LEU 123 Ca 0.01 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 51.75 1kgq s LEU 123 Cb -0.13 -1.99 0.19 0.00 0.03 0.00 0.00 46.19 44.28 1kgq s LEU 123 CO -0.06 -0.45 0.77 0.23 0.23 0.00 0.00 176.35 177.07 1kgq n MET 124 N 4.95 -1.97 -1.82 1.70 2.81 0.11 -1.14 117.12 121.76 1kgq n MET 124 Ca -0.11 -1.22 -0.42 0.00 -1.81 0.00 0.00 57.70 54.14 1kgq n MET 124 Cb 0.44 -1.04 -0.03 0.00 -0.71 0.00 0.00 33.22 31.89 1kgq n MET 124 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1kgq s PRO 125 N -4.73 4.16 0.05 0.03 0.02 -1.25 -4.49 135.00 128.79 1kgq s PRO 125 Ca 0.48 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 63.82 1kgq s PRO 125 Cb -0.04 -4.01 0.04 0.00 0.02 0.00 0.00 34.50 30.51 1kgq s PRO 125 CO 0.36 -0.89 0.50 -1.13 -0.33 0.00 0.00 177.00 175.52 1kgq n SER 126 N 7.11 -0.71 -3.94 2.53 3.41 -1.26 0.92 113.62 121.67 1kgq n SER 126 Ca 0.18 -1.32 -0.21 0.00 -0.26 0.00 0.00 58.87 57.26 1kgq n SER 126 Cb 0.41 1.15 -0.16 0.00 -0.26 0.00 0.00 64.21 65.35 1kgq n SER 126 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1kgq s TYR 127 N -3.72 0.96 -0.17 7.33 5.04 -1.01 -1.38 117.35 124.41 1kgq s TYR 127 Ca 0.11 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1kgq s TYR 127 Cb -0.01 -0.77 0.03 0.00 0.35 0.00 0.00 41.96 41.57 1kgq s TYR 127 CO 0.02 -0.20 -0.11 0.08 -1.34 0.00 0.00 175.55 174.00 1kgq s VAL 128 N 0.73 1.49 0.49 3.14 1.01 -0.87 -0.64 120.40 125.75 1kgq s VAL 128 Ca -0.11 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1kgq s VAL 128 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1kgq s VAL 128 CO 0.01 0.28 0.81 0.21 0.00 0.00 0.00 175.10 176.41 1kgq s ASN 129 N 1.49 6.27 0.15 3.32 3.84 -0.72 -1.60 114.94 127.70 1kgq s ASN 129 Ca 0.02 0.98 -0.33 0.00 0.21 0.00 0.00 52.86 53.74 1kgq s ASN 129 Cb -0.15 -2.27 -0.17 0.00 -0.55 0.00 0.00 41.25 38.12 1kgq s ASN 129 CO -0.09 -0.59 1.03 0.00 -2.79 0.00 0.00 177.10 174.65 1kgq n ILE 130 N -2.26 0.98 -0.82 -5.21 3.06 -1.26 -1.94 119.36 111.90 1kgq n ILE 130 Ca 0.01 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 1kgq n ILE 130 Cb 0.55 -0.55 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1kgq n ILE 130 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1kgq n GLY 131 N 1.88 1.18 3.87 4.50 0.00 0.31 -2.21 105.19 114.72 1kgq n GLY 131 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1kgq n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kgq s ALA 132 N -3.76 3.03 -0.10 4.61 0.00 -0.82 -3.55 121.76 121.17 1kgq s ALA 132 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1kgq s ALA 132 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1kgq s ALA 132 CO 0.00 -0.80 -0.05 -0.47 0.00 0.00 0.00 175.76 174.43 1kgq s TYR 133 N -3.19 1.23 -0.24 0.00 6.14 -0.69 0.50 117.35 121.11 1kgq s TYR 133 Ca 0.56 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1kgq s TYR 133 Cb -0.11 -1.10 0.03 0.00 0.42 0.00 0.00 41.96 41.20 1kgq s TYR 133 CO 0.54 -0.45 -0.11 0.08 0.64 0.00 0.00 175.55 176.25 1kgq s VAL 134 N 1.78 2.50 0.82 3.14 1.01 0.11 -1.24 120.40 128.53 1kgq s VAL 134 Ca 0.05 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1kgq s VAL 134 Cb -0.12 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.08 1kgq s VAL 134 CO -0.07 0.21 1.18 -0.62 0.00 0.00 0.00 175.10 175.80 1kgq s ASP 135 N 1.26 4.23 0.25 3.32 -1.08 -0.74 -0.94 116.67 122.98 1kgq s ASP 135 Ca -0.01 0.57 -0.30 0.00 -0.52 0.00 0.00 52.55 52.28 1kgq s ASP 135 Cb -0.17 -0.98 -0.14 0.00 -1.46 0.00 0.00 42.92 40.18 1kgq s ASP 135 CO -0.07 -2.04 1.20 -0.62 0.52 0.00 0.00 175.17 174.16 1kgq n GLU 136 N -3.34 1.60 -0.96 4.34 1.02 -1.26 -2.96 120.64 119.08 1kgq n GLU 136 Ca 0.10 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1kgq n GLU 136 Cb 0.61 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1kgq n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kgq n GLY 137 N 1.62 0.35 3.81 0.62 0.00 -0.99 0.90 105.19 111.51 1kgq n GLY 137 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1kgq n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kgq s THR 138 N -1.81 4.44 -0.08 2.61 2.01 -1.16 -4.03 115.64 117.63 1kgq s THR 138 Ca 0.00 1.43 0.04 0.00 0.31 0.00 0.00 61.69 63.47 1kgq s THR 138 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1kgq s THR 138 CO 0.00 -0.02 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.39 1kgq s MET 139 N -2.49 2.80 -0.38 4.92 1.75 -0.14 -1.78 119.30 123.98 1kgq s MET 139 Ca 0.52 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 54.11 1kgq s MET 139 Cb -0.14 -2.33 0.08 0.00 2.84 0.00 0.00 34.83 35.28 1kgq s MET 139 CO 0.19 0.37 0.15 0.08 -0.65 0.00 0.00 175.02 175.16 1kgq s VAL 140 N -0.09 3.44 0.90 10.11 1.01 -0.76 -1.40 120.40 133.61 1kgq s VAL 140 Ca -0.04 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.14 1kgq s VAL 140 Cb -0.14 -3.18 0.13 0.00 0.00 0.00 0.00 36.38 33.20 1kgq s VAL 140 CO 0.04 -0.46 1.17 -0.62 0.00 0.00 0.00 175.10 175.24 1kgq s ASP 141 N 1.70 3.65 0.04 3.32 -1.08 -0.48 0.10 116.67 123.92 1kgq s ASP 141 Ca 0.03 0.79 -0.37 0.00 -0.52 0.00 0.00 52.55 52.48 1kgq s ASP 141 Cb -0.22 -1.25 -0.17 0.00 -1.46 0.00 0.00 42.92 39.82 1kgq s ASP 141 CO -0.02 -2.45 1.39 0.41 0.52 0.00 0.00 175.17 175.03 1kgq n THR 142 N -3.67 0.04 -1.81 1.71 -1.04 -1.26 -1.99 114.28 106.26 1kgq n THR 142 Ca 0.08 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.89 1kgq n THR 142 Cb 0.60 -0.88 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 1kgq n THR 142 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1kgq n TRP 143 N 2.89 -0.28 -2.37 -1.42 5.03 0.26 -0.86 117.44 120.69 1kgq n TRP 143 Ca 0.19 0.00 -0.26 0.00 3.03 0.00 0.00 57.50 60.46 1kgq n TRP 143 Cb 0.19 -3.48 0.04 0.00 -1.03 0.00 0.00 31.31 27.03 1kgq n TRP 143 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1kgq s ALA 144 N -2.81 3.30 -0.03 6.99 0.00 -0.84 -3.64 121.76 124.73 1kgq s ALA 144 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1kgq s ALA 144 Cb 0.00 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1kgq s ALA 144 CO 0.00 -0.88 0.02 0.99 0.00 0.00 0.00 175.76 175.88 1kgq s THR 145 N -3.03 0.04 -0.45 0.00 2.01 0.68 -2.40 115.64 112.50 1kgq s THR 145 Ca 0.55 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 1kgq s THR 145 Cb -0.11 -0.17 0.08 0.00 0.01 0.00 0.00 72.50 72.32 1kgq s THR 145 CO 0.45 0.12 0.32 -0.69 -0.69 0.00 0.00 174.62 174.13 1kgq s VAL 146 N 1.13 4.58 1.11 3.82 1.01 0.19 -1.22 120.40 131.02 1kgq s VAL 146 Ca -0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 61.98 60.42 1kgq s VAL 146 Cb -0.13 -3.81 0.23 0.00 0.00 0.00 0.00 36.38 32.67 1kgq s VAL 146 CO -0.03 -0.58 0.91 0.61 0.00 0.00 0.00 175.10 176.02 1kgq n GLY 147 N 5.02 -1.73 3.67 4.51 0.00 -0.11 -1.75 105.19 114.79 1kgq n GLY 147 Ca -0.11 -1.02 -0.46 0.00 0.00 0.00 0.00 46.02 44.43 1kgq n GLY 147 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kgq n SER 148 N -4.32 2.95 0.00 1.61 3.41 -1.26 -2.34 113.62 113.66 1kgq n SER 148 Ca 0.05 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1kgq n SER 148 Cb 0.54 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1kgq n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kgq s ALA 150 N -1.43 2.64 -0.22 0.00 0.00 -0.99 -4.61 121.76 117.16 1kgq s ALA 150 Ca 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 1kgq s ALA 150 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1kgq s ALA 150 CO 0.00 -0.89 -0.12 -0.65 0.00 0.00 0.00 175.76 174.10 1kgq s GLN 151 N -3.40 2.86 -0.18 0.00 -1.52 -0.60 -1.71 119.66 115.10 1kgq s GLN 151 Ca 0.72 -0.94 -0.03 0.00 -1.95 0.00 0.00 55.36 53.16 1kgq s GLN 151 Cb -0.24 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1kgq s GLN 151 CO 0.30 -0.33 -0.04 0.42 -0.25 0.00 0.00 175.29 175.38 1kgq s ILE 152 N 1.29 3.59 0.31 1.08 -1.09 -0.37 -0.60 121.20 125.40 1kgq s ILE 152 Ca 0.01 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 1kgq s ILE 152 Cb -0.15 -2.60 0.08 0.00 -1.58 0.00 0.00 42.46 38.21 1kgq s ILE 152 CO -0.08 0.46 0.27 0.61 -1.23 0.00 0.00 174.94 174.97 1kgq n GLY 153 N 4.14 -2.58 3.84 6.18 0.00 0.32 -1.78 105.19 115.31 1kgq n GLY 153 Ca -0.18 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1kgq n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kgq s LYS 154 N -3.61 4.07 -1.46 1.61 1.02 -1.26 -3.65 119.74 116.45 1kgq s LYS 154 Ca 0.18 0.89 -0.10 0.00 0.02 0.00 0.00 55.97 56.96 1kgq s LYS 154 Cb -0.02 -2.27 0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1kgq s LYS 154 CO 0.14 -0.01 0.91 0.09 -0.92 0.00 0.00 175.35 175.55 1kgq n ASN 155 N -0.77 -3.81 -4.85 2.83 3.02 0.26 -0.98 115.26 110.96 1kgq n ASN 155 Ca 0.05 -0.78 -0.30 0.00 -0.03 0.00 0.00 54.58 53.53 1kgq n ASN 155 Cb 0.54 -3.97 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 1kgq n ASN 155 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kgq s VAL 156 N -3.41 4.93 -0.28 2.41 1.01 -1.26 -3.54 120.40 120.25 1kgq s VAL 156 Ca 0.47 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1kgq s VAL 156 Cb -0.23 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1kgq s VAL 156 CO 0.82 0.07 -0.06 -2.28 0.00 0.00 0.00 175.10 173.66 1kgq s HIS 157 N -1.53 3.40 -0.43 5.22 2.46 -0.69 -0.97 115.29 122.75 1kgq s HIS 157 Ca 0.32 -2.47 -0.19 0.00 0.47 0.00 0.00 55.06 53.20 1kgq s HIS 157 Cb -0.12 -2.21 0.02 0.00 -0.13 0.00 0.00 32.58 30.14 1kgq s HIS 157 CO 0.25 -0.89 0.54 -0.51 -2.47 0.00 0.00 174.74 171.65 1kgq s LEU 158 N 1.06 4.71 0.00 8.88 1.43 -0.49 -0.40 118.68 133.87 1kgq s LEU 158 Ca -0.04 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1kgq s LEU 158 Cb -0.20 -2.54 0.22 0.00 0.03 0.00 0.00 46.19 43.70 1kgq s LEU 158 CO -0.05 -0.68 0.77 -1.20 0.23 0.00 0.00 176.35 175.41 1kgq n SER 159 N 5.92 -1.78 -4.77 2.29 7.64 0.02 -1.38 113.62 121.55 1kgq n SER 159 Ca -0.05 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.46 1kgq n SER 159 Cb 0.47 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1kgq n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kgq s GLY 160 N -3.89 2.95 -1.61 0.23 0.00 -1.26 -2.86 107.32 100.88 1kgq s GLY 160 Ca 0.50 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1kgq s GLY 160 CO 0.38 2.15 0.00 0.61 0.00 0.00 0.00 173.10 176.25 1kgq n GLY 161 N 0.54 0.93 3.83 0.20 0.00 -0.04 -0.85 105.19 109.79 1kgq n GLY 161 Ca 0.02 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1kgq n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgq s VAL 162 N -2.68 4.76 -0.10 1.61 1.01 -1.13 -3.56 120.40 120.31 1kgq s VAL 162 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1kgq s VAL 162 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1kgq s VAL 162 CO 0.00 0.36 -0.19 -0.83 0.00 0.00 0.00 175.10 174.44 1kgq s GLY 163 N -1.47 1.15 -0.25 4.51 0.00 -0.81 -0.23 107.32 110.23 1kgq s GLY 163 Ca 0.35 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 1kgq s GLY 163 CO 0.19 -0.09 -0.00 -0.42 0.00 0.00 0.00 173.10 172.78 1kgq s ILE 164 N 0.58 3.51 0.38 0.90 -1.09 -0.35 -1.19 121.20 123.94 1kgq s ILE 164 Ca -0.15 -0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 57.39 1kgq s ILE 164 Cb -0.17 -2.71 -0.12 0.00 -1.58 0.00 0.00 42.46 37.88 1kgq s ILE 164 CO 0.05 0.27 0.80 0.61 -1.23 0.00 0.00 174.94 175.44 1kgq n GLY 165 N 4.80 -0.80 0.00 6.18 0.00 0.32 -0.94 105.19 114.75 1kgq n GLY 165 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1kgq n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kgq n GLY 166 N 1.47 1.61 0.00 -0.02 0.00 -1.26 -4.23 105.19 102.76 1kgq n GLY 166 Ca 0.11 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1kgq n GLY 166 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kgq n VAL 167 N -0.32 0.12 -0.04 1.61 0.24 -1.20 -4.75 118.33 114.00 1kgq n VAL 167 Ca 0.00 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 61.84 1kgq n VAL 167 Cb 0.00 1.36 -0.13 0.00 -1.47 0.00 0.00 33.84 33.60 1kgq n VAL 167 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1kgq h LEU 168 N 0.00 0.23 -6.40 1.34 3.38 -1.92 -2.16 115.31 109.78 1kgq h LEU 168 Ca 0.00 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.28 1kgq h LEU 168 Cb 0.48 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 40.94 1kgq h LEU 168 CO 0.00 1.62 -0.25 -0.70 0.09 0.00 0.00 178.44 179.20 1kgq s GLU 169 N -2.45 0.54 0.68 1.13 2.12 -1.26 -3.36 118.70 116.10 1kgq s GLU 169 Ca -0.24 1.11 -0.16 0.00 0.36 0.00 0.00 54.97 56.04 1kgq s GLU 169 Cb 0.05 0.57 0.01 0.00 0.26 0.00 0.00 34.13 35.02 1kgq s GLU 169 CO 0.69 -0.47 1.18 -2.14 -0.54 0.00 0.00 175.26 173.98 1kgq s PRO 170 N 2.84 2.51 0.27 4.30 0.02 -1.26 -4.99 135.00 138.69 1kgq s PRO 170 Ca 0.11 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 1kgq s PRO 170 Cb -0.14 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 1kgq s PRO 170 CO -0.20 -1.53 1.53 -1.17 -0.33 0.00 0.00 177.00 175.31 1kgq s LEU 171 N -4.83 4.36 0.09 -5.54 2.96 -1.21 -4.60 118.68 109.91 1kgq s LEU 171 Ca 0.73 2.83 0.08 0.00 -0.22 0.00 0.00 54.13 57.55 1kgq s LEU 171 Cb -0.27 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.76 1kgq s LEU 171 CO 0.41 -0.83 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.31 1kgq s GLN 172 N -0.42 1.12 -0.02 1.98 -1.52 -0.81 -4.96 119.66 115.03 1kgq s GLN 172 Ca 0.62 -1.13 -0.24 0.00 -1.95 0.00 0.00 55.36 52.67 1kgq s GLN 172 Cb -0.45 -1.35 -0.17 0.00 -0.22 0.00 0.00 33.01 30.81 1kgq s GLN 172 CO 0.46 0.32 1.10 0.00 -0.25 0.00 0.00 175.29 176.92 1kgq h ALA 173 N 4.16 -0.26 -3.95 6.09 0.00 -1.95 -3.46 119.26 119.89 1kgq h ALA 173 Ca -0.45 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 53.63 1kgq h ALA 173 Cb 1.18 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 1kgq h ALA 173 CO 0.40 -0.41 -0.85 -0.80 0.00 0.00 0.00 179.25 177.59 1kgq s ASN 174 N -5.34 2.78 0.96 0.00 0.01 -1.26 -5.02 114.94 107.07 1kgq s ASN 174 Ca -0.14 -0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 51.26 1kgq s ASN 174 Cb 0.01 -0.20 0.17 0.00 0.41 0.00 0.00 41.25 41.64 1kgq s ASN 174 CO 0.54 0.15 1.09 -2.84 -1.51 0.00 0.00 177.10 174.53 1kgq s PRO 175 N -1.60 0.75 0.08 -0.60 0.02 -1.26 -3.57 135.00 128.82 1kgq s PRO 175 Ca 0.09 0.66 -0.14 0.00 0.02 0.00 0.00 61.00 61.64 1kgq s PRO 175 Cb -0.10 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 1kgq s PRO 175 CO 0.03 -2.55 0.47 0.99 -0.33 0.00 0.00 177.00 175.61 1kgq s THR 176 N -2.94 4.96 -0.04 0.99 2.01 -1.26 -4.02 115.64 115.33 1kgq s THR 176 Ca 0.65 0.75 0.02 0.00 0.31 0.00 0.00 61.69 63.42 1kgq s THR 176 Cb -0.18 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1kgq s THR 176 CO 0.57 0.37 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.15 1kgq s ILE 177 N -1.32 0.84 -0.19 1.82 1.01 -1.05 -1.55 121.20 120.76 1kgq s ILE 177 Ca 0.32 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1kgq s ILE 177 Cb -0.16 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.56 1kgq s ILE 177 CO 0.17 0.28 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 1kgq s ILE 178 N 0.51 2.00 1.09 2.92 -1.09 0.23 -1.92 121.20 124.94 1kgq s ILE 178 Ca -0.09 -1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 57.10 1kgq s ILE 178 Cb -0.12 -1.89 0.26 0.00 -1.58 0.00 0.00 42.46 39.13 1kgq s ILE 178 CO 0.01 0.40 1.27 -0.62 -1.23 0.00 0.00 174.94 174.77 1kgq n GLU 179 N 4.61 -2.01 -1.60 2.79 1.02 0.18 -0.52 120.64 125.11 1kgq n GLU 179 Ca -0.19 -1.98 -0.37 0.00 -0.02 0.00 0.00 57.16 54.60 1kgq n GLU 179 Cb 0.48 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1kgq n GLU 179 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1kgq n ASP 180 N -4.25 1.02 -2.49 1.62 8.00 -1.26 -3.60 116.55 115.58 1kgq n ASP 180 Ca 0.16 0.78 -0.18 0.00 0.71 0.00 0.00 54.79 56.26 1kgq n ASP 180 Cb 0.59 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1kgq n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kgq n ASN 181 N -1.25 -5.21 -4.96 -2.24 3.02 -0.15 -0.97 115.26 103.50 1kgq n ASN 181 Ca 0.14 0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.48 1kgq n ASN 181 Cb 0.48 -4.35 -0.02 0.00 -0.61 0.00 0.00 39.78 35.28 1kgq n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kgq s PHE 183 N -1.96 1.81 -0.26 0.00 5.36 -0.46 -1.70 117.98 120.77 1kgq s PHE 183 Ca 0.35 -0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 55.41 1kgq s PHE 183 Cb -0.10 -1.35 0.01 0.00 -0.34 0.00 0.00 43.02 41.24 1kgq s PHE 183 CO 0.30 -0.48 0.01 0.42 -1.46 0.00 0.00 175.22 174.01 1kgq s ILE 184 N 1.18 3.54 0.75 3.12 -1.09 0.47 -0.84 121.20 128.33 1kgq s ILE 184 Ca -0.03 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.55 1kgq s ILE 184 Cb -0.14 -2.76 0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1kgq s ILE 184 CO -0.04 0.21 1.16 -0.83 -1.23 0.00 0.00 174.94 174.21 1kgq s GLY 185 N 1.45 2.10 0.24 6.18 0.00 0.81 -0.80 107.32 117.31 1kgq s GLY 185 Ca 0.03 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.12 1kgq s GLY 185 CO -0.01 1.05 0.99 0.00 0.00 0.00 0.00 173.10 175.14 1kgq n ALA 186 N -2.98 -0.74 -1.91 3.20 0.00 -1.26 -2.55 120.51 114.27 1kgq n ALA 186 Ca 0.12 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 1kgq n ALA 186 Cb 0.51 -1.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 1kgq n ALA 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kgq n ARG 187 N 1.06 -1.63 -2.66 0.00 5.12 -0.03 -1.53 116.66 116.99 1kgq n ARG 187 Ca 0.12 0.91 -0.23 0.00 -1.93 0.00 0.00 57.85 56.73 1kgq n ARG 187 Cb 0.29 -5.37 0.03 0.00 -1.16 0.00 0.00 32.46 26.25 1kgq n ARG 187 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1kgq s SER 188 N -2.25 5.44 -0.02 0.55 0.01 -1.06 -4.08 113.70 112.29 1kgq s SER 188 Ca 0.00 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 1kgq s SER 188 Cb 0.00 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 65.00 1kgq s SER 188 CO 0.00 -1.05 0.04 -0.70 0.41 0.00 0.00 173.24 171.94 1kgq s GLU 189 N -4.79 0.01 -0.12 12.44 2.56 0.25 -1.93 118.70 127.12 1kgq s GLU 189 Ca 0.54 0.11 -0.00 0.00 0.00 0.00 0.00 54.97 55.62 1kgq s GLU 189 Cb -0.10 -0.09 0.03 0.00 2.00 0.00 0.00 34.13 35.96 1kgq s GLU 189 CO 0.40 -0.07 -0.07 0.08 -0.56 0.00 0.00 175.26 175.04 1kgq s VAL 190 N 0.47 1.01 0.32 3.70 1.01 -0.34 -0.54 120.40 126.03 1kgq s VAL 190 Ca -0.04 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1kgq s VAL 190 Cb -0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1kgq s VAL 190 CO -0.01 0.32 0.27 0.68 0.00 0.00 0.00 175.10 176.36 1kgq s VAL 191 N 1.71 0.01 -1.48 2.92 -7.23 -0.66 0.12 120.40 115.79 1kgq s VAL 191 Ca 0.04 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1kgq s VAL 191 Cb -0.13 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1kgq s VAL 191 CO -0.08 0.00 0.72 -0.62 -0.31 0.00 0.00 175.10 174.81 1kgq n GLU 192 N -0.61 -5.24 -1.75 4.82 1.02 -1.26 -2.56 120.64 115.06 1kgq n GLU 192 Ca 0.07 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.91 1kgq n GLU 192 Cb 0.63 -5.68 -0.02 0.00 -0.02 0.00 0.00 31.44 26.34 1kgq n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kgq n GLY 193 N -1.57 0.54 3.78 0.62 0.00 -1.23 -4.59 105.19 102.73 1kgq n GLY 193 Ca -0.06 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1kgq n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgq s VAL 194 N -2.44 3.38 -0.17 1.61 1.01 -1.06 -4.78 120.40 117.96 1kgq s VAL 194 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1kgq s VAL 194 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1kgq s VAL 194 CO 0.00 -0.07 -0.12 -0.63 0.00 0.00 0.00 175.10 174.28 1kgq s ILE 195 N -1.68 2.89 -0.42 2.22 1.01 -0.12 -2.53 121.20 122.57 1kgq s ILE 195 Ca 0.64 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 1kgq s ILE 195 Cb -0.24 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.01 1kgq s ILE 195 CO 0.29 0.49 0.31 -0.69 0.00 0.00 0.00 174.94 175.34 1kgq s VAL 196 N 0.98 5.12 0.55 2.92 1.01 -0.81 -0.35 120.40 129.82 1kgq s VAL 196 Ca -0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 1kgq s VAL 196 Cb -0.15 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1kgq s VAL 196 CO -0.02 -0.37 1.14 -1.61 0.00 0.00 0.00 175.10 174.25 1kgq s GLU 197 N 1.64 3.31 0.38 2.72 2.02 -0.37 -0.64 118.70 127.75 1kgq s GLU 197 Ca 0.04 1.64 -0.23 0.00 0.02 0.00 0.00 54.97 56.43 1kgq s GLU 197 Cb -0.20 -2.00 -0.14 0.00 0.10 0.00 0.00 34.13 31.89 1kgq s GLU 197 CO 0.09 -0.89 0.51 -0.85 0.02 0.00 0.00 175.26 174.14 1kgq n GLU 198 N -1.34 0.48 -1.41 1.61 0.28 -1.26 -2.79 120.64 116.21 1kgq n GLU 198 Ca 0.12 0.17 -0.13 0.00 -0.16 0.00 0.00 57.16 57.16 1kgq n GLU 198 Cb 0.51 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.93 1kgq n GLU 198 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kgq n GLY 199 N 1.85 1.34 3.91 -1.84 0.00 -0.14 -1.97 105.19 108.33 1kgq n GLY 199 Ca 0.12 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1kgq n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kgq s SER 200 N -2.85 6.39 -0.21 1.61 0.01 -1.12 -3.65 113.70 113.89 1kgq s SER 200 Ca 0.00 0.72 0.01 0.00 1.31 0.00 0.00 55.95 57.99 1kgq s SER 200 Cb 0.00 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 64.13 1kgq s SER 200 CO 0.00 -0.29 -0.10 -0.69 0.41 0.00 0.00 173.24 172.57 1kgq s VAL 201 N -2.25 1.72 -0.21 3.43 1.01 0.15 -1.35 120.40 122.91 1kgq s VAL 201 Ca 0.44 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1kgq s VAL 201 Cb -0.10 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1kgq s VAL 201 CO 0.33 0.14 0.14 -0.63 0.00 0.00 0.00 175.10 175.08 1kgq s ILE 202 N 1.35 5.39 0.34 2.22 -1.09 -0.02 -0.74 121.20 128.67 1kgq s ILE 202 Ca -0.02 0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 1kgq s ILE 202 Cb -0.17 -3.47 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 1kgq s ILE 202 CO -0.08 0.42 0.35 -0.24 -1.23 0.00 0.00 174.94 174.16 1kgq n SER 203 N 3.69 -0.92 -4.79 3.58 2.88 0.21 -0.13 113.62 118.13 1kgq n SER 203 Ca -0.16 -0.83 -0.35 0.00 -1.33 0.00 0.00 58.87 56.20 1kgq n SER 203 Cb 0.52 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 1kgq n SER 203 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1kgq s MET 204 N -3.78 4.02 -1.35 -1.46 -1.94 -1.26 -3.56 119.30 109.97 1kgq s MET 204 Ca 0.21 1.43 -0.08 0.00 -1.71 0.00 0.00 55.69 55.54 1kgq s MET 204 Cb -0.02 -2.34 0.01 0.00 2.01 0.00 0.00 34.83 34.50 1kgq s MET 204 CO 0.16 -0.25 1.17 0.41 -0.01 0.00 0.00 175.02 176.50 1kgq n GLY 205 N 0.05 -0.53 3.48 -0.03 0.00 -0.58 -4.73 105.19 102.84 1kgq n GLY 205 Ca 0.07 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1kgq n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgq s VAL 206 N -3.32 3.72 -0.24 1.61 1.01 -1.26 -4.72 120.40 117.21 1kgq s VAL 206 Ca 0.53 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1kgq s VAL 206 Cb -0.24 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.58 1kgq s VAL 206 CO 0.73 0.51 -0.12 -0.31 0.00 0.00 0.00 175.10 175.91 1kgq s TYR 207 N 0.27 3.14 -0.19 5.22 2.02 -1.26 -0.59 117.35 125.96 1kgq s TYR 207 Ca -0.04 -2.07 0.01 0.00 -0.37 0.00 0.00 57.07 54.59 1kgq s TYR 207 Cb -0.14 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1kgq s TYR 207 CO 0.03 -0.85 -0.19 -0.51 -1.57 0.00 0.00 175.55 172.47 1kgq s LEU 208 N 1.17 2.24 0.31 -1.29 1.43 0.30 -4.89 118.68 117.96 1kgq s LEU 208 Ca -0.05 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1kgq s LEU 208 Cb -0.18 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1kgq s LEU 208 CO -0.07 -0.01 0.22 -0.83 0.23 0.00 0.00 176.35 175.89 1kgq s GLY 209 N 1.29 2.17 0.56 -3.19 0.00 -1.26 -1.66 107.32 105.23 1kgq s GLY 209 Ca 0.04 -1.86 0.26 0.00 0.00 0.00 0.00 44.72 43.16 1kgq s GLY 209 CO -0.12 -1.52 2.02 1.46 0.00 0.00 0.00 173.10 174.94 1kgq h GLN 210 N 2.19 0.00 -0.06 2.90 1.08 -1.81 0.88 115.11 120.29 1kgq h GLN 210 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1kgq h GLN 210 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1kgq h GLN 210 CO 0.44 0.00 0.00 0.43 -0.95 0.00 0.00 178.83 178.75 1kgq n SER 211 N -4.11 1.59 -4.70 1.46 7.64 -1.26 -4.61 113.62 109.64 1kgq n SER 211 Ca 0.06 -1.57 -0.42 0.00 1.01 0.00 0.00 58.87 57.95 1kgq n SER 211 Cb 0.50 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1kgq n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kgq s THR 212 N -1.93 4.87 -0.20 0.44 2.01 0.30 -5.01 115.64 116.12 1kgq s THR 212 Ca 0.36 1.89 -0.27 0.00 0.31 0.00 0.00 61.69 63.98 1kgq s THR 212 Cb 0.20 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 1kgq s THR 212 CO 0.31 0.11 0.94 -0.13 -0.69 0.00 0.00 174.62 175.16 1kgq s ARG 213 N 1.47 4.28 -0.51 4.92 0.52 -1.26 -4.58 118.95 123.78 1kgq s ARG 213 Ca 0.46 1.19 -0.14 0.00 -0.52 0.00 0.00 55.73 56.73 1kgq s ARG 213 Cb -0.19 -3.61 0.12 0.00 0.52 0.00 0.00 34.95 31.79 1kgq s ARG 213 CO 0.21 -0.49 0.45 0.42 0.02 0.00 0.00 175.30 175.91 1kgq s ILE 214 N 2.70 4.93 -0.16 1.52 1.01 -0.34 -1.46 121.20 129.40 1kgq s ILE 214 Ca 0.41 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 1kgq s ILE 214 Cb -0.16 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1kgq s ILE 214 CO 0.10 -0.81 0.50 -0.47 0.00 0.00 0.00 174.94 174.25 1kgq s TYR 215 N 1.54 3.44 -0.49 3.97 5.04 0.86 0.43 117.35 132.14 1kgq s TYR 215 Ca 0.04 0.82 -0.17 0.00 -2.44 0.00 0.00 57.07 55.32 1kgq s TYR 215 Cb -0.28 -2.61 0.07 0.00 0.35 0.00 0.00 41.96 39.49 1kgq s TYR 215 CO 0.02 0.03 0.48 0.34 -1.34 0.00 0.00 175.55 175.08 1kgq s ASP 216 N 0.90 6.17 0.57 4.32 -1.08 0.07 -0.48 116.67 127.15 1kgq s ASP 216 Ca 0.25 -1.22 0.30 0.00 -0.52 0.00 0.00 52.55 51.37 1kgq s ASP 216 Cb -0.15 -2.22 1.71 0.00 -1.46 0.00 0.00 42.92 40.79 1kgq s ASP 216 CO 0.10 -0.75 2.18 0.08 0.52 0.00 0.00 175.17 177.30 1kgq h ARG 217 N 8.85 0.00 0.34 4.34 0.11 -1.86 0.66 114.38 126.82 1kgq h ARG 217 Ca -0.28 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.78 1kgq h ARG 217 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1kgq h ARG 217 CO 0.92 0.06 -0.16 1.49 0.10 0.00 0.00 179.97 182.37 1kgq h GLU 218 N 0.00 -0.44 0.00 0.08 4.81 -1.91 -3.37 114.58 113.75 1kgq h GLU 218 Ca -0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1kgq h GLU 218 Cb 0.17 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1kgq h GLU 218 CO 0.01 -0.30 -0.39 1.79 -0.73 0.00 0.00 179.01 179.39 1kgq h THR 219 N -0.83 0.51 0.00 0.32 1.35 -1.96 -3.47 112.91 108.83 1kgq h THR 219 Ca -0.05 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1kgq h THR 219 Cb 0.35 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1kgq h THR 219 CO 0.08 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1kgq n GLY 220 N 1.19 0.93 3.75 5.82 0.00 0.22 -5.03 105.19 112.06 1kgq n GLY 220 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1kgq n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kgq s GLU 221 N -0.45 4.70 -0.22 1.61 2.12 -1.24 -4.80 118.70 120.42 1kgq s GLU 221 Ca 0.00 1.65 -0.05 0.00 0.36 0.00 0.00 54.97 56.93 1kgq s GLU 221 Cb 0.00 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 1kgq s GLU 221 CO 0.00 0.27 -0.01 0.42 -0.54 0.00 0.00 175.26 175.40 1kgq s ILE 222 N -0.81 3.65 0.30 -3.70 1.01 -1.26 -0.75 121.20 119.64 1kgq s ILE 222 Ca 0.45 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.74 1kgq s ILE 222 Cb -0.29 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1kgq s ILE 222 CO 0.35 0.41 0.45 -1.00 0.00 0.00 0.00 174.94 175.15 1kgq s HIS 223 N 1.44 3.39 -0.09 3.97 3.76 0.17 -4.89 115.29 123.03 1kgq s HIS 223 Ca 0.05 0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1kgq s HIS 223 Cb -0.14 -1.78 0.04 0.00 1.11 0.00 0.00 32.58 31.81 1kgq s HIS 223 CO -0.01 0.23 0.19 0.71 -0.85 0.00 0.00 174.74 175.01 1kgq s TYR 224 N -2.14 -0.25 0.00 1.40 2.02 -1.26 -1.20 117.35 115.92 1kgq s TYR 224 Ca 0.38 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.73 1kgq s TYR 224 Cb -0.09 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 1kgq s TYR 224 CO 0.32 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1kgq n GLY 225 N 4.37 1.67 3.51 0.71 0.00 -1.26 -5.00 105.19 109.19 1kgq n GLY 225 Ca -0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1kgq n GLY 225 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kgq s ARG 226 N -0.31 1.05 -0.29 1.61 1.70 -1.26 -0.94 118.95 120.50 1kgq s ARG 226 Ca 0.00 0.19 -0.04 0.00 -0.47 0.00 0.00 55.73 55.41 1kgq s ARG 226 Cb 0.00 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1kgq s ARG 226 CO 0.00 -0.34 0.03 0.08 -1.08 0.00 0.00 175.30 173.98 1kgq s VAL 227 N -1.40 3.38 0.25 4.99 1.01 0.53 -4.91 120.40 124.24 1kgq s VAL 227 Ca -0.09 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 1kgq s VAL 227 Cb -0.00 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.43 1kgq s VAL 227 CO 0.08 0.01 1.51 -2.65 0.00 0.00 0.00 175.10 174.04 1kgq n PRO 228 N 4.74 2.33 -1.44 2.72 -0.02 -1.26 -1.24 135.00 140.83 1kgq n PRO 228 Ca -0.14 0.83 -0.46 0.00 -2.02 0.00 0.00 63.50 61.71 1kgq n PRO 228 Cb 0.46 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1kgq n PRO 228 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kgq n ALA 229 N 2.21 -2.15 -1.24 3.55 0.00 -1.26 -2.80 120.51 118.82 1kgq n ALA 229 Ca 0.11 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1kgq n ALA 229 Cb 0.33 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1kgq n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kgq n GLY 230 N 1.84 0.98 3.90 0.00 0.00 -0.83 -4.93 105.19 106.14 1kgq n GLY 230 Ca 0.15 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1kgq n GLY 230 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kgq s SER 231 N -2.73 6.42 -0.22 1.61 0.01 -1.12 -1.49 113.70 116.18 1kgq s SER 231 Ca 0.00 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 1kgq s SER 231 Cb 0.00 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 64.03 1kgq s SER 231 CO 0.00 -0.36 -0.11 -0.69 0.41 0.00 0.00 173.24 172.49 1kgq s VAL 232 N -2.35 2.68 -0.07 3.43 1.01 -0.37 0.34 120.40 125.07 1kgq s VAL 232 Ca 0.47 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1kgq s VAL 232 Cb -0.10 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1kgq s VAL 232 CO 0.34 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.97 1kgq s VAL 233 N 1.34 3.00 0.16 2.92 1.01 0.09 -1.68 120.40 127.23 1kgq s VAL 233 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1kgq s VAL 233 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1kgq s VAL 233 CO -0.07 0.57 0.00 0.68 0.00 0.00 0.00 175.10 176.28 1kgq s VAL 234 N -0.42 0.59 0.39 2.92 -7.23 -0.16 -0.62 120.40 115.87 1kgq s VAL 234 Ca 0.05 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.01 1kgq s VAL 234 Cb -0.12 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1kgq s VAL 234 CO 0.02 -0.52 1.14 -0.44 -0.31 0.00 0.00 175.10 174.98 1kgq s SER 235 N -3.14 6.60 0.00 4.85 0.01 -1.26 0.11 113.70 120.87 1kgq s SER 235 Ca 0.22 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1kgq s SER 235 Cb 0.06 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1kgq s SER 235 CO 0.02 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1kgq n GLY 236 N 0.60 2.78 3.17 3.44 0.00 0.30 -4.80 105.19 110.68 1kgq n GLY 236 Ca 0.04 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1kgq n GLY 236 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kgq s ASN 237 N 1.12 0.06 -0.06 1.61 0.02 -1.26 -0.99 114.94 115.45 1kgq s ASN 237 Ca 0.00 -0.42 0.05 0.00 -1.02 0.00 0.00 52.86 51.48 1kgq s ASN 237 Cb 0.00 0.28 -0.02 0.00 0.02 0.00 0.00 41.25 41.54 1kgq s ASN 237 CO 0.00 -0.57 -0.22 -0.76 0.02 0.00 0.00 177.10 175.57 1kgq s LEU 238 N -2.17 2.23 0.42 0.60 1.43 0.63 -4.88 118.68 116.95 1kgq s LEU 238 Ca -0.04 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 1kgq s LEU 238 Cb -0.00 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 1kgq s LEU 238 CO -0.05 0.27 1.06 -2.16 0.23 0.00 0.00 176.35 175.70 1kgq s PRO 239 N -0.29 4.05 1.08 1.29 0.04 -1.26 -0.61 135.00 139.30 1kgq s PRO 239 Ca 0.01 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1kgq s PRO 239 Cb -0.13 -2.43 0.24 0.00 0.04 0.00 0.00 34.50 32.22 1kgq s PRO 239 CO 0.03 -0.24 1.06 -1.54 0.04 0.00 0.00 177.00 176.34 1kgq s SER 240 N -1.64 1.77 0.15 6.66 1.04 0.56 -4.87 113.70 117.37 1kgq s SER 240 Ca 0.60 1.43 -0.15 0.00 0.48 0.00 0.00 55.95 58.32 1kgq s SER 240 Cb -0.21 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.77 1kgq s SER 240 CO 0.27 -3.70 1.75 0.07 0.98 0.00 0.00 173.24 172.60 1kgq h LYS 241 N -2.28 0.63 0.00 4.02 -0.00 -1.97 -2.35 116.57 114.63 1kgq h LYS 241 Ca -0.58 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 59.99 1kgq h LYS 241 Cb 1.33 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1kgq h LYS 241 CO 0.53 0.51 0.00 -0.40 -0.00 0.00 0.00 179.45 180.09 1kgq n ASP 242 N -4.68 0.71 -0.11 7.07 5.68 -1.26 -4.89 116.55 119.06 1kgq n ASP 242 Ca 0.01 0.60 -0.01 0.00 -0.50 0.00 0.00 54.79 54.88 1kgq n ASP 242 Cb 0.09 -0.78 -0.01 0.00 -1.14 0.00 0.00 41.12 39.29 1kgq n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kgq n GLY 243 N 0.91 0.52 0.00 6.12 0.00 -0.88 -4.90 105.19 106.95 1kgq n GLY 243 Ca 0.05 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1kgq n GLY 243 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kgq n SER 244 N 0.80 0.10 -3.65 1.61 3.41 -1.26 -4.86 113.62 109.77 1kgq n SER 244 Ca -0.01 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1kgq n SER 244 Cb 0.08 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1kgq n SER 244 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1kgq s TYR 245 N -2.98 -0.06 0.04 7.33 1.13 -1.26 -5.05 117.35 116.49 1kgq s TYR 245 Ca 0.14 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.59 1kgq s TYR 245 Cb 0.19 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.64 1kgq s TYR 245 CO 0.56 -0.68 -0.02 -1.54 -2.51 0.00 0.00 175.55 171.36 1kgq s SER 246 N -3.07 0.36 0.18 -0.18 1.04 -1.26 -0.33 113.70 110.45 1kgq s SER 246 Ca 0.15 -0.76 0.10 0.00 0.48 0.00 0.00 55.95 55.92 1kgq s SER 246 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1kgq s SER 246 CO 0.01 -0.47 -0.20 -0.76 0.98 0.00 0.00 173.24 172.79 1kgq s LEU 247 N -2.27 2.45 0.51 2.42 1.43 0.22 -4.88 118.68 118.56 1kgq s LEU 247 Ca -0.03 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 1kgq s LEU 247 Cb 0.00 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.17 1kgq s LEU 247 CO -0.06 0.03 0.96 0.00 0.23 0.00 0.00 176.35 177.50 1kgq n TYR 248 N 0.20 0.90 -3.59 0.29 9.36 -1.26 -0.27 117.16 122.80 1kgq n TYR 248 Ca -0.12 0.49 -0.08 0.00 3.32 0.00 0.00 57.90 61.50 1kgq n TYR 248 Cb 0.57 -2.17 -0.02 0.00 -0.63 0.00 0.00 39.34 37.09 1kgq n TYR 248 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1kgq s ALA 250 N -3.51 3.79 -0.13 0.00 0.00 -0.53 -0.54 121.76 120.84 1kgq s ALA 250 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1kgq s ALA 250 Cb -0.02 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1kgq s ALA 250 CO -0.05 0.44 -0.22 0.08 0.00 0.00 0.00 175.76 176.01 1kgq s VAL 251 N -0.50 2.09 -0.51 0.00 1.01 0.12 -0.10 120.40 122.52 1kgq s VAL 251 Ca 0.12 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1kgq s VAL 251 Cb -0.12 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1kgq s VAL 251 CO 0.02 0.55 0.98 -0.63 0.00 0.00 0.00 175.10 176.02 1kgq s ILE 252 N 0.69 4.37 -0.51 2.22 1.01 0.37 -0.99 121.20 128.36 1kgq s ILE 252 Ca -0.10 0.63 0.23 0.00 0.00 0.00 0.00 60.65 61.40 1kgq s ILE 252 Cb -0.16 -4.52 -0.11 0.00 0.01 0.00 0.00 42.46 37.68 1kgq s ILE 252 CO 0.01 -1.01 1.00 1.33 0.00 0.00 0.00 174.94 176.26 1kgq n VAL 253 N 6.40 0.23 0.00 2.92 0.24 -0.68 -3.45 118.33 124.00 1kgq n VAL 253 Ca 0.05 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1kgq n VAL 253 Cb 0.48 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1kgq n VAL 253 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1kgq n LYS 254 N -2.09 -1.53 -3.71 7.34 2.85 -1.25 -4.99 118.16 114.78 1kgq n LYS 254 Ca 0.01 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.92 1kgq n LYS 254 Cb 0.46 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.79 1kgq n LYS 254 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1kgq s LYS 255 N -2.00 3.64 0.25 -1.58 -0.14 -1.26 -1.24 119.74 117.41 1kgq s LYS 255 Ca 0.00 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 1kgq s LYS 255 Cb 0.00 -3.09 -0.14 0.00 -1.68 0.00 0.00 37.83 32.92 1kgq s LYS 255 CO 0.00 0.65 1.25 0.28 -0.76 0.00 0.00 175.35 176.76 1kgq n VAL 256 N 1.23 1.32 -4.28 3.17 0.31 -0.55 -4.86 118.33 114.66 1kgq n VAL 256 Ca -0.12 -0.33 -0.18 0.00 -0.01 0.00 0.00 64.34 63.70 1kgq n VAL 256 Cb 0.53 -1.24 -0.07 0.00 -0.91 0.00 0.00 33.84 32.15 1kgq n VAL 256 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kgq n ASP 257 N 1.71 -0.44 -0.27 4.52 5.68 -1.26 -5.01 116.55 121.48 1kgq n ASP 257 Ca 0.11 -3.00 0.04 0.00 -0.50 0.00 0.00 54.79 51.44 1kgq n ASP 257 Cb 0.31 1.46 0.26 0.00 -1.14 0.00 0.00 41.12 42.01 1kgq n ASP 257 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kgq h ALA 258 N 1.94 1.54 -0.29 2.12 0.00 -1.98 0.19 119.26 122.78 1kgq h ALA 258 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kgq h ALA 258 Cb 1.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1kgq h ALA 258 CO 0.33 0.34 0.18 -0.22 0.00 0.00 0.00 179.25 179.88 1kgq h LYS 259 N 0.98 0.39 0.03 0.00 3.64 -1.99 -1.98 116.57 117.65 1kgq h LYS 259 Ca 0.36 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1kgq h LYS 259 Cb 0.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1kgq h LYS 259 CO -0.13 0.29 -0.01 1.15 -2.27 0.00 0.00 179.45 178.48 1kgq h THR 260 N 0.38 1.11 -0.58 1.00 2.02 -1.66 -2.30 112.91 112.88 1kgq h THR 260 Ca 0.11 -0.42 0.17 0.00 0.77 0.00 0.00 66.41 67.03 1kgq h THR 260 Cb -0.01 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1kgq h THR 260 CO -0.02 0.11 0.53 0.03 0.37 0.00 0.00 175.52 176.54 1kgq h ARG 261 N -0.22 0.00 -0.04 6.66 3.08 -0.49 0.09 114.38 123.46 1kgq h ARG 261 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1kgq h ARG 261 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1kgq h ARG 261 CO 0.01 0.00 -0.23 0.78 -1.07 0.00 0.00 179.97 179.46 1kgq h GLY 262 N 0.00 0.06 0.46 0.04 0.00 -0.76 -3.10 103.07 99.78 1kgq h GLY 262 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1kgq h GLY 262 CO -0.00 0.04 -1.04 0.28 0.00 0.00 0.00 176.54 175.82 1kgq n LYS 263 N -4.24 0.22 -0.03 4.80 5.02 0.01 -4.56 118.16 119.37 1kgq n LYS 263 Ca -0.02 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1kgq n LYS 263 Cb 0.30 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1kgq n LYS 263 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1kgq n VAL 264 N -1.84 1.23 -2.09 -0.18 0.24 -1.16 -5.08 118.33 109.45 1kgq n VAL 264 Ca 0.02 -1.35 -0.37 0.00 -2.04 0.00 0.00 64.34 60.60 1kgq n VAL 264 Cb 0.41 0.28 0.01 0.00 -1.47 0.00 0.00 33.84 33.08 1kgq n VAL 264 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1kgq s GLY 265 N -1.56 2.80 0.30 7.63 0.00 -1.21 -4.99 107.32 110.29 1kgq s GLY 265 Ca 0.10 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.59 1kgq s GLY 265 CO 0.01 1.51 1.07 -0.42 0.00 0.00 0.00 173.10 175.27 1kgq s ILE 266 N -1.49 3.61 -0.60 0.90 -1.09 -1.26 -5.00 121.20 116.26 1kgq s ILE 266 Ca 0.68 1.53 -0.17 0.00 -2.23 0.00 0.00 60.65 60.46 1kgq s ILE 266 Cb -0.32 -3.94 0.13 0.00 -1.58 0.00 0.00 42.46 36.76 1kgq s ILE 266 CO 0.38 0.30 0.61 0.21 -1.23 0.00 0.00 174.94 175.21 1kgq s ASN 267 N -1.07 6.27 0.57 3.58 3.84 -1.26 -4.93 114.94 121.94 1kgq s ASN 267 Ca 0.47 -1.79 0.26 0.00 0.21 0.00 0.00 52.86 52.01 1kgq s ASN 267 Cb -0.29 -2.24 1.57 0.00 -0.55 0.00 0.00 41.25 39.74 1kgq s ASN 267 CO 0.37 -0.91 2.10 -0.33 -2.79 0.00 0.00 177.10 175.54 1kgq h GLU 268 N 8.85 0.00 0.00 0.43 4.39 -1.98 -0.06 114.58 126.21 1kgq h GLU 268 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1kgq h GLU 268 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1kgq h GLU 268 CO 1.03 0.00 0.00 -0.07 -1.16 0.00 0.00 179.01 178.81 1kgq h LEU 269 N 0.00 0.00 0.00 1.33 3.38 -1.98 -1.61 115.31 116.42 1kgq h LEU 269 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1kgq h LEU 269 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1kgq h LEU 269 CO -0.00 0.00 -0.52 -0.07 0.09 0.00 0.00 178.44 177.94 1kgq h LEU 270 N 0.00 0.00-10.72 1.67 3.38 -1.42 -3.47 115.31 104.74 1kgq h LEU 270 Ca 0.00 -0.17 -0.43 0.00 0.09 0.00 0.00 57.88 57.37 1kgq h LEU 270 Cb 0.34 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.28 1kgq h LEU 270 CO 0.00 0.09 0.33 -0.13 0.09 0.00 0.00 178.44 178.81 1kgq s ARG 271 N -3.16 -0.32 0.41 1.13 1.81 -0.61 -5.00 118.95 113.22 1kgq s ARG 271 Ca 0.07 -0.43 -0.27 0.00 -1.72 0.00 0.00 55.73 53.38 1kgq s ARG 271 Cb 0.13 -1.74 -0.09 0.00 -0.45 0.00 0.00 34.95 32.80 1kgq s ARG 271 CO 0.70 -3.05 1.42 0.99 -0.68 0.00 0.00 175.30 174.68 1kgq s THR 272 N -3.66 2.19 -0.28 0.02 2.01 -1.26 -5.01 115.64 109.66 1kgq s THR 272 Ca 0.75 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.83 1kgq s THR 272 Cb -0.04 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1kgq s THR 272 CO 0.54 0.03 0.18 -0.63 -0.69 0.00 0.00 174.62 174.06 1kgq s ILE 273 N -1.18 5.21 0.00 1.82 1.01 -1.26 -5.09 121.20 121.72 1kgq s ILE 273 Ca 0.56 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1kgq s ILE 273 Cb -0.44 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1kgq s ILE 273 CO 0.57 0.25 0.00 -0.90 0.00 0.00 0.00 174.94 174.86