#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwm h ASN 8 N 0.00 0.73 -0.37 0.53 -1.24 -2.04 -0.38 115.58 112.80 3kwm h ASN 8 Ca 0.00 -0.21 -0.08 0.00 0.71 0.00 0.00 56.30 56.72 3kwm h ASN 8 Cb 0.00 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 3kwm h ASN 8 CO 0.00 0.75 -0.04 -0.61 -1.29 0.00 0.00 177.43 176.23 3kwm h GLN 9 N 0.67 0.77 -0.54 6.67 4.15 -2.01 -2.22 115.11 122.60 3kwm h GLN 9 Ca 0.16 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3kwm h GLN 9 Cb 0.29 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3kwm h GLN 9 CO -0.00 0.81 0.19 -0.44 -1.93 0.00 0.00 178.83 177.46 3kwm h ASP 10 N 0.71 0.73 -0.21 -0.69 3.32 -1.93 -1.13 116.42 117.22 3kwm h ASP 10 Ca 0.13 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3kwm h ASP 10 Cb 0.50 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3kwm h ASP 10 CO 0.03 0.68 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.78 3kwm h GLU 11 N 0.78 0.74 -0.50 3.56 4.57 -0.78 -1.46 114.58 121.50 3kwm h GLU 11 Ca 0.18 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 3kwm h GLU 11 Cb 0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3kwm h GLU 11 CO -0.01 0.98 0.03 -0.07 -1.18 0.00 0.00 179.01 178.76 3kwm h LEU 12 N 0.61 0.84 -0.66 1.64 3.38 -1.04 -1.61 115.31 118.46 3kwm h LEU 12 Ca 0.06 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3kwm h LEU 12 Cb 0.90 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3kwm h LEU 12 CO 0.08 0.92 0.23 0.11 0.09 0.00 0.00 178.44 179.87 3kwm h LYS 13 N 0.73 1.02 -0.68 1.13 1.57 -1.13 -1.42 116.57 117.78 3kwm h LYS 13 Ca 0.15 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3kwm h LYS 13 Cb 0.47 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3kwm h LYS 13 CO 0.02 0.87 0.27 -0.22 -0.57 0.00 0.00 179.45 179.82 3kwm h LYS 14 N 0.96 1.00 -0.09 3.15 3.64 -1.19 -1.83 116.57 122.21 3kwm h LYS 14 Ca 0.22 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kwm h LYS 14 Cb 0.26 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3kwm h LYS 14 CO -0.01 0.82 0.05 1.25 -2.27 0.00 0.00 179.45 179.29 3kwm h LEU 15 N 0.98 0.12 -0.87 5.20 5.85 -0.96 -0.95 115.31 124.68 3kwm h LEU 15 Ca 0.23 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3kwm h LEU 15 Cb 0.20 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3kwm h LEU 15 CO -0.02 0.19 0.44 0.00 -0.34 0.00 0.00 178.44 178.71 3kwm h ALA 16 N 0.94 1.11 -0.40 1.25 0.00 -1.16 -2.71 119.26 118.30 3kwm h ALA 16 Ca 0.03 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3kwm h ALA 16 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kwm h ALA 16 CO -0.00 0.66 -0.35 0.00 0.00 0.00 0.00 179.25 179.56 3kwm h ALA 17 N 1.24 0.62 -0.68 0.00 0.00 -1.19 -2.47 119.26 116.78 3kwm h ALA 17 Ca 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kwm h ALA 17 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kwm h ALA 17 CO -0.04 0.68 0.24 1.15 0.00 0.00 0.00 179.25 181.27 3kwm h THR 18 N 0.77 1.24 -0.38 0.00 2.02 -1.10 -2.14 112.91 113.32 3kwm h THR 18 Ca 0.07 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 3kwm h THR 18 Cb 0.94 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3kwm h THR 18 CO 0.09 0.32 -0.19 -0.08 0.37 0.00 0.00 175.52 176.03 3kwm h GLU 19 N 0.99 0.81 -0.70 6.66 4.57 -1.37 -3.12 114.58 122.41 3kwm h GLU 19 Ca 0.22 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3kwm h GLU 19 Cb 0.24 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3kwm h GLU 19 CO -0.01 0.98 0.31 0.00 -1.18 0.00 0.00 179.01 179.11 3kwm h ALA 20 N 0.80 0.91 -0.13 2.92 0.00 -1.32 -2.93 119.26 119.52 3kwm h ALA 20 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kwm h ALA 20 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kwm h ALA 20 CO 0.06 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.93 3kwm h ALA 21 N 1.14 1.92 0.00 0.00 0.00 -1.33 -1.10 119.26 119.90 3kwm h ALA 21 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kwm h ALA 21 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kwm h ALA 21 CO -0.02 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.68 3kwm n LYS 22 N -4.16 0.07 0.13 0.00 5.02 -1.11 -1.55 118.16 116.57 3kwm n LYS 22 Ca 0.00 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 3kwm n LYS 22 Cb 0.23 -1.64 0.39 0.00 -0.02 0.00 0.00 35.03 33.99 3kwm n LYS 22 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3kwm h SER 23 N 0.00 0.00 -0.88 4.39 0.02 -1.35 -3.39 113.55 112.33 3kwm h SER 23 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3kwm h SER 23 Cb 0.25 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 3kwm h SER 23 CO 0.00 0.00 1.25 -0.63 -1.14 0.00 0.00 176.83 176.31 3kwm s ILE 24 N -3.16 3.73 -0.16 3.27 1.01 -0.59 -4.69 121.20 120.61 3kwm s ILE 24 Ca 0.09 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3kwm s ILE 24 Cb 0.11 -4.64 -0.13 0.00 0.01 0.00 0.00 42.46 37.80 3kwm s ILE 24 CO 0.58 -1.50 -0.07 0.35 0.00 0.00 0.00 174.94 174.30 3kwm n THR 25 N 7.28 0.96 -4.01 2.92 -2.24 -1.26 -5.03 114.28 112.90 3kwm n THR 25 Ca 0.38 -0.45 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 3kwm n THR 25 Cb 0.49 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 3kwm n THR 25 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwm s THR 26 N -2.34 1.93 -0.23 4.28 -4.23 -1.26 -5.04 115.64 108.75 3kwm s THR 26 Ca -0.16 -1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 58.46 3kwm s THR 26 Cb 0.05 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 3kwm s THR 26 CO 0.46 0.00 1.45 -1.83 -0.54 0.00 0.00 174.62 174.16 3kwm s GLU 27 N -4.10 3.92 0.22 3.99 -1.05 -1.25 -4.76 118.70 115.66 3kwm s GLU 27 Ca 0.35 1.54 0.06 0.00 -0.15 0.00 0.00 54.97 56.77 3kwm s GLU 27 Cb -0.00 -3.94 -0.05 0.00 -0.44 0.00 0.00 34.13 29.70 3kwm s GLU 27 CO 0.20 -1.12 -0.09 0.96 0.95 0.00 0.00 175.26 176.16 3kwm s ILE 28 N 4.59 1.50 -0.37 1.83 -4.36 -0.03 -4.91 121.20 119.44 3kwm s ILE 28 Ca 0.64 -2.14 -0.23 0.00 -0.26 0.00 0.00 60.65 58.66 3kwm s ILE 28 Cb -0.22 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3kwm s ILE 28 CO 0.25 -0.51 0.79 -0.89 0.24 0.00 0.00 174.94 174.82 3kwm s THR 29 N -3.12 4.71 -0.13 8.37 2.01 -1.26 -2.40 115.64 123.82 3kwm s THR 29 Ca 0.24 0.85 -0.10 0.00 0.31 0.00 0.00 61.69 62.99 3kwm s THR 29 Cb 0.02 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3kwm s THR 29 CO 0.07 -0.48 0.20 -0.22 -0.69 0.00 0.00 174.62 173.51 3kwm s LEU 30 N 3.15 4.33 -0.14 4.42 2.96 0.51 -0.83 118.68 133.09 3kwm s LEU 30 Ca 0.32 0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 3kwm s LEU 30 Cb -0.13 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3kwm s LEU 30 CO 0.18 0.29 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.64 3kwm s GLY 31 N -0.45 1.75 -0.13 7.98 0.00 0.18 -0.41 107.32 116.25 3kwm s GLY 31 Ca 0.15 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 44.05 3kwm s GLY 31 CO 0.04 -0.17 -0.12 0.14 0.00 0.00 0.00 173.10 173.00 3kwm s VAL 32 N 0.11 3.18 0.00 1.40 1.01 -0.29 -1.50 120.40 124.31 3kwm s VAL 32 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kwm s VAL 32 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kwm s VAL 32 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3kwm n GLY 33 N 3.44 -0.19 2.98 4.51 0.00 0.04 -2.05 105.19 113.93 3kwm n GLY 33 Ca -0.18 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3kwm n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwm s THR 34 N 0.00 0.22 0.00 2.61 2.01 -1.26 -4.57 115.64 114.65 3kwm s THR 34 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3kwm s THR 34 Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.19 3kwm s THR 34 CO 0.00 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 3kwm n GLY 35 N 1.89 0.91 0.31 4.40 0.00 -1.26 -4.55 105.19 106.89 3kwm n GLY 35 Ca -0.21 -2.30 -0.09 0.00 0.00 0.00 0.00 46.02 43.42 3kwm n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kwm h SER 36 N 0.00 1.07 -0.29 1.61 4.64 -2.01 -0.44 113.55 118.13 3kwm h SER 36 Ca 0.00 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3kwm h SER 36 Cb 0.00 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3kwm h SER 36 CO 0.00 1.10 0.14 0.74 -0.87 0.00 0.00 176.83 177.95 3kwm h THR 37 N 1.00 1.15 -0.16 2.95 2.02 -1.92 -2.64 112.91 115.31 3kwm h THR 37 Ca 0.18 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3kwm h THR 37 Cb 0.54 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3kwm h THR 37 CO 0.03 0.15 -0.11 0.58 0.37 0.00 0.00 175.52 176.54 3kwm h VAL 38 N 0.34 1.17 -0.88 3.16 2.07 -1.78 -2.48 116.25 117.84 3kwm h VAL 38 Ca 0.10 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 67.05 3kwm h VAL 38 Cb 0.11 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3kwm h VAL 38 CO -0.01 0.23 0.57 1.23 0.02 0.00 0.00 177.57 179.61 3kwm h GLY 39 N 0.71 1.10 1.75 2.17 0.00 -0.70 0.14 103.07 108.24 3kwm h GLY 39 Ca 0.05 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 3kwm h GLY 39 CO 0.02 0.05 -0.77 0.74 0.00 0.00 0.00 176.54 176.59 3kwm h PHE 40 N 0.60 0.33 -0.16 5.60 0.04 -1.40 -2.73 116.94 119.23 3kwm h PHE 40 Ca 0.45 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 3kwm h PHE 40 Cb 0.85 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 3kwm h PHE 40 CO -0.00 0.91 -0.02 1.25 -0.60 0.00 0.00 178.31 179.85 3kwm h LEU 41 N 0.15 0.30 -0.57 1.54 5.85 -1.02 -2.44 115.31 119.12 3kwm h LEU 41 Ca -0.03 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3kwm h LEU 41 Cb 1.34 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3kwm h LEU 41 CO 0.12 0.57 0.24 0.40 -0.34 0.00 0.00 178.44 179.43 3kwm h ILE 42 N 0.02 0.83 -0.93 4.05 2.04 -0.85 -0.67 117.51 122.00 3kwm h ILE 42 Ca 0.04 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.85 3kwm h ILE 42 Cb 0.43 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 3kwm h ILE 42 CO 0.01 0.08 0.57 -0.08 0.00 0.00 0.00 178.15 178.74 3kwm h GLU 43 N 0.44 0.93 0.00 2.37 4.57 -1.47 -2.18 114.58 119.23 3kwm h GLU 43 Ca 0.28 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3kwm h GLU 43 Cb 0.29 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3kwm h GLU 43 CO -0.25 0.62 -0.03 1.49 -1.18 0.00 0.00 179.01 179.65 3kwm h GLU 44 N 0.96 0.00 0.00 1.92 4.57 -0.65 -3.29 114.58 118.08 3kwm h GLU 44 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 3kwm h GLU 44 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3kwm h GLU 44 CO -0.24 0.03 0.00 -0.07 -1.18 0.00 0.00 179.01 177.56 3kwm h LEU 45 N 0.00 0.00 -1.89 1.64 3.38 -0.59 -1.52 115.31 116.33 3kwm h LEU 45 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kwm h LEU 45 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kwm h LEU 45 CO 0.00 0.00 -0.04 0.58 0.09 0.00 0.00 178.44 179.07 3kwm h VAL 46 N 0.00 0.15 -0.00 1.22 2.07 -1.74 -2.13 116.25 115.82 3kwm h VAL 46 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kwm h VAL 46 Cb 0.07 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kwm h VAL 46 CO 0.00 0.04 -0.15 0.59 0.02 0.00 0.00 177.57 178.07 3kwm n ASN 47 N -3.21 0.22 -0.15 0.57 3.02 -0.57 -3.98 115.26 111.16 3kwm n ASN 47 Ca -0.01 0.05 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 3kwm n ASN 47 Cb 0.25 -0.21 0.09 0.00 -0.61 0.00 0.00 39.78 39.30 3kwm n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kwm n TYR 48 N -1.38 0.00 -0.26 3.10 4.01 -0.81 -4.87 117.16 116.95 3kwm n TYR 48 Ca 0.09 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3kwm n TYR 48 Cb 0.32 -0.11 0.07 0.00 -0.31 0.00 0.00 39.34 39.31 3kwm n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kwm h ARG 49 N 0.00 -0.03 0.00 -0.72 3.08 -1.66 -0.97 114.38 114.08 3kwm h ARG 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kwm h ARG 49 Cb 1.03 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kwm h ARG 49 CO 0.00 -0.02 0.00 -0.40 -1.07 0.00 0.00 179.97 178.48 3kwm n ASP 50 N -5.49 0.30 -0.00 7.04 3.85 -1.26 -2.09 116.55 118.90 3kwm n ASP 50 Ca 0.09 0.59 0.09 0.00 -0.71 0.00 0.00 54.79 54.86 3kwm n ASP 50 Cb 0.38 -0.65 -0.12 0.00 -1.35 0.00 0.00 41.12 39.38 3kwm n ASP 50 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kwm n LYS 51 N -1.85 0.79 -3.41 0.11 4.76 -0.39 -4.84 118.16 113.33 3kwm n LYS 51 Ca 0.02 -0.07 -0.44 0.00 -2.87 0.00 0.00 58.31 54.95 3kwm n LYS 51 Cb 0.14 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 3kwm n LYS 51 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kwm s ILE 52 N -2.96 4.95 -0.02 -0.18 1.01 -0.89 -0.85 121.20 122.26 3kwm s ILE 52 Ca 0.02 -1.99 -0.24 0.00 0.00 0.00 0.00 60.65 58.43 3kwm s ILE 52 Cb 0.13 -4.16 -0.20 0.00 0.01 0.00 0.00 42.46 38.25 3kwm s ILE 52 CO 0.77 -0.89 1.19 0.11 0.00 0.00 0.00 174.94 176.11 3kwm h LYS 53 N 8.29 0.13 -4.93 2.79 1.57 -1.75 -3.47 116.57 119.20 3kwm h LYS 53 Ca -0.13 -0.09 -0.43 0.00 -1.87 0.00 0.00 60.65 58.13 3kwm h LYS 53 Cb 1.06 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.10 3kwm h LYS 53 CO 0.88 0.69 -0.79 0.99 -0.57 0.00 0.00 179.45 180.65 3kwm s THR 54 N -3.84 0.86 -0.12 -0.16 2.01 -1.20 -4.94 115.64 108.25 3kwm s THR 54 Ca -0.16 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.40 3kwm s THR 54 Cb 0.02 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.82 3kwm s THR 54 CO 0.71 0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.00 3kwm s VAL 55 N -0.25 1.80 -0.11 3.82 1.01 -1.22 -0.36 120.40 125.09 3kwm s VAL 55 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3kwm s VAL 55 Cb -0.04 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3kwm s VAL 55 CO -0.00 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 3kwm s VAL 56 N 0.78 3.86 -0.02 2.92 1.01 0.45 0.33 120.40 129.73 3kwm s VAL 56 Ca -0.10 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3kwm s VAL 56 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3kwm s VAL 56 CO 0.01 0.55 -0.06 -0.55 0.00 0.00 0.00 175.10 175.04 3kwm s SER 57 N -0.25 4.68 0.00 3.32 0.15 -1.26 -1.13 113.70 119.20 3kwm s SER 57 Ca 0.04 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.84 3kwm s SER 57 Cb -0.13 -1.13 0.57 0.00 -1.71 0.00 0.00 66.02 63.62 3kwm s SER 57 CO 0.02 0.30 1.45 -1.54 1.20 0.00 0.00 173.24 174.68 3kwm n SER 58 N 1.72 0.73 -3.70 5.45 3.41 -0.87 -4.94 113.62 115.42 3kwm n SER 58 Ca -0.16 -0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 3kwm n SER 58 Cb 0.53 0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 3kwm n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kwm s SER 59 N -2.81 -0.23 0.30 4.04 1.04 -1.26 -4.26 113.70 110.51 3kwm s SER 59 Ca 0.16 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 3kwm s SER 59 Cb 0.18 0.40 0.44 0.00 0.10 0.00 0.00 66.02 67.14 3kwm s SER 59 CO 0.64 -0.64 1.94 -0.33 0.98 0.00 0.00 173.24 175.82 3kwm h GLU 60 N 3.10 1.03 -0.66 4.02 4.39 -1.99 -1.09 114.58 123.38 3kwm h GLU 60 Ca -0.31 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.36 3kwm h GLU 60 Cb 1.20 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 3kwm h GLU 60 CO 0.44 0.72 0.36 0.22 -1.16 0.00 0.00 179.01 179.59 3kwm h ASP 61 N 1.05 0.52 0.23 1.42 -0.00 -2.00 -1.67 116.42 115.96 3kwm h ASP 61 Ca 0.27 0.03 -0.17 0.00 -0.00 0.00 0.00 57.03 57.17 3kwm h ASP 61 Cb -0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 3kwm h ASP 61 CO -0.05 0.33 -0.65 0.28 -0.00 0.00 0.00 179.24 179.15 3kwm h SER 62 N 0.65 0.46 -0.63 2.28 0.02 -1.77 -3.06 113.55 111.52 3kwm h SER 62 Ca 0.30 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3kwm h SER 62 Cb 0.21 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3kwm h SER 62 CO -0.19 0.99 0.31 0.74 -1.14 0.00 0.00 176.83 177.54 3kwm h THR 63 N 0.29 1.21 -0.57 -2.27 2.02 -0.89 0.73 112.91 113.43 3kwm h THR 63 Ca -0.01 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3kwm h THR 63 Cb 1.20 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3kwm h THR 63 CO 0.11 0.24 0.34 0.03 0.37 0.00 0.00 175.52 176.61 3kwm h ARG 64 N 0.86 0.78 -0.33 6.66 3.08 -1.33 -0.87 114.38 123.23 3kwm h ARG 64 Ca 0.22 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3kwm h ARG 64 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3kwm h ARG 64 CO -0.03 0.57 0.01 0.87 -1.07 0.00 0.00 179.97 180.32 3kwm h LYS 65 N 0.77 0.58 -0.58 0.04 1.57 -1.40 -1.31 116.57 116.24 3kwm h LYS 65 Ca 0.20 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3kwm h LYS 65 Cb -0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3kwm h LYS 65 CO -0.04 0.70 0.15 -0.07 -0.57 0.00 0.00 179.45 179.62 3kwm h LEU 66 N 0.39 0.84 -0.27 2.94 3.38 -0.74 -2.71 115.31 119.14 3kwm h LEU 66 Ca 0.10 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kwm h LEU 66 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kwm h LEU 66 CO 0.02 0.82 -0.46 0.11 0.09 0.00 0.00 178.44 179.01 3kwm h LYS 67 N 0.87 0.00 0.00 1.13 1.57 -1.12 -1.61 116.57 117.41 3kwm h LYS 67 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3kwm h LYS 67 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kwm h LYS 67 CO -0.00 0.46 -0.14 0.00 -0.57 0.00 0.00 179.45 179.20 3kwm h ALA 68 N 1.54 1.11 -0.58 3.86 0.00 -0.93 -2.39 119.26 121.87 3kwm h ALA 68 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kwm h ALA 68 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kwm h ALA 68 CO 0.06 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3kwm n LEU 69 N -3.42 4.48 -0.26 0.00 4.77 -1.06 -4.97 117.00 116.53 3kwm n LEU 69 Ca -0.01 -2.46 -0.03 0.00 -0.03 0.00 0.00 56.01 53.48 3kwm n LEU 69 Cb 0.32 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3kwm n LEU 69 CO 0.30 0.79 -0.03 0.61 -1.33 0.00 0.00 177.39 177.73 3kwm n GLY 70 N 0.89 0.64 3.81 -0.72 0.00 -0.90 -5.03 105.19 103.88 3kwm n GLY 70 Ca 0.24 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3kwm n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwm s PHE 71 N -2.07 3.60 -0.46 1.61 0.08 -0.62 -5.01 117.98 115.12 3kwm s PHE 71 Ca 0.00 1.54 -0.24 0.00 0.12 0.00 0.00 56.93 58.35 3kwm s PHE 71 Cb 0.00 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.73 3kwm s PHE 71 CO 0.00 0.21 0.85 0.34 -0.10 0.00 0.00 175.22 176.53 3kwm s ASP 72 N -1.77 6.44 -0.15 1.36 3.68 -1.26 -4.24 116.67 120.74 3kwm s ASP 72 Ca 0.49 -0.04 -0.24 0.00 2.13 0.00 0.00 52.55 54.89 3kwm s ASP 72 Cb -0.16 -2.42 -0.02 0.00 -1.45 0.00 0.00 42.92 38.88 3kwm s ASP 72 CO 0.21 -1.00 0.78 -0.69 0.13 0.00 0.00 175.17 174.60 3kwm s VAL 73 N 3.53 4.94 -0.12 1.11 1.01 -1.26 -3.37 120.40 126.23 3kwm s VAL 73 Ca 0.33 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.87 3kwm s VAL 73 Cb -0.11 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3kwm s VAL 73 CO 0.24 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 3kwm s VAL 74 N 1.80 2.20 0.30 2.92 1.01 0.15 -4.99 120.40 123.79 3kwm s VAL 74 Ca 0.37 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3kwm s VAL 74 Cb -0.17 -1.87 -0.13 0.00 0.00 0.00 0.00 36.38 34.22 3kwm s VAL 74 CO 0.14 0.55 1.36 -0.67 0.00 0.00 0.00 175.10 176.48 3kwm n ASP 75 N 3.78 2.86 0.23 3.32 2.03 -1.26 -4.28 116.55 123.23 3kwm n ASP 75 Ca -0.19 1.18 0.12 0.00 0.52 0.00 0.00 54.79 56.41 3kwm n ASP 75 Cb 0.52 -1.48 0.71 0.00 -0.72 0.00 0.00 41.12 40.16 3kwm n ASP 75 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3kwm h LEU 76 N 3.33 0.00 -1.07 -2.67 5.85 -1.95 -2.20 115.31 116.62 3kwm h LEU 76 Ca -0.46 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3kwm h LEU 76 Cb 1.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3kwm h LEU 76 CO 0.69 0.00 0.33 0.78 -0.34 0.00 0.00 178.44 179.89 3kwm h ASN 77 N 0.00 0.89 0.07 1.25 2.35 -1.91 0.72 115.58 118.96 3kwm h ASN 77 Ca 0.04 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3kwm h ASN 77 Cb 0.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3kwm h ASN 77 CO -0.00 0.76 -0.90 0.00 -1.65 0.00 0.00 177.43 175.64 3kwm n TYR 78 N -4.33 0.00 0.04 1.19 0.18 -1.03 -4.16 117.16 109.04 3kwm n TYR 78 Ca 0.06 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.67 3kwm n TYR 78 Cb 0.14 -0.03 -0.08 0.00 -0.38 0.00 0.00 39.34 38.99 3kwm n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3kwm h ALA 79 N 3.05 0.24 0.00 -3.48 0.00 -1.18 -3.49 119.26 114.40 3kwm h ALA 79 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kwm h ALA 79 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kwm h ALA 79 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3kwm n GLY 80 N 0.95 2.02 2.99 0.00 0.00 0.23 -4.83 105.19 106.55 3kwm n GLY 80 Ca -0.09 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 3kwm n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kwm s GLU 81 N 0.00 1.43 0.06 1.61 2.12 -1.26 -4.91 118.70 117.74 3kwm s GLU 81 Ca 0.00 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 3kwm s GLU 81 Cb 0.00 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.12 3kwm s GLU 81 CO 0.00 0.00 0.96 0.42 -0.54 0.00 0.00 175.26 176.10 3kwm s ILE 82 N 0.70 4.69 -0.09 -3.70 1.01 -0.06 -4.83 121.20 118.92 3kwm s ILE 82 Ca -0.13 2.04 -0.26 0.00 0.00 0.00 0.00 60.65 62.29 3kwm s ILE 82 Cb -0.15 -4.31 -0.26 0.00 0.01 0.00 0.00 42.46 37.75 3kwm s ILE 82 CO 0.03 0.25 0.91 0.44 0.00 0.00 0.00 174.94 176.56 3kwm h ASP 83 N 6.15 0.14 -3.25 3.58 3.32 -1.28 0.98 116.42 126.06 3kwm h ASP 83 Ca -0.42 -0.88 -0.44 0.00 0.02 0.00 0.00 57.03 55.31 3kwm h ASP 83 Cb 1.21 -0.04 -0.39 0.00 0.22 0.00 0.00 39.33 40.33 3kwm h ASP 83 CO 0.73 1.01 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.28 3kwm s LEU 84 N -8.35 0.55 -0.18 1.55 2.96 -1.02 -2.41 118.68 111.78 3kwm s LEU 84 Ca -0.17 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3kwm s LEU 84 Cb -0.01 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 3kwm s LEU 84 CO 0.73 -0.24 -0.03 -0.47 -1.32 0.00 0.00 176.35 175.01 3kwm s TYR 85 N 2.02 3.00 -0.11 5.38 6.14 -0.04 0.52 117.35 134.25 3kwm s TYR 85 Ca 0.04 -0.49 0.03 0.00 0.64 0.00 0.00 57.07 57.28 3kwm s TYR 85 Cb -0.13 -2.02 0.01 0.00 0.42 0.00 0.00 41.96 40.24 3kwm s TYR 85 CO -0.06 -0.21 -0.20 0.42 0.64 0.00 0.00 175.55 176.14 3kwm s ILE 86 N 0.77 1.83 0.18 3.14 1.01 -0.56 -0.25 121.20 127.32 3kwm s ILE 86 Ca -0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 3kwm s ILE 86 Cb -0.14 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.74 3kwm s ILE 86 CO 0.02 0.51 0.52 -0.62 0.00 0.00 0.00 174.94 175.36 3kwm s ASP 87 N 0.65 -0.30 0.31 3.58 -1.08 -0.90 -0.78 116.67 118.15 3kwm s ASP 87 Ca -0.12 -0.39 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 3kwm s ASP 87 Cb -0.16 0.57 0.03 0.00 -1.46 0.00 0.00 42.92 41.90 3kwm s ASP 87 CO 0.03 -1.02 0.24 0.61 0.52 0.00 0.00 175.17 175.55 3kwm n GLY 88 N -0.33 1.36 3.34 2.66 0.00 -1.26 -0.45 105.19 110.51 3kwm n GLY 88 Ca -0.12 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3kwm n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwm s ALA 89 N -2.52 -0.61 -0.01 4.61 0.00 -1.26 -4.83 121.76 117.15 3kwm s ALA 89 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3kwm s ALA 89 Cb -0.01 0.72 -0.26 0.00 0.00 0.00 0.00 23.12 23.57 3kwm s ALA 89 CO 0.11 -0.65 0.79 -0.44 0.00 0.00 0.00 175.76 175.56 3kwm h ASP 90 N 2.44 0.30 -4.50 0.00 3.32 -1.29 -3.48 116.42 113.20 3kwm h ASP 90 Ca -0.32 -0.46 -0.14 0.00 0.02 0.00 0.00 57.03 56.13 3kwm h ASP 90 Cb 1.24 -0.10 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 3kwm h ASP 90 CO 0.47 1.39 -0.37 -1.61 -1.72 0.00 0.00 179.24 177.40 3kwm s GLU 91 N -2.61 0.49 -0.06 3.56 2.02 -0.98 -4.67 118.70 116.45 3kwm s GLU 91 Ca -0.09 0.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.90 3kwm s GLU 91 Cb 0.07 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.55 3kwm s GLU 91 CO 0.83 -0.11 -0.02 0.00 0.02 0.00 0.00 175.26 175.98 3kwm n ASN 93 N 4.52 0.00 -0.04 0.00 0.23 -0.49 -0.90 115.26 118.58 3kwm n ASN 93 Ca -0.17 -0.07 0.14 0.00 -0.53 0.00 0.00 54.58 53.95 3kwm n ASN 93 Cb 0.50 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.89 3kwm n ASN 93 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kwm n ASN 94 N -0.22 0.20 -0.57 0.53 3.02 -1.25 -3.65 115.26 113.31 3kwm n ASN 94 Ca 0.00 -0.30 0.06 0.00 -0.03 0.00 0.00 54.58 54.31 3kwm n ASN 94 Cb 0.00 -0.19 0.19 0.00 -0.61 0.00 0.00 39.78 39.17 3kwm n ASN 94 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kwm n HIS 95 N -1.17 0.43 -2.14 3.10 8.25 -1.26 -4.95 115.22 117.48 3kwm n HIS 95 Ca 0.14 -1.18 -0.20 0.00 -0.26 0.00 0.00 57.72 56.22 3kwm n HIS 95 Cb 0.26 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 3kwm n HIS 95 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kwm n LYS 96 N -1.10 -1.65 -3.48 -0.41 5.02 -1.24 -4.83 118.16 110.47 3kwm n LYS 96 Ca 0.21 1.04 -0.38 0.00 -2.02 0.00 0.00 58.31 57.16 3kwm n LYS 96 Cb 0.78 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 30.13 3kwm n LYS 96 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kwm s GLU 97 N -4.61 4.03 0.21 1.97 2.02 -1.26 -1.39 118.70 119.67 3kwm s GLU 97 Ca 0.00 0.36 0.11 0.00 0.02 0.00 0.00 54.97 55.46 3kwm s GLU 97 Cb 0.00 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3kwm s GLU 97 CO 0.00 0.53 -0.22 -0.51 0.02 0.00 0.00 175.26 175.08 3kwm s LEU 98 N -0.53 2.48 -0.17 1.80 1.43 -0.68 -1.40 118.68 121.61 3kwm s LEU 98 Ca 0.23 -0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 3kwm s LEU 98 Cb -0.16 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 3kwm s LEU 98 CO 0.11 0.06 0.00 -0.63 0.23 0.00 0.00 176.35 176.12 3kwm s ILE 99 N -2.02 4.18 0.11 -0.59 1.01 -0.21 -1.23 121.20 122.44 3kwm s ILE 99 Ca 0.23 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3kwm s ILE 99 Cb -0.06 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kwm s ILE 99 CO 0.11 0.47 -0.08 -0.54 0.00 0.00 0.00 174.94 174.90 3kwm s LYS 100 N 0.53 0.87 0.00 2.79 1.02 0.67 -0.70 119.74 124.93 3kwm s LYS 100 Ca -0.01 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.65 3kwm s LYS 100 Cb -0.14 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 3kwm s LYS 100 CO 0.02 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 3kwm n GLY 101 N 0.01 1.24 0.36 -3.33 0.00 -1.26 -4.29 105.19 97.93 3kwm n GLY 101 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3kwm n GLY 101 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kwm h GLY 102 N 0.00 0.73 -0.89 -0.02 0.00 -1.92 -0.36 103.07 100.59 3kwm h GLY 102 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3kwm h GLY 102 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.27 3kwm n GLY 103 N -1.50 0.32 2.26 4.60 0.00 -1.26 -4.95 105.19 104.66 3kwm n GLY 103 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kwm n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwm n ALA 104 N 0.32 -0.00 -0.77 4.61 0.00 -0.15 -4.90 120.51 119.62 3kwm n ALA 104 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 3kwm n ALA 104 Cb 0.30 -0.41 0.29 0.00 0.00 0.00 0.00 19.45 19.63 3kwm n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwm n ALA 105 N 1.00 3.07 -0.33 0.00 0.00 -1.26 -4.66 120.51 118.33 3kwm n ALA 105 Ca -0.00 -1.90 0.07 0.00 0.00 0.00 0.00 53.44 51.61 3kwm n ALA 105 Cb 0.13 -0.82 0.23 0.00 0.00 0.00 0.00 19.45 19.00 3kwm n ALA 105 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3kwm h LEU 106 N 2.78 0.77 0.65 0.00 -0.00 -1.89 -2.09 115.31 115.52 3kwm h LEU 106 Ca 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 3kwm h LEU 106 Cb 1.45 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 3kwm h LEU 106 CO 0.25 0.38 -0.32 0.74 -0.00 0.00 0.00 178.44 179.48 3kwm h THR 107 N 0.84 0.34 -0.13 0.15 2.02 -1.92 0.31 112.91 114.52 3kwm h THR 107 Ca 0.48 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.57 3kwm h THR 107 Cb 0.56 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3kwm h THR 107 CO -0.30 0.00 -0.32 0.03 0.37 0.00 0.00 175.52 175.30 3kwm h ARG 108 N -0.89 0.25 -0.32 6.66 3.08 -1.77 -1.47 114.38 119.93 3kwm h ARG 108 Ca -0.09 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3kwm h ARG 108 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3kwm h ARG 108 CO 0.14 0.55 0.12 0.93 -1.07 0.00 0.00 179.97 180.63 3kwm h GLU 109 N 0.22 0.48 -0.57 0.04 5.08 -1.21 -0.17 114.58 118.45 3kwm h GLU 109 Ca 0.03 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3kwm h GLU 109 Cb 0.67 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3kwm h GLU 109 CO 0.05 0.49 0.16 -0.22 -1.00 0.00 0.00 179.01 178.49 3kwm h LYS 110 N 0.36 0.87 -0.15 2.33 3.64 -0.08 -0.87 116.57 122.66 3kwm h LYS 110 Ca 0.10 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3kwm h LYS 110 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3kwm h LYS 110 CO -0.01 0.77 0.04 0.82 -2.27 0.00 0.00 179.45 178.80 3kwm h ILE 111 N 0.84 1.20 -0.69 2.00 2.04 -1.07 -1.26 117.51 120.57 3kwm h ILE 111 Ca 0.19 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.50 3kwm h ILE 111 Cb 0.28 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 3kwm h ILE 111 CO -0.00 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.68 3kwm h VAL 113 N 0.60 1.06 -1.00 0.00 2.07 -1.03 -1.77 116.25 116.17 3kwm h VAL 113 Ca 0.33 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.85 3kwm h VAL 113 Cb 0.33 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 3kwm h VAL 113 CO -0.25 0.06 0.62 0.00 0.02 0.00 0.00 177.57 178.02 3kwm h ALA 114 N 0.99 1.63 -0.20 1.67 0.00 -0.89 -1.72 119.26 120.73 3kwm h ALA 114 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kwm h ALA 114 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kwm h ALA 114 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3kwm n ALA 115 N -2.34 2.50 -2.80 0.00 0.00 -0.64 -4.91 120.51 112.32 3kwm n ALA 115 Ca 0.22 -0.57 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 3kwm n ALA 115 Cb 0.50 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 3kwm n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwm s ALA 116 N -1.74 3.62 0.13 0.00 0.00 -0.65 -0.88 121.76 122.23 3kwm s ALA 116 Ca 0.32 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 3kwm s ALA 116 Cb 0.17 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 3kwm s ALA 116 CO 0.26 0.45 1.45 0.87 0.00 0.00 0.00 175.76 178.79 3kwm h LYS 117 N 5.65 0.86 -4.20 0.00 1.57 -0.90 -3.43 116.57 116.12 3kwm h LYS 117 Ca -0.48 -0.46 -0.45 0.00 -1.87 0.00 0.00 60.65 57.40 3kwm h LYS 117 Cb 1.20 0.02 -0.34 0.00 0.08 0.00 0.00 32.23 33.18 3kwm h LYS 117 CO 0.63 1.10 -0.79 0.15 -0.57 0.00 0.00 179.45 179.97 3kwm s LYS 118 N -4.38 1.14 -0.28 3.15 -0.14 -1.01 -5.05 119.74 113.17 3kwm s LYS 118 Ca -0.11 -0.21 -0.05 0.00 -1.36 0.00 0.00 55.97 54.24 3kwm s LYS 118 Cb 0.10 -1.06 0.02 0.00 -1.68 0.00 0.00 37.83 35.21 3kwm s LYS 118 CO 0.86 -0.06 0.04 0.12 -0.76 0.00 0.00 175.35 175.55 3kwm s PHE 119 N 0.89 3.13 -0.25 3.18 5.36 -1.26 -0.86 117.98 128.17 3kwm s PHE 119 Ca -0.11 -1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 54.59 3kwm s PHE 119 Cb -0.15 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 3kwm s PHE 119 CO 0.01 -0.63 0.12 0.42 -1.46 0.00 0.00 175.22 173.68 3kwm s ILE 120 N 1.44 4.88 -0.20 3.12 1.01 0.65 -1.36 121.20 130.74 3kwm s ILE 120 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3kwm s ILE 120 Cb -0.17 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3kwm s ILE 120 CO 0.00 0.33 0.12 0.00 0.00 0.00 0.00 174.94 175.40 3kwm s ILE 122 N 0.37 3.37 0.06 0.00 -4.36 0.40 -0.43 121.20 120.61 3kwm s ILE 122 Ca 0.08 -0.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3kwm s ILE 122 Cb -0.11 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 3kwm s ILE 122 CO -0.02 0.43 -0.06 0.27 0.24 0.00 0.00 174.94 175.81 3kwm s ILE 123 N 1.38 0.47 0.52 8.37 -4.36 -0.51 -4.14 121.20 122.93 3kwm s ILE 123 Ca 0.05 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 58.95 3kwm s ILE 123 Cb -0.14 -1.08 0.01 0.00 1.25 0.00 0.00 42.46 42.50 3kwm s ILE 123 CO -0.03 -0.67 0.77 1.51 0.24 0.00 0.00 174.94 176.76 3kwm s ASP 124 N -2.29 5.58 0.56 4.36 -4.77 -1.26 -1.28 116.67 117.57 3kwm s ASP 124 Ca -0.01 0.33 0.37 0.00 -3.30 0.00 0.00 52.55 49.95 3kwm s ASP 124 Cb -0.02 -1.40 1.93 0.00 -1.09 0.00 0.00 42.92 42.35 3kwm s ASP 124 CO -0.03 -0.95 2.14 -0.08 0.70 0.00 0.00 175.17 176.94 3kwm h GLU 125 N 0.12 0.00 0.00 2.11 4.81 -1.26 -2.17 114.58 118.19 3kwm h GLU 125 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kwm h GLU 125 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3kwm h GLU 125 CO 0.57 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.51 3kwm h SER 126 N 0.00 0.00 0.63 1.04 4.64 -1.95 -2.36 113.55 115.55 3kwm h SER 126 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kwm h SER 126 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3kwm h SER 126 CO 0.00 0.00 -0.28 0.29 -0.87 0.00 0.00 176.83 175.97 3kwm n LYS 127 N -2.75 0.12 -2.84 4.77 4.76 -0.82 -4.87 118.16 116.52 3kwm n LYS 127 Ca 0.01 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3kwm n LYS 127 Cb 0.29 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 3kwm n LYS 127 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kwm s LYS 128 N -2.92 4.23 0.26 1.97 2.47 -0.89 -0.90 119.74 123.96 3kwm s LYS 128 Ca 0.15 1.05 0.03 0.00 -1.56 0.00 0.00 55.97 55.64 3kwm s LYS 128 Cb 0.18 -3.62 -0.06 0.00 -1.46 0.00 0.00 37.83 32.87 3kwm s LYS 128 CO 0.61 -0.49 0.02 0.14 0.16 0.00 0.00 175.35 175.80 3kwm s VAL 129 N 2.71 1.04 -0.18 4.02 -7.23 -0.08 -4.95 120.40 115.74 3kwm s VAL 129 Ca 0.38 -2.03 0.10 0.00 -1.81 0.00 0.00 61.98 58.62 3kwm s VAL 129 Cb -0.16 -2.50 -0.23 0.00 0.56 0.00 0.00 36.38 34.05 3kwm s VAL 129 CO 0.09 -0.20 0.14 0.59 -0.31 0.00 0.00 175.10 175.41 3kwm n ASN 130 N -0.50 0.94 -3.97 4.85 3.02 -1.26 -3.89 115.26 114.45 3kwm n ASN 130 Ca -0.04 0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.33 3kwm n ASN 130 Cb 0.65 0.20 -0.17 0.00 -0.61 0.00 0.00 39.78 39.85 3kwm n ASN 130 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kwm s THR 131 N -2.53 1.06 0.47 3.41 2.01 -1.26 -4.48 115.64 114.32 3kwm s THR 131 Ca -0.17 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 3kwm s THR 131 Cb 0.07 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3kwm s THR 131 CO 0.76 0.35 1.18 -0.76 -0.69 0.00 0.00 174.62 175.47 3kwm s LEU 132 N 1.12 3.99 0.00 4.42 1.43 -1.25 -4.51 118.68 123.88 3kwm s LEU 132 Ca -0.06 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3kwm s LEU 132 Cb -0.14 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.83 3kwm s LEU 132 CO -0.02 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.18 3kwm n GLY 133 N 0.47 1.32 0.28 -3.19 0.00 -1.26 -0.54 105.19 102.27 3kwm n GLY 133 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3kwm n GLY 133 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kwm h ASN 134 N 0.00 0.98 -3.15 1.61 2.35 -1.79 -3.38 115.58 112.20 3kwm h ASN 134 Ca 0.00 -0.39 -0.54 0.00 -0.55 0.00 0.00 56.30 54.82 3kwm h ASN 134 Cb 0.00 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.10 3kwm h ASN 134 CO 0.00 1.18 0.61 0.12 -1.65 0.00 0.00 177.43 177.68 3kwm s PHE 135 N -4.59 3.36 0.32 1.19 5.36 -1.26 -4.91 117.98 117.45 3kwm s PHE 135 Ca -0.11 1.23 -0.29 0.00 -0.96 0.00 0.00 56.93 56.80 3kwm s PHE 135 Cb 0.12 -3.45 -0.11 0.00 -0.34 0.00 0.00 43.02 39.23 3kwm s PHE 135 CO 0.87 -1.44 1.56 -0.35 -1.46 0.00 0.00 175.22 174.40 3kwm n PRO 136 N 4.17 2.69 -2.48 10.12 -0.04 -1.26 -4.93 135.00 143.26 3kwm n PRO 136 Ca 0.10 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 64.08 3kwm n PRO 136 Cb 0.46 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 3kwm n PRO 136 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kwm s LEU 137 N -0.94 4.00 0.25 1.53 2.96 -0.39 -4.65 118.68 121.44 3kwm s LEU 137 Ca 0.61 1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 55.56 3kwm s LEU 137 Cb -0.49 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.57 3kwm s LEU 137 CO 0.53 -0.91 0.95 -2.84 -1.32 0.00 0.00 176.35 172.77 3kwm s PRO 138 N 3.78 4.84 -0.08 0.98 0.02 -1.26 -0.18 135.00 143.09 3kwm s PRO 138 Ca 0.53 1.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 3kwm s PRO 138 Cb -0.17 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.11 3kwm s PRO 138 CO 0.17 0.49 -0.02 0.42 -0.33 0.00 0.00 177.00 177.73 3kwm s ILE 139 N -1.19 0.57 0.10 2.83 1.01 0.48 -0.62 121.20 124.38 3kwm s ILE 139 Ca 0.41 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.80 3kwm s ILE 139 Cb -0.26 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.47 3kwm s ILE 139 CO 0.33 0.29 0.81 -0.70 0.00 0.00 0.00 174.94 175.66 3kwm s GLU 140 N 1.83 4.56 -0.02 2.79 2.12 0.10 -1.10 118.70 128.98 3kwm s GLU 140 Ca 0.04 1.17 -0.01 0.00 0.36 0.00 0.00 54.97 56.53 3kwm s GLU 140 Cb -0.12 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.95 3kwm s GLU 140 CO -0.06 0.37 0.05 0.08 -0.54 0.00 0.00 175.26 175.16 3kwm s VAL 141 N -0.41 -0.03 0.07 3.70 1.01 0.07 -0.56 120.40 124.24 3kwm s VAL 141 Ca 0.39 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.18 3kwm s VAL 141 Cb -0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 36.38 35.96 3kwm s VAL 141 CO 0.25 0.05 1.85 -0.38 0.00 0.00 0.00 175.10 176.88 3kwm n ILE 142 N 3.73 0.47 -0.29 2.22 2.08 0.13 -2.17 119.36 125.53 3kwm n ILE 142 Ca -0.21 -0.08 0.11 0.00 0.56 0.00 0.00 62.75 63.12 3kwm n ILE 142 Cb 0.54 -2.06 0.25 0.00 -0.75 0.00 0.00 39.64 37.62 3kwm n ILE 142 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3kwm h PRO 143 N 8.89 0.15 0.00 0.38 0.11 -1.91 -0.26 132.00 139.37 3kwm h PRO 143 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kwm h PRO 143 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kwm h PRO 143 CO 0.94 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 3kwm h MET 144 N 0.15 0.00 -0.02 1.05 -0.00 -1.98 -2.33 114.93 111.80 3kwm h MET 144 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.22 3kwm h MET 144 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 3kwm h MET 144 CO -0.69 0.00 -0.10 0.00 -0.00 0.00 0.00 176.91 176.12 3kwm n ALA 145 N -1.99 2.74 -0.06 -3.00 0.00 -0.11 -4.66 120.51 113.43 3kwm n ALA 145 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 3kwm n ALA 145 Cb 0.21 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3kwm n ALA 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kwm h ARG 146 N 3.10 -0.28 -0.32 0.00 2.43 -1.37 0.04 114.38 117.98 3kwm h ARG 146 Ca 0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3kwm h ARG 146 Cb 0.73 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3kwm h ARG 146 CO 0.00 -0.19 -0.27 0.77 -1.51 0.00 0.00 179.97 178.77 3kwm h SER 147 N -0.29 0.79 -0.51 -3.80 0.02 -1.84 -0.84 113.55 107.08 3kwm h SER 147 Ca 0.14 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3kwm h SER 147 Cb 0.51 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3kwm h SER 147 CO -0.43 1.08 0.26 0.22 -1.14 0.00 0.00 176.83 176.82 3kwm h TYR 148 N 0.51 0.47 -0.43 3.45 5.03 -1.81 -2.08 116.97 122.12 3kwm h TYR 148 Ca 0.06 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.27 3kwm h TYR 148 Cb 0.84 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 3kwm h TYR 148 CO 0.07 0.23 -0.20 0.82 -1.32 0.00 0.00 178.16 177.76 3kwm h ILE 149 N 0.50 1.28 -0.74 1.81 2.04 -0.87 -2.62 117.51 118.91 3kwm h ILE 149 Ca 0.23 -1.35 0.14 0.00 1.00 0.00 0.00 64.86 64.88 3kwm h ILE 149 Cb 0.14 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 3kwm h ILE 149 CO -0.16 0.46 0.28 0.00 0.00 0.00 0.00 178.15 178.73 3kwm h ALA 150 N 0.83 1.02 -0.40 1.87 0.00 -0.79 -0.44 119.26 121.35 3kwm h ALA 150 Ca 0.10 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3kwm h ALA 150 Cb 0.76 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3kwm h ALA 150 CO 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 179.25 178.98 3kwm h ARG 151 N 0.42 0.71 -0.43 0.00 3.08 -1.10 -2.34 114.38 114.73 3kwm h ARG 151 Ca 0.40 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3kwm h ARG 151 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3kwm h ARG 151 CO -0.41 0.80 -0.24 1.96 -1.07 0.00 0.00 179.97 181.02 3kwm h GLN 152 N 0.65 0.88 -0.70 0.04 1.08 -1.03 -3.09 115.11 112.93 3kwm h GLN 152 Ca 0.11 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 3kwm h GLN 152 Cb 0.57 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 3kwm h GLN 152 CO 0.04 1.02 0.29 0.82 -0.95 0.00 0.00 178.83 180.05 3kwm h ILE 153 N 0.76 1.24 -0.98 2.54 2.04 -0.87 -2.49 117.51 119.75 3kwm h ILE 153 Ca 0.10 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.27 3kwm h ILE 153 Cb 0.79 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3kwm h ILE 153 CO 0.07 0.29 0.64 0.58 0.00 0.00 0.00 178.15 179.73 3kwm h VAL 154 N 1.01 1.16 0.00 1.67 2.07 -1.35 -1.06 116.25 119.75 3kwm h VAL 154 Ca 0.24 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3kwm h VAL 154 Cb 0.17 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3kwm h VAL 154 CO -0.02 0.22 -0.10 0.11 0.02 0.00 0.00 177.57 177.80 3kwm h LYS 155 N 1.23 0.00 -0.12 1.57 1.57 -1.38 -1.40 116.57 118.05 3kwm h LYS 155 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kwm h LYS 155 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3kwm h LYS 155 CO -0.12 0.10 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 3kwm n LEU 156 N -3.39 1.25 0.00 2.94 4.77 -0.63 -4.91 117.00 117.03 3kwm n LEU 156 Ca -0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3kwm n LEU 156 Cb 0.27 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kwm n LEU 156 CO 0.29 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3kwm n GLY 157 N 1.05 0.61 3.98 -0.72 0.00 -0.53 -5.04 105.19 104.54 3kwm n GLY 157 Ca 0.16 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 3kwm n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwm s GLY 158 N -2.36 1.47 -0.47 -0.02 0.00 -0.50 -4.49 107.32 100.96 3kwm s GLY 158 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.46 3kwm s GLY 158 CO 0.00 -1.22 0.20 1.62 0.00 0.00 0.00 173.10 173.70 3kwm s GLN 159 N -4.20 1.86 0.14 2.90 0.74 0.05 -3.92 119.66 117.22 3kwm s GLN 159 Ca 0.42 -2.36 -0.30 0.00 0.05 0.00 0.00 55.36 53.17 3kwm s GLN 159 Cb -0.09 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 3kwm s GLN 159 CO 0.32 -1.06 0.95 -1.25 -0.55 0.00 0.00 175.29 173.70 3kwm s PRO 160 N 0.14 4.72 -0.12 1.67 0.04 -1.26 -1.27 135.00 138.91 3kwm s PRO 160 Ca 0.15 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3kwm s PRO 160 Cb -0.23 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 30.98 3kwm s PRO 160 CO -0.03 0.29 -0.05 0.08 0.04 0.00 0.00 177.00 177.33 3kwm s VAL 161 N -0.27 0.89 0.08 -0.36 1.01 0.72 -4.96 120.40 117.51 3kwm s VAL 161 Ca 0.45 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 3kwm s VAL 161 Cb -0.24 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 3kwm s VAL 161 CO 0.30 0.27 1.83 -0.47 0.00 0.00 0.00 175.10 177.04 3kwm s TYR 162 N 1.76 1.94 -0.49 5.22 5.04 -1.26 -0.98 117.35 128.57 3kwm s TYR 162 Ca 0.04 -0.09 -0.28 0.00 -2.44 0.00 0.00 57.07 54.30 3kwm s TYR 162 Cb -0.13 -4.16 0.01 0.00 0.35 0.00 0.00 41.96 38.03 3kwm s TYR 162 CO -0.07 -4.87 1.47 0.50 -1.34 0.00 0.00 175.55 171.23 3kwm s ARG 163 N 3.26 3.37 0.31 4.97 3.52 -0.39 -4.93 118.95 129.06 3kwm s ARG 163 Ca 0.82 0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 56.84 3kwm s ARG 163 Cb -0.44 -4.11 -0.12 0.00 -1.56 0.00 0.00 34.95 28.73 3kwm s ARG 163 CO 0.37 -1.84 1.44 -1.91 -0.81 0.00 0.00 175.30 172.55 3kwm n GLU 164 N 8.45 2.37 -3.84 5.12 4.07 -1.26 -3.48 120.64 132.08 3kwm n GLU 164 Ca 0.15 0.84 -0.30 0.00 -0.06 0.00 0.00 57.16 57.79 3kwm n GLU 164 Cb 0.49 -2.52 0.02 0.00 -0.06 0.00 0.00 31.44 29.36 3kwm n GLU 164 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3kwm n GLN 165 N 1.32 -5.08 -4.10 5.31 6.02 -1.26 -4.96 117.38 114.62 3kwm n GLN 165 Ca 0.07 0.58 -0.27 0.00 -0.01 0.00 0.00 57.00 57.37 3kwm n GLN 165 Cb 0.36 -5.44 -0.17 0.00 1.02 0.00 0.00 30.24 26.01 3kwm n GLN 165 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kwm s THR 166 N -3.25 1.12 -0.07 5.09 2.01 -1.23 -5.12 115.64 114.20 3kwm s THR 166 Ca 0.63 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3kwm s THR 166 Cb -0.32 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 3kwm s THR 166 CO 0.78 0.37 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.23 3kwm s ILE 167 N 1.41 1.87 0.81 1.82 -1.09 -1.26 -4.52 121.20 120.23 3kwm s ILE 167 Ca -0.00 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.36 3kwm s ILE 167 Cb -0.13 -1.60 0.08 0.00 -1.58 0.00 0.00 42.46 39.22 3kwm s ILE 167 CO -0.05 0.52 1.11 0.42 -1.23 0.00 0.00 174.94 175.71 3kwm s THR 168 N 0.10 2.82 0.61 2.92 -4.23 -0.20 -4.89 115.64 112.76 3kwm s THR 168 Ca -0.09 0.26 0.28 0.00 -1.18 0.00 0.00 61.69 60.96 3kwm s THR 168 Cb -0.15 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 70.97 3kwm s THR 168 CO 0.05 -0.35 1.86 0.44 -0.54 0.00 0.00 174.62 176.09 3kwm h ASP 169 N -1.10 0.00 -0.31 3.99 3.45 -1.91 -0.04 116.42 120.50 3kwm h ASP 169 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3kwm h ASP 169 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3kwm h ASP 169 CO 0.61 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.87 3kwm n ASN 170 N -3.45 2.60 -0.07 6.45 3.02 -1.26 -4.94 115.26 117.61 3kwm n ASN 170 Ca 0.06 -1.88 -0.01 0.00 -0.03 0.00 0.00 54.58 52.72 3kwm n ASN 170 Cb 0.63 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3kwm n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kwm n GLY 171 N 1.32 0.48 3.88 7.41 0.00 -0.03 -5.05 105.19 113.20 3kwm n GLY 171 Ca 0.18 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3kwm n GLY 171 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwm s ASN 172 N -2.71 5.08 0.35 1.61 0.01 -1.26 -4.81 114.94 113.21 3kwm s ASN 172 Ca 0.00 -0.72 0.07 0.00 -0.71 0.00 0.00 52.86 51.50 3kwm s ASN 172 Cb 0.00 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 3kwm s ASN 172 CO 0.00 -0.63 0.32 0.68 -1.51 0.00 0.00 177.10 175.96 3kwm s VAL 173 N -2.46 3.41 -0.07 1.60 -7.23 -0.92 -1.03 120.40 113.71 3kwm s VAL 173 Ca 0.48 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 59.35 3kwm s VAL 173 Cb -0.03 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 3kwm s VAL 173 CO 0.28 -0.14 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.07 3kwm s ILE 174 N -2.33 2.27 -0.18 -0.62 -1.09 -1.26 -0.75 121.20 117.24 3kwm s ILE 174 Ca 0.42 -0.99 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 3kwm s ILE 174 Cb -0.06 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 3kwm s ILE 174 CO 0.27 0.57 0.01 -0.76 -1.23 0.00 0.00 174.94 173.80 3kwm s LEU 175 N -0.15 3.47 -0.21 2.97 1.43 -0.26 -1.26 118.68 124.67 3kwm s LEU 175 Ca -0.03 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3kwm s LEU 175 Cb -0.14 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3kwm s LEU 175 CO 0.04 0.14 0.23 -1.81 0.23 0.00 0.00 176.35 175.18 3kwm s ASP 176 N 0.55 6.25 -0.27 2.29 1.01 -0.15 -0.38 116.67 125.96 3kwm s ASP 176 Ca 0.00 0.28 -0.05 0.00 0.71 0.00 0.00 52.55 53.48 3kwm s ASP 176 Cb -0.14 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.66 3kwm s ASP 176 CO 0.02 0.05 0.03 -0.69 0.21 0.00 0.00 175.17 174.79 3kwm s VAL 177 N 0.94 3.66 0.42 -1.27 1.01 0.74 -0.20 120.40 125.69 3kwm s VAL 177 Ca 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3kwm s VAL 177 Cb -0.13 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3kwm s VAL 177 CO 0.04 0.17 0.61 -0.31 0.00 0.00 0.00 175.10 175.61 3kwm s TYR 178 N 1.46 3.20 0.00 5.22 2.02 -0.40 -1.26 117.35 127.59 3kwm s TYR 178 Ca 0.03 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3kwm s TYR 178 Cb -0.17 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 3kwm s TYR 178 CO 0.00 -0.25 0.00 0.09 -1.57 0.00 0.00 175.55 173.82 3kwm n ASN 179 N -1.95 0.00 -4.73 2.29 5.03 -1.26 -0.77 115.26 113.87 3kwm n ASN 179 Ca 0.01 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3kwm n ASN 179 Cb 0.58 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.30 3kwm n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kwm s LEU 180 N 0.00 4.44 -0.64 3.41 1.43 -1.26 -4.90 118.68 121.16 3kwm s LEU 180 Ca 0.00 1.94 -0.07 0.00 -1.03 0.00 0.00 54.13 54.96 3kwm s LEU 180 Cb 0.00 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.80 3kwm s LEU 180 CO 0.00 -0.25 0.51 -0.54 0.23 0.00 0.00 176.35 176.29 3kwm s LYS 181 N 0.28 2.83 -1.35 1.70 -0.14 -1.26 -4.27 119.74 117.53 3kwm s LYS 181 Ca 0.52 -2.33 -0.15 0.00 -1.36 0.00 0.00 55.97 52.65 3kwm s LYS 181 Cb -0.27 -3.97 0.09 0.00 -1.68 0.00 0.00 37.83 32.00 3kwm s LYS 181 CO 0.31 -1.21 1.91 -0.89 -0.76 0.00 0.00 175.35 174.71 3kwm n ILE 182 N 3.97 3.86 0.18 2.17 5.41 0.30 -4.67 119.36 130.58 3kwm n ILE 182 Ca 0.06 -3.82 0.05 0.00 1.00 0.00 0.00 62.75 60.04 3kwm n ILE 182 Cb 0.41 -2.46 0.28 0.00 -0.71 0.00 0.00 39.64 37.16 3kwm n ILE 182 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3kwm h ASP 183 N 6.63 0.00 -2.87 4.38 -0.00 -1.95 -3.34 116.42 119.27 3kwm h ASP 183 Ca 0.47 0.00 -0.61 0.00 -0.00 0.00 0.00 57.03 56.89 3kwm h ASP 183 Cb 0.75 0.00 -0.41 0.00 -0.00 0.00 0.00 39.33 39.66 3kwm h ASP 183 CO 1.62 0.40 -0.65 -3.20 -0.00 0.00 0.00 179.24 177.41 3kwm n ASN 184 N -3.46 2.46 -0.06 4.15 2.85 -1.26 -4.98 115.26 114.95 3kwm n ASN 184 Ca 0.00 -3.09 0.04 0.00 -0.11 0.00 0.00 54.58 51.42 3kwm n ASN 184 Cb 0.55 -0.72 0.38 0.00 1.24 0.00 0.00 39.78 41.24 3kwm n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kwm h PRO 185 N 5.29 0.65 -0.65 1.20 0.11 -1.98 -1.77 132.00 134.85 3kwm h PRO 185 Ca 0.17 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3kwm h PRO 185 Cb 0.77 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 3kwm h PRO 185 CO 0.67 0.43 0.33 -0.07 -0.21 0.00 0.00 178.00 179.14 3kwm h LEU 186 N 0.67 0.84 -0.04 2.35 3.38 -1.94 0.07 115.31 120.64 3kwm h LEU 186 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kwm h LEU 186 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3kwm h LEU 186 CO -0.05 0.72 -0.02 0.50 0.09 0.00 0.00 178.44 179.69 3kwm h LYS 187 N 0.90 0.08 -0.61 1.13 3.64 -1.83 -2.69 116.57 117.20 3kwm h LYS 187 Ca 0.23 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3kwm h LYS 187 Cb 0.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3kwm h LYS 187 CO -0.03 0.47 0.20 1.25 -2.27 0.00 0.00 179.45 179.07 3kwm h LEU 188 N -0.31 0.88 -0.67 5.20 5.85 -1.30 -1.31 115.31 123.64 3kwm h LEU 188 Ca 0.01 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3kwm h LEU 188 Cb 0.45 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3kwm h LEU 188 CO 0.01 0.85 0.41 -0.08 -0.34 0.00 0.00 178.44 179.28 3kwm h GLU 189 N 0.86 0.76 -0.25 1.25 4.81 -1.04 -0.08 114.58 120.89 3kwm h GLU 189 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kwm h GLU 189 Cb 0.28 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3kwm h GLU 189 CO -0.01 0.50 0.12 1.15 -0.73 0.00 0.00 179.01 180.05 3kwm h THR 190 N 0.78 1.14 -0.06 0.32 2.02 -1.24 -2.20 112.91 113.67 3kwm h THR 190 Ca 0.28 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 3kwm h THR 190 Cb 0.08 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kwm h THR 190 CO -0.13 0.14 -0.57 1.05 0.37 0.00 0.00 175.52 176.37 3kwm h GLU 191 N 0.28 0.19 -0.10 6.66 4.11 -0.90 -2.91 114.58 121.91 3kwm h GLU 191 Ca 0.09 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 3kwm h GLU 191 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kwm h GLU 191 CO -0.01 0.71 -0.38 -0.07 0.07 0.00 0.00 179.01 179.33 3kwm h LEU 192 N 0.14 0.21 -2.61 3.06 3.38 -1.00 -2.51 115.31 115.99 3kwm h LEU 192 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kwm h LEU 192 Cb 1.05 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kwm h LEU 192 CO 0.09 0.58 -0.01 0.78 0.09 0.00 0.00 178.44 179.96 3kwm h ASN 193 N 0.18 0.00 0.89 -0.43 2.35 -1.19 -2.58 115.58 114.80 3kwm h ASN 193 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3kwm h ASN 193 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3kwm h ASN 193 CO 0.06 0.01 -0.26 0.00 -1.65 0.00 0.00 177.43 175.59 3kwm n GLN 194 N -3.33 0.09 -2.75 0.81 1.13 -0.94 -4.84 117.38 107.55 3kwm n GLN 194 Ca -0.03 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 3kwm n GLN 194 Cb 0.11 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 3kwm n GLN 194 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kwm s ILE 195 N -3.04 4.75 0.13 5.09 1.01 -0.98 -4.98 121.20 123.17 3kwm s ILE 195 Ca 0.11 1.86 -0.31 0.00 0.00 0.00 0.00 60.65 62.31 3kwm s ILE 195 Cb 0.17 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 3kwm s ILE 195 CO 0.62 -0.12 1.83 0.41 0.00 0.00 0.00 174.94 177.68 3kwm n THR 196 N 5.23 0.35 0.00 2.92 -1.04 -1.26 -2.10 114.28 118.38 3kwm n THR 196 Ca 0.09 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3kwm n THR 196 Cb 0.47 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 3kwm n THR 196 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kwm n GLY 197 N 4.22 2.21 3.69 3.41 0.00 -1.26 -4.84 105.19 112.62 3kwm n GLY 197 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kwm n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwm s VAL 198 N -2.51 3.79 -0.16 1.61 1.01 -0.89 -0.70 120.40 122.55 3kwm s VAL 198 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 3kwm s VAL 198 Cb 0.00 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3kwm s VAL 198 CO 0.00 0.00 0.08 0.58 0.00 0.00 0.00 175.10 175.77 3kwm h VAL 199 N 4.89 0.51 -2.89 2.92 2.07 -1.17 -3.48 116.25 119.10 3kwm h VAL 199 Ca -0.38 -1.55 -0.14 0.00 0.82 0.00 0.00 66.70 65.45 3kwm h VAL 199 Cb 1.18 1.13 -0.25 0.00 -1.52 0.00 0.00 31.29 31.83 3kwm h VAL 199 CO 0.89 0.17 -0.31 -0.89 0.02 0.00 0.00 177.57 177.46 3kwm s THR 200 N -2.18 -0.00 0.16 2.57 2.01 -1.15 -5.02 115.64 112.03 3kwm s THR 200 Ca -0.18 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3kwm s THR 200 Cb 0.03 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 3kwm s THR 200 CO 0.37 0.00 0.20 0.54 -0.69 0.00 0.00 174.62 175.04 3kwm s ASN 201 N 0.21 5.86 -0.01 3.53 2.20 -1.26 0.01 114.94 125.49 3kwm s ASN 201 Ca -0.00 -0.01 0.06 0.00 -0.94 0.00 0.00 52.86 51.97 3kwm s ASN 201 Cb -0.03 -1.64 0.18 0.00 -2.00 0.00 0.00 41.25 37.77 3kwm s ASN 201 CO 0.00 0.06 1.11 0.61 -2.94 0.00 0.00 177.10 175.94 3kwm n GLY 202 N -0.48 0.21 3.64 0.45 0.00 0.21 -4.77 105.19 104.46 3kwm n GLY 202 Ca -0.08 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3kwm n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kwm s ILE 203 N -1.70 4.71 -0.86 -0.61 1.01 -1.26 -0.24 121.20 122.26 3kwm s ILE 203 Ca 0.14 1.63 -0.06 0.00 0.00 0.00 0.00 60.65 62.36 3kwm s ILE 203 Cb 0.08 -4.25 0.22 0.00 0.01 0.00 0.00 42.46 38.52 3kwm s ILE 203 CO 0.09 -0.24 0.76 -0.36 0.00 0.00 0.00 174.94 175.18 3kwm s PHE 204 N 3.16 3.82 0.00 3.97 2.99 -0.37 -4.79 117.98 126.76 3kwm s PHE 204 Ca 0.39 -2.64 0.00 0.00 0.00 0.00 0.00 56.93 54.68 3kwm s PHE 204 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 43.02 39.39 3kwm s PHE 204 CO 0.10 -0.86 0.00 0.00 -0.00 0.00 0.00 175.22 174.46 3kwm n ALA 205 N 3.07 2.23 -0.02 5.36 0.00 -1.26 -1.69 120.51 128.20 3kwm n ALA 205 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3kwm n ALA 205 Cb 0.40 0.26 0.40 0.00 0.00 0.00 0.00 19.45 20.50 3kwm n ALA 205 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kwm h LEU 206 N 0.00 0.51 -7.21 0.00 3.38 -1.89 -3.15 115.31 106.96 3kwm h LEU 206 Ca 0.00 -0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.32 3kwm h LEU 206 Cb 0.51 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 40.73 3kwm h LEU 206 CO 0.00 0.38 -0.68 -0.75 0.09 0.00 0.00 178.44 177.48 3kwm s LYS 207 N -5.50 1.67 0.98 1.13 2.20 -1.26 -5.13 119.74 113.83 3kwm s LYS 207 Ca -0.08 -2.34 -0.15 0.00 -0.36 0.00 0.00 55.97 53.03 3kwm s LYS 207 Cb 0.17 -2.88 0.19 0.00 -1.51 0.00 0.00 37.83 33.80 3kwm s LYS 207 CO 0.74 -1.13 1.23 -1.25 -0.36 0.00 0.00 175.35 174.58 3kwm s PRO 208 N 0.00 0.54 0.45 4.03 0.04 -1.19 -4.89 135.00 133.97 3kwm s PRO 208 Ca 0.17 -0.16 -0.24 0.00 0.04 0.00 0.00 61.00 60.81 3kwm s PRO 208 Cb -0.25 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3kwm s PRO 208 CO 0.00 -2.52 1.28 0.00 0.04 0.00 0.00 177.00 175.80 3kwm s ALA 209 N -3.58 3.10 0.01 8.56 0.00 -0.49 -4.92 121.76 124.45 3kwm s ALA 209 Ca 0.70 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 53.67 3kwm s ALA 209 Cb -0.08 -3.47 -0.34 0.00 0.00 0.00 0.00 23.12 19.22 3kwm s ALA 209 CO 0.53 -0.89 0.93 -0.44 0.00 0.00 0.00 175.76 175.90 3kwm h ASP 210 N 2.28 0.76 -4.09 0.00 3.32 -1.55 -3.46 116.42 113.68 3kwm h ASP 210 Ca -0.50 -0.93 -0.38 0.00 0.02 0.00 0.00 57.03 55.24 3kwm h ASP 210 Cb 1.26 -0.25 -0.28 0.00 0.22 0.00 0.00 39.33 40.28 3kwm h ASP 210 CO 0.61 1.68 -0.78 -0.89 -1.72 0.00 0.00 179.24 178.14 3kwm s THR 211 N -2.57 0.70 -0.10 0.35 2.01 -0.95 -5.03 115.64 110.04 3kwm s THR 211 Ca -0.11 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.47 3kwm s THR 211 Cb 0.04 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 3kwm s THR 211 CO 0.92 0.14 -0.23 -0.69 -0.69 0.00 0.00 174.62 174.07 3kwm s VAL 212 N -0.32 2.11 -0.26 3.82 1.01 -0.44 -0.79 120.40 125.53 3kwm s VAL 212 Ca 0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3kwm s VAL 212 Cb -0.04 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3kwm s VAL 212 CO -0.00 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 175.06 3kwm s ILE 213 N 0.37 3.77 -0.17 2.22 1.01 0.43 -0.72 121.20 128.11 3kwm s ILE 213 Ca -0.18 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 3kwm s ILE 213 Cb -0.18 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 3kwm s ILE 213 CO 0.08 0.23 -0.13 -0.32 0.00 0.00 0.00 174.94 174.80 3kwm s MET 214 N 1.50 3.24 -0.31 2.79 1.75 -0.14 -1.42 119.30 126.71 3kwm s MET 214 Ca 0.04 -0.72 -0.21 0.00 -1.25 0.00 0.00 55.69 53.55 3kwm s MET 214 Cb -0.16 -2.72 -0.01 0.00 2.84 0.00 0.00 34.83 34.79 3kwm s MET 214 CO 0.00 -0.05 0.65 0.00 -0.65 0.00 0.00 175.02 174.97 3kwm s ALA 215 N 1.01 3.52 0.67 4.11 0.00 -0.41 -0.81 121.76 129.86 3kwm s ALA 215 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 3kwm s ALA 215 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3kwm s ALA 215 CO -0.02 -1.11 1.05 0.95 0.00 0.00 0.00 175.76 176.62 3kwm s THR 216 N 2.65 3.66 0.63 0.00 -4.23 -0.12 -0.71 115.64 117.53 3kwm s THR 216 Ca 0.26 0.42 0.40 0.00 -1.18 0.00 0.00 61.69 61.58 3kwm s THR 216 Cb -0.15 -3.52 0.42 0.00 1.34 0.00 0.00 72.50 70.59 3kwm s THR 216 CO 0.12 -0.65 2.33 0.11 -0.54 0.00 0.00 174.62 175.99 3kwm h LYS 217 N -0.51 0.00 -0.74 3.99 1.57 -1.97 0.55 116.57 119.47 3kwm h LYS 217 Ca -0.45 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.15 3kwm h LYS 217 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 3kwm h LYS 217 CO 0.63 0.00 0.23 -0.40 -0.57 0.00 0.00 179.45 179.35 3kwm n ASP 218 N -3.33 5.01 -1.74 0.86 3.85 -1.26 -4.94 116.55 114.99 3kwm n ASP 218 Ca -0.03 -3.17 -0.15 0.00 -0.71 0.00 0.00 54.79 50.73 3kwm n ASP 218 Cb 0.08 -0.74 -0.01 0.00 -1.35 0.00 0.00 41.12 39.10 3kwm n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kwm n SER 219 N -0.01 -4.57 -4.91 -1.12 7.64 0.19 -5.03 113.62 105.81 3kwm n SER 219 Ca 0.39 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 60.04 3kwm n SER 219 Cb 1.37 -3.71 -0.03 0.00 -1.01 0.00 0.00 64.21 60.83 3kwm n SER 219 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3kwm s ASN 220 N -2.33 5.90 -0.20 6.43 3.84 -1.25 -4.89 114.94 122.43 3kwm s ASN 220 Ca 0.01 -0.13 -0.04 0.00 0.21 0.00 0.00 52.86 52.90 3kwm s ASN 220 Cb -0.00 -1.53 -0.02 0.00 -0.55 0.00 0.00 41.25 39.15 3kwm s ASN 220 CO 0.01 -0.14 -0.02 -0.63 -2.79 0.00 0.00 177.10 173.52 3kwm s ILE 221 N -2.09 3.66 -0.17 -5.21 1.01 -1.26 -0.94 121.20 116.20 3kwm s ILE 221 Ca 0.36 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3kwm s ILE 221 Cb -0.08 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3kwm s ILE 221 CO 0.28 0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 174.91 3kwm s VAL 222 N 1.16 3.64 -0.23 2.92 1.01 0.01 -4.98 120.40 123.94 3kwm s VAL 222 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 3kwm s VAL 222 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3kwm s VAL 222 CO 0.00 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.98 3kwm s VAL 223 N 0.66 4.74 -2.44 2.92 1.01 -1.26 -0.96 120.40 125.07 3kwm s VAL 223 Ca -0.03 -0.03 0.19 0.00 0.00 0.00 0.00 61.98 62.11 3kwm s VAL 223 Cb -0.15 -3.20 0.15 0.00 0.00 0.00 0.00 36.38 33.19 3kwm s VAL 223 CO 0.02 0.37 1.12 0.18 0.00 0.00 0.00 175.10 176.79