#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwm s ASN 8 N 0.00 4.99 0.25 6.41 2.20 -1.26 -4.83 114.94 122.70 3kwm s ASN 8 Ca 0.00 0.08 -0.03 0.00 -0.94 0.00 0.00 52.86 51.97 3kwm s ASN 8 Cb 0.00 -0.82 0.48 0.00 -2.00 0.00 0.00 41.25 38.91 3kwm s ASN 8 CO 0.00 -1.39 1.74 -0.61 -2.94 0.00 0.00 177.10 173.90 3kwm h GLN 9 N -0.22 0.50 -0.68 3.55 4.15 -2.01 -1.17 115.11 119.22 3kwm h GLN 9 Ca -0.42 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 3kwm h GLN 9 Cb 1.30 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 3kwm h GLN 9 CO 0.53 0.33 0.32 -0.44 -1.93 0.00 0.00 178.83 177.63 3kwm h ASP 10 N 0.52 0.91 -0.78 -0.69 3.45 -1.99 0.68 116.42 118.52 3kwm h ASP 10 Ca 0.43 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 3kwm h ASP 10 Cb 0.62 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.12 3kwm h ASP 10 CO -0.38 0.79 0.43 -0.33 -1.57 0.00 0.00 179.24 178.18 3kwm h GLU 11 N 0.95 1.08 -0.37 3.56 5.08 -1.74 -1.46 114.58 121.69 3kwm h GLU 11 Ca 0.23 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3kwm h GLU 11 Cb 0.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3kwm h GLU 11 CO -0.03 0.80 0.13 -0.07 -1.00 0.00 0.00 179.01 178.84 3kwm h LEU 12 N 1.07 0.52 -0.43 1.33 3.38 -0.90 0.44 115.31 120.72 3kwm h LEU 12 Ca 0.27 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kwm h LEU 12 Cb 0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3kwm h LEU 12 CO -0.04 0.57 0.12 0.11 0.09 0.00 0.00 178.44 179.29 3kwm h LYS 13 N 0.44 0.26 -0.30 1.13 1.57 -0.63 -0.50 116.57 118.54 3kwm h LYS 13 Ca 0.12 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3kwm h LYS 13 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3kwm h LYS 13 CO -0.01 0.17 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.56 3kwm h LYS 14 N 0.27 0.60 -0.26 3.15 3.64 -1.09 -1.10 116.57 121.78 3kwm h LYS 14 Ca 0.21 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3kwm h LYS 14 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3kwm h LYS 14 CO -0.24 0.81 0.13 1.25 -2.27 0.00 0.00 179.45 179.13 3kwm h LEU 15 N 0.53 0.33 -0.36 5.20 5.85 -0.41 0.88 115.31 127.32 3kwm h LEU 15 Ca 0.07 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kwm h LEU 15 Cb 0.73 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3kwm h LEU 15 CO 0.06 0.34 0.21 0.00 -0.34 0.00 0.00 178.44 178.70 3kwm h ALA 16 N 1.00 0.46 -0.42 1.25 0.00 -0.96 -1.79 119.26 118.80 3kwm h ALA 16 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kwm h ALA 16 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kwm h ALA 16 CO -0.01 -0.02 0.23 0.00 0.00 0.00 0.00 179.25 179.45 3kwm h ALA 17 N 1.07 0.54 -0.63 0.00 0.00 -1.07 -1.19 119.26 117.98 3kwm h ALA 17 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kwm h ALA 17 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kwm h ALA 17 CO -0.02 0.06 0.41 1.15 0.00 0.00 0.00 179.25 180.84 3kwm h THR 18 N 0.54 1.13 -0.43 0.00 2.02 -0.72 -1.83 112.91 113.64 3kwm h THR 18 Ca 0.15 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 3kwm h THR 18 Cb 0.05 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3kwm h THR 18 CO -0.02 0.15 -0.06 -0.08 0.37 0.00 0.00 175.52 175.88 3kwm h GLU 19 N 0.82 0.79 -0.56 6.66 4.57 -1.14 -3.00 114.58 122.72 3kwm h GLU 19 Ca 0.24 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3kwm h GLU 19 Cb -0.05 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3kwm h GLU 19 CO -0.07 0.89 0.32 0.00 -1.18 0.00 0.00 179.01 178.97 3kwm h ALA 20 N 0.87 0.73 -0.01 2.92 0.00 -1.03 -2.72 119.26 120.03 3kwm h ALA 20 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kwm h ALA 20 Cb 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kwm h ALA 20 CO 0.03 0.00 0.01 0.00 0.00 0.00 0.00 179.25 179.30 3kwm h ALA 21 N 1.28 1.37 0.00 0.00 0.00 -1.19 -1.65 119.26 119.07 3kwm h ALA 21 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kwm h ALA 21 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kwm h ALA 21 CO -0.14 -0.02 -0.01 0.87 0.00 0.00 0.00 179.25 179.95 3kwm h LYS 22 N 0.00 0.00 0.00 0.00 1.57 -1.44 -1.39 116.57 115.31 3kwm h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kwm h LYS 22 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kwm h LYS 22 CO -0.00 0.01 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 3kwm n SER 23 N -3.20 0.00 -4.49 0.86 7.64 -0.62 -4.36 113.62 109.46 3kwm n SER 23 Ca -0.02 -0.65 -0.44 0.00 1.01 0.00 0.00 58.87 58.77 3kwm n SER 23 Cb 0.14 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3kwm n SER 23 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kwm s ILE 24 N -2.19 4.72 -0.45 0.44 1.01 -0.53 -4.71 121.20 119.49 3kwm s ILE 24 Ca 0.39 -2.10 0.13 0.00 0.00 0.00 0.00 60.65 59.06 3kwm s ILE 24 Cb 0.20 -4.94 -0.16 0.00 0.01 0.00 0.00 42.46 37.57 3kwm s ILE 24 CO 0.37 -1.68 0.48 0.35 0.00 0.00 0.00 174.94 174.46 3kwm n THR 25 N 5.31 0.00 -4.14 2.92 -2.24 -1.26 -5.02 114.28 109.84 3kwm n THR 25 Ca 0.35 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 3kwm n THR 25 Cb 0.46 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3kwm n THR 25 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kwm s THR 26 N -2.44 0.00 -0.26 4.28 -1.32 -1.26 -5.11 115.64 109.52 3kwm s THR 26 Ca 0.02 -1.73 -0.29 0.00 -1.21 0.00 0.00 61.69 58.49 3kwm s THR 26 Cb 0.10 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.49 3kwm s THR 26 CO 0.55 0.00 1.83 -1.83 -2.21 0.00 0.00 174.62 172.96 3kwm s GLU 27 N -3.30 3.46 0.21 7.08 -1.05 -1.25 -4.72 118.70 119.11 3kwm s GLU 27 Ca 0.34 1.65 0.05 0.00 -0.15 0.00 0.00 54.97 56.86 3kwm s GLU 27 Cb 0.01 -4.18 -0.05 0.00 -0.44 0.00 0.00 34.13 29.47 3kwm s GLU 27 CO 0.21 -1.71 -0.08 0.96 0.95 0.00 0.00 175.26 175.59 3kwm s ILE 28 N 6.57 1.35 -0.36 1.83 -4.36 -0.34 -4.90 121.20 120.99 3kwm s ILE 28 Ca 0.82 -2.10 -0.23 0.00 -0.26 0.00 0.00 60.65 58.87 3kwm s ILE 28 Cb -0.26 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.33 3kwm s ILE 28 CO 0.33 -0.52 0.80 -0.89 0.24 0.00 0.00 174.94 174.90 3kwm s THR 29 N -3.22 4.72 -0.17 8.37 2.01 -1.26 -1.68 115.64 124.41 3kwm s THR 29 Ca 0.23 0.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.10 3kwm s THR 29 Cb 0.03 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 3kwm s THR 29 CO 0.06 -0.43 0.09 -0.22 -0.69 0.00 0.00 174.62 173.43 3kwm s LEU 30 N 3.13 3.99 -0.14 4.42 2.96 0.13 -0.81 118.68 132.36 3kwm s LEU 30 Ca 0.32 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 3kwm s LEU 30 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3kwm s LEU 30 CO 0.17 0.23 0.10 -0.83 -1.32 0.00 0.00 176.35 174.70 3kwm s GLY 31 N 0.03 2.03 -0.11 7.98 0.00 0.35 0.35 107.32 117.96 3kwm s GLY 31 Ca 0.07 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3kwm s GLY 31 CO 0.00 -0.24 -0.20 0.14 0.00 0.00 0.00 173.10 172.80 3kwm s VAL 32 N -0.49 2.43 0.00 1.40 1.01 0.59 -1.99 120.40 123.35 3kwm s VAL 32 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3kwm s VAL 32 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3kwm s VAL 32 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3kwm n GLY 33 N 3.46 -1.40 3.03 4.51 0.00 0.06 -1.47 105.19 113.37 3kwm n GLY 33 Ca -0.19 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 0.13 0.00 2.61 2.01 -1.26 -4.52 115.64 114.61 3kwm s THR 34 Ca 0.00 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3kwm s THR 34 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.91 3kwm s THR 34 CO 0.00 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 3kwm n GLY 35 N 1.20 -1.69 0.22 4.40 0.00 -1.26 -4.52 105.19 103.53 3kwm n GLY 35 Ca -0.21 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 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 0.75 -0.17 1.61 4.64 -2.00 -1.05 113.55 117.33 3kwm h SER 36 Ca 0.00 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 3kwm h SER 36 Cb 0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3kwm h SER 36 CO 0.00 1.21 0.03 0.74 -0.87 0.00 0.00 176.83 177.93 3kwm h THR 37 N 0.48 1.22 0.00 2.95 2.02 -1.93 -2.82 112.91 114.83 3kwm h THR 37 Ca -0.01 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3kwm h THR 37 Cb 1.23 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3kwm h THR 37 CO 0.13 0.22 -0.07 0.58 0.37 0.00 0.00 175.52 176.74 3kwm h VAL 38 N 0.08 0.70 -0.94 3.16 2.07 -1.77 -2.59 116.25 116.95 3kwm h VAL 38 Ca 0.05 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3kwm h VAL 38 Cb 0.31 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3kwm h VAL 38 CO 0.00 0.07 0.61 1.23 0.02 0.00 0.00 177.57 179.51 3kwm h GLY 39 N 0.39 1.37 1.05 2.17 0.00 -0.92 0.15 103.07 107.27 3kwm h GLY 39 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3kwm h GLY 39 CO 0.01 0.40 0.24 0.74 0.00 0.00 0.00 176.54 177.93 3kwm h PHE 40 N 1.19 1.16 -0.02 5.60 0.04 -1.48 -2.68 116.94 120.75 3kwm h PHE 40 Ca 0.37 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 61.03 3kwm h PHE 40 Cb -0.01 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.81 3kwm h PHE 40 CO -0.01 0.91 0.01 1.25 -0.60 0.00 0.00 178.31 179.87 3kwm h LEU 41 N 1.07 0.03 -0.52 1.54 5.85 -1.15 -2.49 115.31 119.63 3kwm h LEU 41 Ca 0.24 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.05 3kwm h LEU 41 Cb 0.29 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 3kwm h LEU 41 CO -0.01 0.02 -0.02 0.40 -0.34 0.00 0.00 178.44 178.49 3kwm h ILE 42 N 0.02 0.57 -0.25 4.05 2.04 -0.68 -1.41 117.51 121.85 3kwm h ILE 42 Ca 0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3kwm h ILE 42 Cb 0.00 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3kwm h ILE 42 CO -0.00 0.02 0.03 -0.33 0.00 0.00 0.00 178.15 177.87 3kwm h GLU 43 N 0.10 0.35 0.00 2.37 5.08 -1.39 -2.55 114.58 118.53 3kwm h GLU 43 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kwm h GLU 43 Cb 0.41 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kwm h GLU 43 CO -0.45 0.36 -0.01 0.39 -1.00 0.00 0.00 179.01 178.29 3kwm n GLU 44 N -4.37 0.08 0.28 2.33 1.02 -0.60 -3.70 120.64 115.68 3kwm n GLU 44 Ca 0.01 0.06 0.15 0.00 -0.02 0.00 0.00 57.16 57.36 3kwm n GLU 44 Cb 0.18 -1.59 0.78 0.00 -0.02 0.00 0.00 31.44 30.79 3kwm n GLU 44 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kwm h LEU 45 N 0.00 0.00 -2.71 -4.62 3.38 -0.94 -2.84 115.31 107.59 3kwm h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kwm h LEU 45 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kwm h LEU 45 CO 0.00 0.08 0.01 -0.37 0.09 0.00 0.00 178.44 178.25 3kwm h VAL 46 N 0.00 0.27 -0.01 1.22 -1.51 -1.74 -0.82 116.25 113.67 3kwm h VAL 46 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kwm h VAL 46 Cb 0.36 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3kwm h VAL 46 CO 0.01 0.00 -0.16 0.59 -1.23 0.00 0.00 177.57 176.78 3kwm n ASN 47 N -3.48 0.69 -0.07 4.19 5.03 -1.07 -3.69 115.26 116.87 3kwm n ASN 47 Ca -0.03 -0.71 0.03 0.00 0.87 0.00 0.00 54.58 54.75 3kwm n ASN 47 Cb 0.08 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.90 3kwm n ASN 47 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3kwm n TYR 48 N -0.82 0.00 -0.35 3.10 4.01 -0.35 -4.85 117.16 117.91 3kwm n TYR 48 Ca 0.14 -0.58 0.17 0.00 -0.16 0.00 0.00 57.90 57.46 3kwm n TYR 48 Cb 0.30 -0.08 0.38 0.00 -0.31 0.00 0.00 39.34 39.63 3kwm n TYR 48 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kwm h ARG 49 N 0.00 0.61 0.00 -0.72 2.43 -1.54 0.29 114.38 115.44 3kwm h ARG 49 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kwm h ARG 49 Cb 0.80 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3kwm h ARG 49 CO 0.00 0.40 0.00 -0.40 -1.51 0.00 0.00 179.97 178.46 3kwm n ASP 50 N -4.83 0.61 -0.00 -3.80 5.75 -1.26 -2.94 116.55 110.07 3kwm n ASP 50 Ca 0.26 0.65 0.08 0.00 -0.01 0.00 0.00 54.79 55.77 3kwm n ASP 50 Cb 0.70 -0.78 -0.10 0.00 -1.03 0.00 0.00 41.12 39.91 3kwm n ASP 50 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kwm n LYS 51 N -2.18 1.29 -3.05 0.11 5.02 0.07 -4.83 118.16 114.60 3kwm n LYS 51 Ca 0.02 -0.05 -0.45 0.00 -2.02 0.00 0.00 58.31 55.81 3kwm n LYS 51 Cb 0.22 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3kwm n LYS 51 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kwm s ILE 52 N -2.73 4.96 0.00 -0.18 1.01 -1.12 -1.20 121.20 121.94 3kwm s ILE 52 Ca 0.02 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 58.72 3kwm s ILE 52 Cb 0.12 -4.66 -0.18 0.00 0.01 0.00 0.00 42.46 37.74 3kwm s ILE 52 CO 0.67 -1.34 1.32 0.50 0.00 0.00 0.00 174.94 176.09 3kwm h LYS 53 N 8.62 -0.10 -4.94 2.79 3.64 -1.62 -3.45 116.57 121.51 3kwm h LYS 53 Ca 0.08 0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 59.04 3kwm h LYS 53 Cb 1.04 0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 32.59 3kwm h LYS 53 CO 1.02 0.27 -0.79 0.99 -2.27 0.00 0.00 179.45 178.66 3kwm s THR 54 N -4.63 0.87 -0.18 1.00 2.01 -1.09 -5.02 115.64 108.60 3kwm s THR 54 Ca -0.15 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 3kwm s THR 54 Cb 0.02 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 3kwm s THR 54 CO 0.63 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.05 3kwm s VAL 55 N -0.25 3.37 -0.11 3.82 1.01 -1.26 0.20 120.40 127.19 3kwm s VAL 55 Ca 0.04 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kwm s VAL 55 Cb -0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3kwm s VAL 55 CO -0.00 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 3kwm s VAL 56 N 0.97 3.86 -0.05 2.92 1.01 0.16 -0.79 120.40 128.48 3kwm s VAL 56 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3kwm s VAL 56 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3kwm s VAL 56 CO 0.00 0.55 -0.13 -0.55 0.00 0.00 0.00 175.10 174.97 3kwm s SER 57 N -0.28 4.14 0.00 3.32 0.15 -1.26 -0.30 113.70 119.47 3kwm s SER 57 Ca 0.05 -0.17 0.29 0.00 0.70 0.00 0.00 55.95 56.82 3kwm s SER 57 Cb -0.13 -0.92 1.21 0.00 -1.71 0.00 0.00 66.02 64.47 3kwm s SER 57 CO 0.02 0.35 1.83 -1.54 1.20 0.00 0.00 173.24 175.10 3kwm n SER 58 N 2.32 1.04 -3.44 5.45 3.41 -0.54 -4.93 113.62 116.92 3kwm n SER 58 Ca -0.17 -1.23 -0.12 0.00 -0.26 0.00 0.00 58.87 57.08 3kwm n SER 58 Cb 0.52 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.11 -0.55 0.32 4.04 1.04 -1.26 -4.12 113.70 111.06 3kwm s SER 59 Ca 0.37 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.95 3kwm s SER 59 Cb 0.21 0.56 0.55 0.00 0.10 0.00 0.00 66.02 67.44 3kwm s SER 59 CO 0.38 -0.88 1.78 -0.33 0.98 0.00 0.00 173.24 175.16 3kwm h GLU 60 N 2.11 0.30 0.09 4.02 4.39 -1.98 -1.36 114.58 122.15 3kwm h GLU 60 Ca -0.32 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 3kwm h GLU 60 Cb 1.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3kwm h GLU 60 CO 0.37 0.56 -0.04 0.22 -1.16 0.00 0.00 179.01 178.95 3kwm h ASP 61 N 0.26 -0.10 -0.93 1.42 1.82 -2.00 -1.24 116.42 115.65 3kwm h ASP 61 Ca 0.04 -0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.57 3kwm h ASP 61 Cb 0.64 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 3kwm h ASP 61 CO 0.05 0.08 0.60 0.28 -1.61 0.00 0.00 179.24 178.64 3kwm h SER 62 N -0.29 1.01 -0.42 2.28 0.02 -1.85 -2.33 113.55 111.97 3kwm h SER 62 Ca -0.01 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3kwm h SER 62 Cb 0.24 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3kwm h SER 62 CO 0.02 0.70 0.20 0.74 -1.14 0.00 0.00 176.83 177.34 3kwm h THR 63 N 1.18 0.95 -0.64 -2.27 2.02 -1.11 -0.04 112.91 112.99 3kwm h THR 63 Ca 0.37 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.44 3kwm h THR 63 Cb -0.01 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3kwm h THR 63 CO -0.12 0.07 0.39 0.03 0.37 0.00 0.00 175.52 176.27 3kwm h ARG 64 N 0.40 0.75 -0.36 6.66 3.08 -0.87 -0.78 114.38 123.26 3kwm h ARG 64 Ca 0.18 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.04 3kwm h ARG 64 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3kwm h ARG 64 CO -0.14 0.50 -0.35 0.87 -1.07 0.00 0.00 179.97 179.77 3kwm h LYS 65 N 0.77 0.87 -0.20 0.04 1.57 -1.13 -1.91 116.57 116.58 3kwm h LYS 65 Ca 0.26 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3kwm h LYS 65 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kwm h LYS 65 CO -0.11 1.11 0.05 -0.07 -0.57 0.00 0.00 179.45 179.85 3kwm h LEU 66 N 0.68 0.31 -0.73 2.94 3.38 -0.86 -2.50 115.31 118.53 3kwm h LEU 66 Ca 0.06 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3kwm h LEU 66 Cb 0.94 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 3kwm h LEU 66 CO 0.09 0.47 0.42 0.11 0.09 0.00 0.00 178.44 179.62 3kwm h LYS 67 N 0.14 0.73 0.00 1.13 1.57 -1.15 -1.77 116.57 117.23 3kwm h LYS 67 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3kwm h LYS 67 Cb 0.28 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3kwm h LYS 67 CO 0.00 0.49 -0.08 0.00 -0.57 0.00 0.00 179.45 179.29 3kwm h ALA 68 N 1.38 1.71 -0.31 3.86 0.00 -1.16 0.28 119.26 125.02 3kwm h ALA 68 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kwm h ALA 68 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kwm h ALA 68 CO -0.19 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 3kwm n LEU 69 N -4.21 1.65 0.00 0.00 4.77 -0.74 -4.92 117.00 113.55 3kwm n LEU 69 Ca -0.03 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3kwm n LEU 69 Cb 0.16 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kwm n LEU 69 CO 0.33 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3kwm n GLY 70 N 0.99 0.61 3.77 -0.72 0.00 0.09 -5.00 105.19 104.94 3kwm n GLY 70 Ca 0.10 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.71 -0.41 1.61 0.08 -0.77 -5.00 117.98 115.21 3kwm s PHE 71 Ca 0.00 1.23 -0.25 0.00 0.12 0.00 0.00 56.93 58.03 3kwm s PHE 71 Cb 0.00 -2.60 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 3kwm s PHE 71 CO 0.00 0.40 0.89 -0.51 -0.10 0.00 0.00 175.22 175.90 3kwm s ASP 72 N -0.38 6.58 -0.18 1.36 1.11 -1.26 -3.81 116.67 120.08 3kwm s ASP 72 Ca 0.31 0.34 -0.21 0.00 0.18 0.00 0.00 52.55 53.17 3kwm s ASP 72 Cb -0.19 -2.44 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 3kwm s ASP 72 CO 0.18 -0.91 0.65 -0.69 1.18 0.00 0.00 175.17 175.58 3kwm s VAL 73 N 3.51 5.01 -0.08 -1.27 1.01 -1.26 -3.98 120.40 123.34 3kwm s VAL 73 Ca 0.36 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.60 3kwm s VAL 73 Cb -0.11 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3kwm s VAL 73 CO 0.21 0.12 -0.08 -0.69 0.00 0.00 0.00 175.10 174.66 3kwm s VAL 74 N 1.80 3.57 0.29 2.92 1.01 0.03 -5.02 120.40 125.00 3kwm s VAL 74 Ca 0.30 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3kwm s VAL 74 Cb -0.16 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.64 3kwm s VAL 74 CO 0.11 0.58 1.60 -0.67 0.00 0.00 0.00 175.10 176.73 3kwm n ASP 75 N 2.48 3.89 -0.34 3.32 2.03 -1.26 -4.40 116.55 122.26 3kwm n ASP 75 Ca -0.18 1.15 0.23 0.00 0.52 0.00 0.00 54.79 56.50 3kwm n ASP 75 Cb 0.53 -1.60 0.48 0.00 -0.72 0.00 0.00 41.12 39.81 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 4.84 0.51 -1.74 -2.67 5.85 -1.94 0.95 115.31 121.12 3kwm h LEU 76 Ca -0.47 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3kwm h LEU 76 Cb 1.22 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3kwm h LEU 76 CO 0.80 0.03 0.19 0.78 -0.34 0.00 0.00 178.44 179.90 3kwm h ASN 77 N 0.41 0.30 0.52 1.25 2.35 -1.90 -1.93 115.58 116.58 3kwm h ASN 77 Ca 0.66 -0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 56.11 3kwm h ASN 77 Cb 1.55 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.80 3kwm h ASN 77 CO -0.41 0.21 -1.63 1.88 -1.65 0.00 0.00 177.43 175.83 3kwm h TYR 78 N 0.35 0.10 -0.03 1.19 0.05 -1.22 -3.37 116.97 114.05 3kwm h TYR 78 Ca 0.11 -0.07 -0.16 0.00 0.05 0.00 0.00 58.73 58.65 3kwm h TYR 78 Cb 0.01 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3kwm h TYR 78 CO -0.00 1.13 -0.72 0.00 -1.05 0.00 0.00 178.16 177.52 3kwm h ALA 79 N 0.85 0.73 0.00 3.88 0.00 -1.01 -3.50 119.26 120.21 3kwm h ALA 79 Ca -0.26 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3kwm h ALA 79 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3kwm h ALA 79 CO 0.10 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.58 3kwm n GLY 80 N 0.52 -0.47 3.76 0.00 0.00 -0.75 -4.87 105.19 103.38 3kwm n GLY 80 Ca -0.03 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 3kwm n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kwm s GLU 81 N 0.00 4.36 0.02 1.61 2.02 -1.26 -4.88 118.70 120.56 3kwm s GLU 81 Ca 0.00 2.18 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 3kwm s GLU 81 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 3kwm s GLU 81 CO 0.00 -0.23 1.04 0.42 0.02 0.00 0.00 175.26 176.51 3kwm s ILE 82 N -0.64 4.63 -0.06 -1.63 1.01 0.11 -4.81 121.20 119.81 3kwm s ILE 82 Ca 0.53 1.89 -0.24 0.00 0.00 0.00 0.00 60.65 62.82 3kwm s ILE 82 Cb -0.39 -4.21 -0.19 0.00 0.01 0.00 0.00 42.46 37.68 3kwm s ILE 82 CO 0.47 0.15 0.98 0.44 0.00 0.00 0.00 174.94 176.98 3kwm h ASP 83 N 6.80 -0.08 -3.30 3.58 3.45 -1.27 0.11 116.42 125.70 3kwm h ASP 83 Ca -0.41 -0.52 -0.42 0.00 0.43 0.00 0.00 57.03 56.11 3kwm h ASP 83 Cb 1.22 0.02 -0.37 0.00 -0.56 0.00 0.00 39.33 39.64 3kwm h ASP 83 CO 0.77 0.53 -0.76 -0.22 -1.57 0.00 0.00 179.24 177.98 3kwm s LEU 84 N -8.92 0.69 -0.21 1.55 2.96 -1.13 -2.03 118.68 111.59 3kwm s LEU 84 Ca -0.15 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3kwm s LEU 84 Cb 0.00 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 3kwm s LEU 84 CO 0.58 -0.17 0.03 -0.47 -1.32 0.00 0.00 176.35 175.00 3kwm s TYR 85 N 1.78 3.09 -0.16 5.38 6.14 0.36 -0.49 117.35 133.46 3kwm s TYR 85 Ca 0.02 -0.32 0.01 0.00 0.64 0.00 0.00 57.07 57.42 3kwm s TYR 85 Cb -0.13 -2.12 0.00 0.00 0.42 0.00 0.00 41.96 40.14 3kwm s TYR 85 CO -0.04 -0.17 -0.16 0.42 0.64 0.00 0.00 175.55 176.23 3kwm s ILE 86 N 0.99 2.55 0.12 3.14 1.01 -0.84 -0.86 121.20 127.31 3kwm s ILE 86 Ca 0.03 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 3kwm s ILE 86 Cb -0.14 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.28 3kwm s ILE 86 CO 0.02 0.52 0.33 -0.62 0.00 0.00 0.00 174.94 175.19 3kwm s ASP 87 N 0.85 -0.10 0.61 3.58 -1.08 -0.94 -0.76 116.67 118.83 3kwm s ASP 87 Ca -0.05 -0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 51.50 3kwm s ASP 87 Cb -0.15 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 41.76 3kwm s ASP 87 CO -0.01 -0.83 0.10 0.61 0.52 0.00 0.00 175.17 175.57 3kwm n GLY 88 N -0.18 0.13 3.29 2.66 0.00 -1.26 -0.76 105.19 109.08 3kwm n GLY 88 Ca -0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.19 -0.66 0.02 4.61 0.00 -1.26 -4.80 121.76 116.48 3kwm s ALA 89 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3kwm s ALA 89 Cb -0.00 0.65 -0.24 0.00 0.00 0.00 0.00 23.12 23.53 3kwm s ALA 89 CO 0.04 -0.61 0.91 -0.44 0.00 0.00 0.00 175.76 175.67 3kwm h ASP 90 N 2.48 0.14 -4.99 0.00 3.32 -1.12 -3.48 116.42 112.78 3kwm h ASP 90 Ca -0.34 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 3kwm h ASP 90 Cb 1.24 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 3kwm h ASP 90 CO 0.49 1.17 -0.35 -1.61 -1.72 0.00 0.00 179.24 177.22 3kwm s GLU 91 N -2.64 0.61 -0.05 3.56 2.02 -0.95 -4.68 118.70 116.57 3kwm s GLU 91 Ca -0.05 -0.27 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 3kwm s GLU 91 Cb 0.08 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.61 3kwm s GLU 91 CO 0.83 -0.16 0.10 0.00 0.02 0.00 0.00 175.26 176.05 3kwm n ASN 93 N 4.37 0.00 -0.23 0.00 0.23 -0.68 -0.81 115.26 118.13 3kwm n ASN 93 Ca -0.24 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.95 3kwm n ASN 93 Cb 0.51 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.77 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 0.00 0.84 -0.61 0.53 3.02 -1.26 -3.72 115.26 114.06 3kwm n ASN 94 Ca 0.00 -0.94 0.06 0.00 -0.03 0.00 0.00 54.58 53.67 3kwm n ASN 94 Cb 0.00 0.01 0.19 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.58 0.44 -2.26 3.10 8.25 -1.26 -4.96 115.22 117.95 3kwm n HIS 95 Ca 0.16 -1.22 -0.20 0.00 -0.26 0.00 0.00 57.72 56.21 3kwm n HIS 95 Cb 0.30 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.71 -3.81 -0.41 5.02 -1.24 -4.86 118.16 110.06 3kwm n LYS 96 Ca 0.22 0.99 -0.37 0.00 -2.02 0.00 0.00 58.31 57.13 3kwm n LYS 96 Cb 0.79 -5.60 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 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 -4.81 3.69 0.23 1.97 2.02 -1.26 -1.53 118.70 119.01 3kwm s GLU 97 Ca 0.00 -0.12 0.11 0.00 0.02 0.00 0.00 54.97 54.98 3kwm s GLU 97 Cb 0.00 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.92 3kwm s GLU 97 CO 0.00 0.63 -0.21 -0.51 0.02 0.00 0.00 175.26 175.20 3kwm s LEU 98 N -0.62 2.52 -0.17 1.80 1.43 -0.26 -1.69 118.68 121.69 3kwm s LEU 98 Ca 0.14 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 3kwm s LEU 98 Cb -0.12 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3kwm s LEU 98 CO 0.03 0.04 -0.04 -0.63 0.23 0.00 0.00 176.35 175.97 3kwm s ILE 99 N -2.23 3.67 0.11 -0.59 1.01 -0.59 -0.97 121.20 121.62 3kwm s ILE 99 Ca 0.25 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3kwm s ILE 99 Cb -0.06 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 3kwm s ILE 99 CO 0.12 0.47 -0.07 -0.54 0.00 0.00 0.00 174.94 174.91 3kwm s LYS 100 N 0.72 0.91 0.00 2.79 1.02 0.68 -0.44 119.74 125.42 3kwm s LYS 100 Ca -0.02 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.59 3kwm s LYS 100 Cb -0.15 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 3kwm s LYS 100 CO 0.02 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3kwm n GLY 101 N -0.09 1.17 0.39 -3.33 0.00 -1.26 -4.33 105.19 97.73 3kwm n GLY 101 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 1.16 -1.81 -0.02 0.00 -1.93 0.63 103.07 101.10 3kwm h GLY 102 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3kwm h GLY 102 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.11 3kwm n GLY 103 N -1.46 1.31 2.38 4.60 0.00 -1.26 -4.94 105.19 105.82 3kwm n GLY 103 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.87 0.00 -0.58 4.61 0.00 0.21 -4.91 120.51 120.71 3kwm n ALA 104 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3kwm n ALA 104 Cb 0.43 -0.29 0.30 0.00 0.00 0.00 0.00 19.45 19.88 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 2.84 -0.27 0.00 0.00 -1.26 -4.69 120.51 118.13 3kwm n ALA 105 Ca 0.00 -1.62 0.12 0.00 0.00 0.00 0.00 53.44 51.94 3kwm n ALA 105 Cb 0.09 -0.83 0.38 0.00 0.00 0.00 0.00 19.45 19.09 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 3.25 0.65 0.72 0.00 -0.00 -1.88 -2.30 115.31 115.74 3kwm h LEU 106 Ca 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3kwm h LEU 106 Cb 1.28 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.85 3kwm h LEU 106 CO 0.17 0.33 -0.34 0.74 -0.00 0.00 0.00 178.44 179.33 3kwm h THR 107 N 0.69 0.16 -0.23 0.15 2.02 -1.93 0.11 112.91 113.88 3kwm h THR 107 Ca 0.45 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 3kwm h THR 107 Cb 0.72 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3kwm h THR 107 CO -0.20 0.02 -0.06 0.03 0.37 0.00 0.00 175.52 175.67 3kwm h ARG 108 N -1.14 0.36 -0.23 6.66 3.08 -1.78 -1.08 114.38 120.25 3kwm h ARG 108 Ca -0.10 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.89 3kwm h ARG 108 Cb 0.76 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3kwm h ARG 108 CO 0.16 0.44 0.10 0.93 -1.07 0.00 0.00 179.97 180.53 3kwm h GLU 109 N 0.35 0.21 -0.38 0.04 5.08 -1.30 -0.46 114.58 118.12 3kwm h GLU 109 Ca 0.07 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3kwm h GLU 109 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3kwm h GLU 109 CO 0.02 0.14 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.76 3kwm h LYS 110 N 0.22 0.72 -0.29 2.33 3.64 -0.29 -0.44 116.57 122.47 3kwm h LYS 110 Ca 0.10 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 3kwm h LYS 110 Cb 0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kwm h LYS 110 CO -0.08 0.86 0.13 0.82 -2.27 0.00 0.00 179.45 178.91 3kwm h ILE 111 N 0.64 1.16 -0.65 2.00 2.04 -1.09 0.65 117.51 122.26 3kwm h ILE 111 Ca 0.10 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3kwm h ILE 111 Cb 0.66 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 3kwm h ILE 111 CO 0.05 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.75 3kwm h VAL 113 N 0.74 1.14 -0.55 0.00 2.07 -0.87 -2.45 116.25 116.32 3kwm h VAL 113 Ca 0.28 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3kwm h VAL 113 Cb 0.09 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3kwm h VAL 113 CO -0.14 0.14 0.19 0.00 0.02 0.00 0.00 177.57 177.79 3kwm h ALA 114 N 1.07 0.68 -0.28 1.67 0.00 -0.38 -2.30 119.26 119.72 3kwm h ALA 114 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kwm h ALA 114 Cb 0.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kwm h ALA 114 CO -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3kwm n ALA 115 N -2.45 2.71 -2.84 0.00 0.00 -0.34 -4.90 120.51 112.68 3kwm n ALA 115 Ca 0.07 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.51 3kwm n ALA 115 Cb 0.24 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.65 3.23 0.20 0.00 0.00 -0.87 -0.71 121.76 121.97 3kwm s ALA 116 Ca 0.22 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 3kwm s ALA 116 Cb 0.14 -1.68 0.15 0.00 0.00 0.00 0.00 23.12 21.72 3kwm s ALA 116 CO 0.11 0.29 1.68 0.87 0.00 0.00 0.00 175.76 178.71 3kwm h LYS 117 N 6.33 1.00 -3.86 0.00 1.57 -0.85 -3.43 116.57 117.34 3kwm h LYS 117 Ca -0.38 -0.30 -0.38 0.00 -1.87 0.00 0.00 60.65 57.72 3kwm h LYS 117 Cb 1.18 -0.10 -0.34 0.00 0.08 0.00 0.00 32.23 33.05 3kwm h LYS 117 CO 0.64 0.98 -0.76 0.21 -0.57 0.00 0.00 179.45 179.95 3kwm s LYS 118 N -5.02 0.57 -0.32 3.15 2.20 -0.86 -5.04 119.74 114.42 3kwm s LYS 118 Ca -0.11 -0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 3kwm s LYS 118 Cb 0.14 -0.68 0.04 0.00 -1.51 0.00 0.00 37.83 35.82 3kwm s LYS 118 CO 0.85 -0.12 0.05 0.12 -0.36 0.00 0.00 175.35 175.89 3kwm s PHE 119 N 1.05 3.24 -0.27 4.03 5.36 -1.26 -0.48 117.98 129.65 3kwm s PHE 119 Ca -0.09 -1.59 -0.11 0.00 -0.96 0.00 0.00 56.93 54.18 3kwm s PHE 119 Cb -0.14 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 3kwm s PHE 119 CO -0.01 -0.75 0.19 0.42 -1.46 0.00 0.00 175.22 173.60 3kwm s ILE 120 N 1.34 5.32 -0.23 3.12 1.01 -0.04 -1.07 121.20 130.66 3kwm s ILE 120 Ca -0.03 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 3kwm s ILE 120 Cb -0.19 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3kwm s ILE 120 CO 0.01 0.28 0.15 0.00 0.00 0.00 0.00 174.94 175.38 3kwm s ILE 122 N 0.85 3.68 0.05 0.00 -4.36 0.06 -0.39 121.20 121.08 3kwm s ILE 122 Ca 0.08 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 60.07 3kwm s ILE 122 Cb -0.13 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 3kwm s ILE 122 CO 0.03 0.44 -0.05 0.27 0.24 0.00 0.00 174.94 175.87 3kwm s ILE 123 N 1.09 0.36 0.49 8.37 -4.36 -0.23 -4.16 121.20 122.76 3kwm s ILE 123 Ca 0.02 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3kwm s ILE 123 Cb -0.15 -1.11 -0.01 0.00 1.25 0.00 0.00 42.46 42.45 3kwm s ILE 123 CO 0.01 -0.75 0.75 1.51 0.24 0.00 0.00 174.94 176.69 3kwm s ASP 124 N -2.38 5.84 0.58 4.36 -4.77 -1.26 -1.07 116.67 117.96 3kwm s ASP 124 Ca -0.00 0.51 0.28 0.00 -3.30 0.00 0.00 52.55 50.04 3kwm s ASP 124 Cb 0.00 -1.71 1.56 0.00 -1.09 0.00 0.00 42.92 41.68 3kwm s ASP 124 CO -0.05 -0.77 2.03 1.05 0.70 0.00 0.00 175.17 178.13 3kwm h GLU 125 N 0.22 0.00 0.00 2.11 4.11 -1.51 -2.39 114.58 117.12 3kwm h GLU 125 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3kwm h GLU 125 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kwm h GLU 125 CO 0.59 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.33 3kwm h SER 126 N 0.00 0.00 0.85 3.06 4.64 -1.95 -1.79 113.55 118.36 3kwm h SER 126 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kwm h SER 126 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3kwm h SER 126 CO -0.00 0.00 -0.68 0.11 -0.87 0.00 0.00 176.83 175.38 3kwm h LYS 127 N 0.00 0.00 -6.24 4.77 1.79 -1.70 -3.46 116.57 111.72 3kwm h LYS 127 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3kwm h LYS 127 Cb 0.32 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 3kwm h LYS 127 CO 0.00 0.00 0.54 0.21 -1.08 0.00 0.00 179.45 179.12 3kwm s LYS 128 N -3.18 4.42 0.26 3.15 2.47 -0.67 -1.13 119.74 125.05 3kwm s LYS 128 Ca 0.05 1.36 0.03 0.00 -1.56 0.00 0.00 55.97 55.85 3kwm s LYS 128 Cb 0.13 -3.54 -0.05 0.00 -1.46 0.00 0.00 37.83 32.91 3kwm s LYS 128 CO 0.73 -0.29 0.04 0.14 0.16 0.00 0.00 175.35 176.13 3kwm s VAL 129 N 1.94 0.92 -0.11 4.02 -7.23 0.01 -4.93 120.40 115.01 3kwm s VAL 129 Ca 0.48 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 3kwm s VAL 129 Cb -0.18 -2.51 -0.26 0.00 0.56 0.00 0.00 36.38 33.98 3kwm s VAL 129 CO 0.18 -0.17 0.58 -1.13 -0.31 0.00 0.00 175.10 174.25 3kwm h ASN 130 N 2.38 0.30 -3.84 4.85 -1.24 -1.94 -3.37 115.58 112.72 3kwm h ASN 130 Ca -0.39 -0.84 -0.52 0.00 0.71 0.00 0.00 56.30 55.27 3kwm h ASN 130 Cb 1.23 -0.10 -0.31 0.00 0.73 0.00 0.00 38.32 39.87 3kwm h ASN 130 CO 0.65 1.50 -0.82 -0.89 -1.29 0.00 0.00 177.43 176.58 3kwm s THR 131 N -2.43 1.23 0.58 -3.57 2.01 -1.26 -4.30 115.64 107.91 3kwm s THR 131 Ca -0.20 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 3kwm s THR 131 Cb 0.03 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 3kwm s THR 131 CO 0.74 0.36 1.15 -0.76 -0.69 0.00 0.00 174.62 175.42 3kwm s LEU 132 N 0.13 3.65 0.00 4.42 1.43 -1.26 -4.60 118.68 122.46 3kwm s LEU 132 Ca -0.04 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3kwm s LEU 132 Cb -0.11 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3kwm s LEU 132 CO 0.02 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.79 3kwm n GLY 133 N 0.15 1.58 0.14 -3.19 0.00 -1.26 -1.68 105.19 100.92 3kwm n GLY 133 Ca 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 2.00 -0.28 -2.93 1.61 4.21 -1.81 -3.39 115.58 114.99 3kwm h ASN 134 Ca 0.00 0.05 -0.54 0.00 1.21 0.00 0.00 56.30 57.01 3kwm h ASN 134 Cb 0.00 0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3kwm h ASN 134 CO 0.00 -0.14 0.81 0.12 -1.29 0.00 0.00 177.43 176.93 3kwm s PHE 135 N -6.16 2.92 0.40 1.19 5.36 -1.26 -4.90 117.98 115.52 3kwm s PHE 135 Ca -0.14 0.86 -0.27 0.00 -0.96 0.00 0.00 56.93 56.42 3kwm s PHE 135 Cb 0.08 -3.64 -0.10 0.00 -0.34 0.00 0.00 43.02 39.02 3kwm s PHE 135 CO 0.67 -2.34 1.44 -1.25 -1.46 0.00 0.00 175.22 172.28 3kwm s PRO 136 N 2.26 4.00 -0.37 10.12 0.04 -1.26 -4.92 135.00 144.87 3kwm s PRO 136 Ca 0.63 2.47 -0.29 0.00 0.04 0.00 0.00 61.00 63.86 3kwm s PRO 136 Cb -0.31 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.37 3kwm s PRO 136 CO 0.27 -0.58 1.09 -1.17 0.04 0.00 0.00 177.00 176.64 3kwm s LEU 137 N -2.27 3.84 0.18 -3.56 2.96 0.10 -4.64 118.68 115.30 3kwm s LEU 137 Ca 0.55 0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 54.99 3kwm s LEU 137 Cb -0.45 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.64 3kwm s LEU 137 CO 0.59 -1.00 1.18 -2.84 -1.32 0.00 0.00 176.35 172.97 3kwm s PRO 138 N 3.91 4.50 -0.11 0.98 0.02 -1.26 -0.26 135.00 142.78 3kwm s PRO 138 Ca 0.46 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 3kwm s PRO 138 Cb -0.10 -3.25 0.03 0.00 0.02 0.00 0.00 34.50 31.20 3kwm s PRO 138 CO 0.21 -0.07 -0.03 0.42 -0.33 0.00 0.00 177.00 177.20 3kwm s ILE 139 N -0.05 0.69 -0.04 2.83 1.01 -0.04 -0.02 121.20 125.58 3kwm s ILE 139 Ca 0.52 -0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.72 3kwm s ILE 139 Cb -0.32 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3kwm s ILE 139 CO 0.36 0.23 0.89 -0.70 0.00 0.00 0.00 174.94 175.71 3kwm s GLU 140 N 1.84 4.50 0.06 2.79 2.12 -0.43 -0.99 118.70 128.58 3kwm s GLU 140 Ca 0.04 1.22 0.04 0.00 0.36 0.00 0.00 54.97 56.63 3kwm s GLU 140 Cb -0.13 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 3kwm s GLU 140 CO -0.07 -0.05 -0.12 0.14 -0.54 0.00 0.00 175.26 174.62 3kwm s VAL 141 N 1.09 0.90 0.10 3.70 -7.23 0.12 -0.25 120.40 118.84 3kwm s VAL 141 Ca 0.46 -1.18 -0.31 0.00 -1.81 0.00 0.00 61.98 59.14 3kwm s VAL 141 Cb -0.19 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.76 3kwm s VAL 141 CO 0.23 -0.25 1.74 -0.63 -0.31 0.00 0.00 175.10 175.88 3kwm s ILE 142 N -1.25 2.75 0.32 -0.62 -1.09 0.00 -2.07 121.20 119.24 3kwm s ILE 142 Ca -0.04 0.25 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 3kwm s ILE 142 Cb -0.10 -3.16 0.31 0.00 -1.58 0.00 0.00 42.46 37.93 3kwm s ILE 142 CO 0.01 0.00 1.77 -0.65 -1.23 0.00 0.00 174.94 174.84 3kwm h PRO 143 N 8.39 0.67 0.00 2.79 0.11 -1.91 0.33 132.00 142.39 3kwm h PRO 143 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kwm h PRO 143 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kwm h PRO 143 CO 0.94 0.44 -0.02 0.00 -0.21 0.00 0.00 178.00 179.15 3kwm h MET 144 N 0.69 0.00 -0.14 1.05 -0.00 -1.98 -2.52 114.93 112.03 3kwm h MET 144 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.29 3kwm h MET 144 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.62 3kwm h MET 144 CO -0.39 0.02 0.00 0.00 -0.00 0.00 0.00 176.91 176.54 3kwm n ALA 145 N -2.12 2.50 0.02 -3.00 0.00 0.10 -4.68 120.51 113.32 3kwm n ALA 145 Ca -0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 3kwm n ALA 145 Cb 0.20 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 3.43 -0.57 -0.58 0.00 2.43 -1.39 -0.17 114.38 117.52 3kwm h ARG 146 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3kwm h ARG 146 Cb 0.74 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3kwm h ARG 146 CO 0.00 -0.38 0.07 0.77 -1.51 0.00 0.00 179.97 178.92 3kwm h SER 147 N -0.59 0.91 -0.08 -3.80 0.02 -1.84 -1.50 113.55 106.67 3kwm h SER 147 Ca 0.04 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3kwm h SER 147 Cb 0.68 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3kwm h SER 147 CO -0.40 0.93 0.04 0.22 -1.14 0.00 0.00 176.83 176.49 3kwm h TYR 148 N 0.90 0.12 -0.62 3.45 3.20 -1.79 -2.32 116.97 119.90 3kwm h TYR 148 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3kwm h TYR 148 Cb 0.43 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3kwm h TYR 148 CO 0.03 0.16 0.23 0.82 -1.64 0.00 0.00 178.16 177.76 3kwm h ILE 149 N 0.04 1.24 -0.80 1.81 2.04 -0.88 -2.22 117.51 118.74 3kwm h ILE 149 Ca 0.03 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.24 3kwm h ILE 149 Cb 0.09 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 3kwm h ILE 149 CO -0.00 0.30 0.41 0.00 0.00 0.00 0.00 178.15 178.86 3kwm h ALA 150 N 1.09 1.15 0.00 1.87 0.00 -1.19 0.88 119.26 123.06 3kwm h ALA 150 Ca 0.20 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3kwm h ALA 150 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kwm h ALA 150 CO -0.01 -0.04 -0.41 0.07 0.00 0.00 0.00 179.25 178.85 3kwm h ARG 151 N 0.64 0.00 -0.06 0.00 -0.00 -1.05 -1.56 114.38 112.36 3kwm h ARG 151 Ca 0.41 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 60.19 3kwm h ARG 151 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 3kwm h ARG 151 CO -0.31 0.41 -0.82 1.96 -0.00 0.00 0.00 179.97 181.21 3kwm h GLN 152 N 0.00 0.45 -0.38 0.08 1.08 -0.74 -3.09 115.11 112.51 3kwm h GLN 152 Ca -0.00 -0.41 -0.12 0.00 -1.45 0.00 0.00 58.65 56.66 3kwm h GLN 152 Cb 0.96 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3kwm h GLN 152 CO 0.05 1.06 -0.26 0.82 -0.95 0.00 0.00 178.83 179.55 3kwm h ILE 153 N 0.29 1.27 -0.97 2.54 2.04 -0.66 -2.71 117.51 119.31 3kwm h ILE 153 Ca -0.05 -1.39 0.09 0.00 1.00 0.00 0.00 64.86 64.51 3kwm h ILE 153 Cb 1.42 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 3kwm h ILE 153 CO 0.14 0.46 0.63 0.58 0.00 0.00 0.00 178.15 179.96 3kwm h VAL 154 N 0.68 1.01 0.00 1.67 2.07 -1.33 -1.34 116.25 119.02 3kwm h VAL 154 Ca 0.09 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3kwm h VAL 154 Cb 0.78 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kwm h VAL 154 CO 0.06 0.19 -0.23 0.11 0.02 0.00 0.00 177.57 177.73 3kwm h LYS 155 N 1.05 0.00 -0.00 1.57 1.57 -1.40 -1.60 116.57 117.75 3kwm h LYS 155 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3kwm h LYS 155 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kwm h LYS 155 CO -0.20 0.23 -0.06 1.28 -0.57 0.00 0.00 179.45 180.13 3kwm n LEU 156 N -3.45 0.10 0.00 2.94 4.77 -0.58 -4.93 117.00 115.86 3kwm n LEU 156 Ca -0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3kwm n LEU 156 Cb 0.41 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kwm n LEU 156 CO 0.33 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kwm n GLY 157 N 1.39 0.83 3.97 -0.72 0.00 -0.60 -5.10 105.19 104.96 3kwm n GLY 157 Ca 0.10 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.14 1.65 -0.46 -0.02 0.00 -0.76 -4.67 107.32 100.92 3kwm s GLY 158 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 3kwm s GLY 158 CO 0.00 -1.07 0.25 1.20 0.00 0.00 0.00 173.10 173.48 3kwm s GLN 159 N -4.49 2.07 -0.03 2.90 -0.21 -0.14 -4.01 119.66 115.75 3kwm s GLN 159 Ca 0.50 -2.06 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 3kwm s GLN 159 Cb -0.10 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 3kwm s GLN 159 CO 0.36 -1.08 0.94 -1.25 -2.12 0.00 0.00 175.29 172.13 3kwm s PRO 160 N 0.72 4.51 -0.20 2.91 0.04 -1.26 -1.21 135.00 140.50 3kwm s PRO 160 Ca 0.11 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3kwm s PRO 160 Cb -0.22 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 30.89 3kwm s PRO 160 CO -0.04 -0.09 -0.11 0.08 0.04 0.00 0.00 177.00 176.88 3kwm s VAL 161 N 1.19 1.68 0.12 -0.36 1.01 0.40 -4.93 120.40 119.51 3kwm s VAL 161 Ca 0.49 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 3kwm s VAL 161 Cb -0.20 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.32 3kwm s VAL 161 CO 0.24 0.17 1.85 0.00 0.00 0.00 0.00 175.10 177.36 3kwm n TYR 162 N 4.67 2.62 -2.65 5.22 9.36 -1.26 -0.58 117.16 134.54 3kwm n TYR 162 Ca -0.15 -0.16 -0.42 0.00 3.32 0.00 0.00 57.90 60.49 3kwm n TYR 162 Cb 0.46 -2.74 -0.03 0.00 -0.63 0.00 0.00 39.34 36.41 3kwm n TYR 162 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3kwm s ARG 163 N 2.85 3.37 0.27 2.98 3.52 -0.64 -4.93 118.95 126.37 3kwm s ARG 163 Ca 0.82 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 3kwm s ARG 163 Cb -0.48 -4.70 -0.13 0.00 -1.56 0.00 0.00 34.95 28.08 3kwm s ARG 163 CO 0.38 -2.08 1.35 0.39 -0.81 0.00 0.00 175.30 174.53 3kwm n GLU 164 N 8.61 2.02 -0.59 5.12 -0.58 -1.26 -2.72 120.64 131.24 3kwm n GLU 164 Ca 0.15 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 3kwm n GLU 164 Cb 0.49 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 3kwm n GLU 164 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kwm n GLN 165 N 1.53 0.00 -3.25 3.49 1.13 -1.26 -4.99 117.38 114.03 3kwm n GLN 165 Ca 0.09 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.77 3kwm n GLN 165 Cb 0.33 -3.04 -0.06 0.00 0.11 0.00 0.00 30.24 27.58 3kwm n GLN 165 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3kwm s THR 166 N -2.69 5.14 -0.08 5.09 2.01 -1.10 -5.06 115.64 118.95 3kwm s THR 166 Ca 0.00 1.05 0.01 0.00 0.31 0.00 0.00 61.69 63.06 3kwm s THR 166 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kwm s THR 166 CO 0.00 0.28 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.46 3kwm s ILE 167 N 0.88 1.16 0.99 1.82 1.01 -1.26 -4.55 121.20 121.25 3kwm s ILE 167 Ca 0.28 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 3kwm s ILE 167 Cb -0.16 -1.09 0.18 0.00 0.01 0.00 0.00 42.46 41.41 3kwm s ILE 167 CO 0.11 0.37 1.10 0.42 0.00 0.00 0.00 174.94 176.95 3kwm s THR 168 N 0.99 2.05 0.62 2.92 -4.23 -0.29 -4.86 115.64 112.84 3kwm s THR 168 Ca -0.08 0.01 0.33 0.00 -1.18 0.00 0.00 61.69 60.77 3kwm s THR 168 Cb -0.15 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.50 3kwm s THR 168 CO -0.00 -0.02 2.14 0.44 -0.54 0.00 0.00 174.62 176.64 3kwm h ASP 169 N -1.83 0.00 -0.01 3.99 3.32 -1.91 -0.89 116.42 119.09 3kwm h ASP 169 Ca -0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3kwm h ASP 169 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3kwm h ASP 169 CO 0.59 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 178.67 3kwm n ASN 170 N -3.50 2.09 0.00 6.45 3.02 -1.26 -4.95 115.26 117.11 3kwm n ASN 170 Ca -0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 3kwm n ASN 170 Cb 0.26 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.26 0.49 3.96 7.41 0.00 -0.34 -5.05 105.19 112.91 3kwm n GLY 171 Ca 0.17 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.70 4.88 0.42 1.61 0.01 -1.26 -4.81 114.94 113.08 3kwm s ASN 172 Ca 0.00 -1.03 0.07 0.00 -0.71 0.00 0.00 52.86 51.20 3kwm s ASN 172 Cb 0.00 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.88 3kwm s ASN 172 CO 0.00 -1.16 0.19 0.68 -1.51 0.00 0.00 177.10 175.30 3kwm s VAL 173 N -2.70 2.27 -0.04 1.60 -7.23 -0.88 -1.13 120.40 112.29 3kwm s VAL 173 Ca 0.47 -1.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 3kwm s VAL 173 Cb -0.04 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 3kwm s VAL 173 CO 0.29 0.00 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.21 3kwm s ILE 174 N -2.61 1.94 -0.16 -0.62 -1.09 -1.26 -0.70 121.20 116.70 3kwm s ILE 174 Ca 0.40 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 3kwm s ILE 174 Cb 0.03 -1.63 -0.03 0.00 -1.58 0.00 0.00 42.46 39.25 3kwm s ILE 174 CO 0.22 0.55 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.69 3kwm s LEU 175 N -0.31 3.29 -0.26 2.97 1.43 -0.16 -1.61 118.68 124.03 3kwm s LEU 175 Ca 0.02 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 3kwm s LEU 175 Cb -0.12 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3kwm s LEU 175 CO 0.02 0.16 0.17 -1.81 0.23 0.00 0.00 176.35 175.11 3kwm s ASP 176 N 0.40 6.00 -0.36 2.29 1.01 0.25 -0.86 116.67 125.40 3kwm s ASP 176 Ca -0.03 0.04 -0.13 0.00 0.71 0.00 0.00 52.55 53.13 3kwm s ASP 176 Cb -0.14 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.69 3kwm s ASP 176 CO 0.03 0.01 0.24 -0.69 0.21 0.00 0.00 175.17 174.97 3kwm s VAL 177 N 1.39 5.13 0.49 -1.27 1.01 0.64 -0.45 120.40 127.34 3kwm s VAL 177 Ca 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3kwm s VAL 177 Cb -0.15 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3kwm s VAL 177 CO 0.07 -0.11 0.73 -0.31 0.00 0.00 0.00 175.10 175.48 3kwm s TYR 178 N 1.68 3.15 -0.70 5.22 2.02 -0.35 -0.72 117.35 127.65 3kwm s TYR 178 Ca 0.05 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 3kwm s TYR 178 Cb -0.18 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 3kwm s TYR 178 CO 0.09 -0.54 0.00 -1.71 -1.57 0.00 0.00 175.55 171.82 3kwm n ASN 179 N -2.21 -4.34 -4.78 2.29 4.05 -1.26 -0.96 115.26 108.04 3kwm n ASN 179 Ca 0.03 0.16 -0.38 0.00 0.45 0.00 0.00 54.58 54.84 3kwm n ASN 179 Cb 0.58 -2.42 -0.06 0.00 1.23 0.00 0.00 39.78 39.11 3kwm n ASN 179 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3kwm s LEU 180 N -1.51 4.42 -0.64 1.20 1.43 -1.26 -4.84 118.68 117.48 3kwm s LEU 180 Ca 0.00 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.05 3kwm s LEU 180 Cb 0.00 -2.77 0.17 0.00 0.03 0.00 0.00 46.19 43.62 3kwm s LEU 180 CO 0.00 0.17 0.52 -0.75 0.23 0.00 0.00 176.35 176.53 3kwm s LYS 181 N -0.42 2.90 -1.32 1.70 2.20 -1.26 -4.32 119.74 119.22 3kwm s LYS 181 Ca 0.27 -2.22 -0.14 0.00 -0.36 0.00 0.00 55.97 53.52 3kwm s LYS 181 Cb -0.17 -4.05 0.11 0.00 -1.51 0.00 0.00 37.83 32.20 3kwm s LYS 181 CO 0.15 -1.23 1.82 -0.89 -0.36 0.00 0.00 175.35 174.84 3kwm n ILE 182 N 4.20 3.97 0.22 5.43 5.41 -0.68 -4.67 119.36 133.25 3kwm n ILE 182 Ca 0.03 -4.03 0.11 0.00 1.00 0.00 0.00 62.75 59.86 3kwm n ILE 182 Cb 0.42 -2.44 0.42 0.00 -0.71 0.00 0.00 39.64 37.32 3kwm n ILE 182 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kwm h ASP 183 N 6.70 0.00 -2.59 4.38 3.32 -1.95 -3.36 116.42 122.92 3kwm h ASP 183 Ca 0.44 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.89 3kwm h ASP 183 Cb 0.76 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.92 3kwm h ASP 183 CO 1.55 0.20 -0.84 -3.20 -1.72 0.00 0.00 179.24 175.23 3kwm n ASN 184 N -3.29 0.76 -0.14 6.45 2.85 -1.26 -5.00 115.26 115.63 3kwm n ASN 184 Ca 0.01 -2.68 -0.05 0.00 -0.11 0.00 0.00 54.58 51.75 3kwm n ASN 184 Cb 0.45 -0.62 0.04 0.00 1.24 0.00 0.00 39.78 40.89 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 5.49 0.36 -0.71 1.20 0.11 -1.98 -2.20 132.00 134.27 3kwm h PRO 185 Ca 0.22 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.43 3kwm h PRO 185 Cb 0.85 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.80 3kwm h PRO 185 CO 0.50 0.24 0.29 -0.07 -0.21 0.00 0.00 178.00 178.74 3kwm h LEU 186 N 0.37 0.29 -0.18 2.35 3.38 -1.94 0.83 115.31 120.41 3kwm h LEU 186 Ca 0.20 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3kwm h LEU 186 Cb 0.16 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kwm h LEU 186 CO -0.18 0.14 -0.04 0.50 0.09 0.00 0.00 178.44 178.96 3kwm h LYS 187 N 0.46 0.34 -0.33 1.13 3.64 -1.94 -2.58 116.57 117.30 3kwm h LYS 187 Ca 0.37 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 3kwm h LYS 187 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3kwm h LYS 187 CO -0.35 0.60 -0.32 1.25 -2.27 0.00 0.00 179.45 178.35 3kwm h LEU 188 N 0.06 0.76 -0.24 5.20 5.85 -1.06 -0.59 115.31 125.29 3kwm h LEU 188 Ca 0.05 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3kwm h LEU 188 Cb 0.47 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kwm h LEU 188 CO 0.02 1.02 0.15 -0.08 -0.34 0.00 0.00 178.44 179.21 3kwm h GLU 189 N 0.61 0.31 -0.27 1.25 4.81 -0.88 0.49 114.58 120.90 3kwm h GLU 189 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kwm h GLU 189 Cb 0.85 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3kwm h GLU 189 CO 0.07 0.20 0.15 1.15 -0.73 0.00 0.00 179.01 179.85 3kwm h THR 190 N 0.32 1.01 -0.04 0.32 2.02 -1.30 -1.08 112.91 114.16 3kwm h THR 190 Ca 0.09 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3kwm h THR 190 Cb -0.03 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3kwm h THR 190 CO -0.02 0.06 -0.03 -0.33 0.37 0.00 0.00 175.52 175.57 3kwm h GLU 191 N 0.30 -0.03 -0.45 6.66 5.08 -0.91 -2.59 114.58 122.64 3kwm h GLU 191 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kwm h GLU 191 Cb 0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3kwm h GLU 191 CO -0.06 -0.02 0.28 -0.07 -1.00 0.00 0.00 179.01 178.13 3kwm h LEU 192 N -0.04 0.53 -2.32 1.33 3.38 -0.82 -1.93 115.31 115.45 3kwm h LEU 192 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kwm h LEU 192 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kwm h LEU 192 CO -0.06 0.41 -0.03 0.78 0.09 0.00 0.00 178.44 179.63 3kwm h ASN 193 N 0.62 0.00 1.13 -0.43 2.35 -0.81 -2.62 115.58 115.82 3kwm h ASN 193 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kwm h ASN 193 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3kwm h ASN 193 CO -0.03 0.03 -0.29 0.00 -1.65 0.00 0.00 177.43 175.49 3kwm n GLN 194 N -3.26 0.24 -2.62 0.81 1.13 -0.73 -4.84 117.38 108.10 3kwm n GLN 194 Ca -0.02 0.13 -0.43 0.00 -1.94 0.00 0.00 57.00 54.75 3kwm n GLN 194 Cb 0.17 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.78 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 -3.11 4.62 0.11 5.09 1.01 -0.99 -4.98 121.20 122.95 3kwm s ILE 195 Ca 0.09 1.95 -0.31 0.00 0.00 0.00 0.00 60.65 62.38 3kwm s ILE 195 Cb 0.14 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3kwm s ILE 195 CO 0.65 -0.15 1.66 -0.89 0.00 0.00 0.00 174.94 176.21 3kwm s THR 196 N 3.09 2.79 0.00 2.92 2.01 -1.26 -2.26 115.64 122.93 3kwm s THR 196 Ca 0.46 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3kwm s THR 196 Cb -0.17 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3kwm s THR 196 CO 0.09 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 3kwm n GLY 197 N 3.96 2.28 3.69 4.40 0.00 -1.26 -4.82 105.19 113.44 3kwm n GLY 197 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.44 4.30 -0.05 1.61 1.01 -0.96 -0.82 120.40 123.06 3kwm s VAL 198 Ca 0.00 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 3kwm s VAL 198 Cb 0.00 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3kwm s VAL 198 CO 0.00 0.01 -0.02 0.58 0.00 0.00 0.00 175.10 175.66 3kwm h VAL 199 N 4.99 0.00 -4.04 2.92 2.07 -0.96 -3.48 116.25 117.75 3kwm h VAL 199 Ca -0.34 -0.46 -0.18 0.00 0.82 0.00 0.00 66.70 66.54 3kwm h VAL 199 Cb 1.16 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 3kwm h VAL 199 CO 0.87 0.00 -0.70 0.42 0.02 0.00 0.00 177.57 178.19 3kwm s THR 200 N -1.34 0.34 0.17 2.57 -4.23 -1.23 -5.03 115.64 106.89 3kwm s THR 200 Ca -0.02 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 3kwm s THR 200 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 3kwm s THR 200 CO 0.03 -0.75 0.15 0.54 -0.54 0.00 0.00 174.62 174.04 3kwm s ASN 201 N -2.38 5.58 -0.00 3.99 2.20 -1.26 -1.31 114.94 121.76 3kwm s ASN 201 Ca -0.00 -0.11 0.01 0.00 -0.94 0.00 0.00 52.86 51.81 3kwm s ASN 201 Cb 0.00 -1.47 0.03 0.00 -2.00 0.00 0.00 41.25 37.81 3kwm s ASN 201 CO -0.05 0.06 0.92 0.61 -2.94 0.00 0.00 177.10 175.70 3kwm n GLY 202 N -0.41 -0.36 3.64 0.45 0.00 0.97 -4.74 105.19 104.74 3kwm n GLY 202 Ca -0.08 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.77 4.92 -0.66 -0.61 1.01 -1.26 -0.23 121.20 122.59 3kwm s ILE 203 Ca 0.02 1.35 -0.07 0.00 0.00 0.00 0.00 60.65 61.95 3kwm s ILE 203 Cb 0.01 -4.02 0.17 0.00 0.01 0.00 0.00 42.46 38.63 3kwm s ILE 203 CO 0.01 -0.01 0.52 -0.36 0.00 0.00 0.00 174.94 175.10 3kwm s PHE 204 N 2.61 3.52 0.00 3.97 2.99 -0.14 -4.79 117.98 126.14 3kwm s PHE 204 Ca 0.31 -2.38 0.00 0.00 0.00 0.00 0.00 56.93 54.86 3kwm s PHE 204 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 43.02 39.44 3kwm s PHE 204 CO 0.08 -0.91 0.00 0.00 -0.00 0.00 0.00 175.22 174.39 3kwm n ALA 205 N 3.85 1.95 -0.28 5.36 0.00 -1.26 -1.10 120.51 129.03 3kwm n ALA 205 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3kwm n ALA 205 Cb 0.41 0.19 0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 1.03 -7.56 0.00 3.38 -1.91 -3.17 115.31 107.08 3kwm h LEU 206 Ca 0.00 -0.15 -0.66 0.00 0.09 0.00 0.00 57.88 57.16 3kwm h LEU 206 Cb 0.39 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 40.49 3kwm h LEU 206 CO 0.00 0.89 -0.60 -0.75 0.09 0.00 0.00 178.44 178.08 3kwm s LYS 207 N -5.64 1.94 0.90 1.13 2.20 -1.26 -5.13 119.74 113.89 3kwm s LYS 207 Ca -0.13 -2.29 -0.13 0.00 -0.36 0.00 0.00 55.97 53.06 3kwm s LYS 207 Cb 0.15 -3.40 0.18 0.00 -1.51 0.00 0.00 37.83 33.25 3kwm s LYS 207 CO 0.82 -1.07 1.24 -1.25 -0.36 0.00 0.00 175.35 174.74 3kwm s PRO 208 N 0.27 0.94 0.38 4.03 0.04 -1.20 -4.87 135.00 134.58 3kwm s PRO 208 Ca 0.14 -0.53 -0.27 0.00 0.04 0.00 0.00 61.00 60.38 3kwm s PRO 208 Cb -0.23 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3kwm s PRO 208 CO -0.03 -2.16 1.31 0.00 0.04 0.00 0.00 177.00 176.16 3kwm s ALA 209 N -3.71 3.35 0.08 8.56 0.00 -0.58 -4.93 121.76 124.52 3kwm s ALA 209 Ca 0.72 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.89 3kwm s ALA 209 Cb -0.05 -3.49 -0.27 0.00 0.00 0.00 0.00 23.12 19.31 3kwm s ALA 209 CO 0.51 -0.77 1.15 -0.44 0.00 0.00 0.00 175.76 176.21 3kwm h ASP 210 N 2.92 0.44 -3.57 0.00 3.32 -1.44 -3.46 116.42 114.63 3kwm h ASP 210 Ca -0.49 -0.46 -0.26 0.00 0.02 0.00 0.00 57.03 55.83 3kwm h ASP 210 Cb 1.24 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 3kwm h ASP 210 CO 0.64 1.35 -0.67 -0.89 -1.72 0.00 0.00 179.24 177.95 3kwm s THR 211 N -2.70 -0.04 -0.20 0.35 2.01 -1.03 -5.04 115.64 109.00 3kwm s THR 211 Ca -0.04 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 3kwm s THR 211 Cb 0.07 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.46 3kwm s THR 211 CO 0.88 0.06 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.07 3kwm s VAL 212 N 0.75 2.82 -0.38 3.82 1.01 -1.26 -0.11 120.40 127.05 3kwm s VAL 212 Ca -0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3kwm s VAL 212 Cb -0.08 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3kwm s VAL 212 CO -0.03 0.47 0.24 -0.63 0.00 0.00 0.00 175.10 175.16 3kwm s ILE 213 N 1.36 4.96 -0.23 2.22 1.01 0.47 -0.98 121.20 130.02 3kwm s ILE 213 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3kwm s ILE 213 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3kwm s ILE 213 CO -0.07 -0.20 -0.06 -0.32 0.00 0.00 0.00 174.94 174.30 3kwm s MET 214 N 1.64 3.18 -0.09 2.79 1.75 -0.13 -1.07 119.30 127.37 3kwm s MET 214 Ca 0.04 -0.75 -0.21 0.00 -1.25 0.00 0.00 55.69 53.52 3kwm s MET 214 Cb -0.19 -2.98 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 3kwm s MET 214 CO 0.09 -0.27 0.59 0.00 -0.65 0.00 0.00 175.02 174.78 3kwm s ALA 215 N 1.42 3.41 0.14 4.11 0.00 -0.23 0.00 121.76 130.61 3kwm s ALA 215 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.07 3kwm s ALA 215 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 3kwm s ALA 215 CO -0.04 -0.04 -0.20 0.95 0.00 0.00 0.00 175.76 176.42 3kwm s THR 216 N 0.68 1.85 0.16 0.00 -4.23 0.55 -1.20 115.64 113.46 3kwm s THR 216 Ca 0.32 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 3kwm s THR 216 Cb -0.16 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.85 3kwm s THR 216 CO 0.14 -0.18 1.48 0.11 -0.54 0.00 0.00 174.62 175.64 3kwm h LYS 217 N 3.59 0.79 0.00 3.99 1.57 -1.88 -2.67 116.57 121.96 3kwm h LYS 217 Ca -0.45 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 57.88 3kwm h LYS 217 Cb 1.19 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3kwm h LYS 217 CO 0.46 1.08 -0.88 -0.44 -0.57 0.00 0.00 179.45 179.10 3kwm h ASP 218 N 0.63 0.00 0.00 0.86 3.45 -1.97 -3.40 116.42 115.99 3kwm h ASP 218 Ca 0.03 -0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 3kwm h ASP 218 Cb 1.04 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.71 3kwm h ASP 218 CO 0.10 0.02 -0.46 -1.54 -1.57 0.00 0.00 179.24 175.79 3kwm n SER 219 N -2.61 0.08 0.00 6.45 3.41 -1.26 -5.13 113.62 114.57 3kwm n SER 219 Ca 0.01 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3kwm n SER 219 Cb 0.53 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3kwm n SER 219 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kwm n ASN 220 N 0.11 0.00 -4.71 4.04 3.02 -1.01 -4.58 115.26 112.13 3kwm n ASN 220 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 3kwm n ASN 220 Cb 0.74 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.88 3kwm n ASN 220 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kwm s ILE 221 N 0.00 4.36 -0.15 2.41 -1.09 -1.26 -0.33 121.20 125.13 3kwm s ILE 221 Ca 0.00 1.69 0.01 0.00 -2.23 0.00 0.00 60.65 60.11 3kwm s ILE 221 Cb 0.00 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3kwm s ILE 221 CO 0.00 0.10 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.96 3kwm s VAL 222 N 1.30 2.56 -0.21 2.92 1.01 0.10 -4.97 120.40 123.11 3kwm s VAL 222 Ca 0.56 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3kwm s VAL 222 Cb -0.26 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3kwm s VAL 222 CO 0.27 0.52 0.10 -0.69 0.00 0.00 0.00 175.10 175.30 3kwm s VAL 223 N 0.79 4.95 -1.64 2.92 1.01 -1.26 -0.96 120.40 126.21 3kwm s VAL 223 Ca -0.06 0.03 0.13 0.00 0.00 0.00 0.00 61.98 62.08 3kwm s VAL 223 Cb -0.15 -3.27 0.10 0.00 0.00 0.00 0.00 36.38 33.06 3kwm s VAL 223 CO -0.00 0.41 0.92 0.18 0.00 0.00 0.00 175.10 176.61