#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwm n ASN 8 N 0.00 1.40 -0.31 0.53 6.94 -1.26 -4.91 115.26 117.65 3kwm n ASN 8 Ca 0.00 -2.10 0.04 0.00 -0.02 0.00 0.00 54.58 52.50 3kwm n ASN 8 Cb 0.00 -0.39 0.24 0.00 -2.36 0.00 0.00 39.78 37.26 3kwm n ASN 8 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 3kwm h GLN 9 N 1.82 1.01 -0.68 -3.83 4.15 -2.01 -0.36 115.11 115.22 3kwm h GLN 9 Ca -0.16 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 3kwm h GLN 9 Cb 1.56 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.99 3kwm h GLN 9 CO 0.15 0.67 0.27 -0.44 -1.93 0.00 0.00 178.83 177.56 3kwm h ASP 10 N 1.04 0.93 -0.48 -0.69 3.32 -1.99 -0.77 116.42 117.78 3kwm h ASP 10 Ca 0.40 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3kwm h ASP 10 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kwm h ASP 10 CO -0.15 0.85 0.08 -0.33 -1.72 0.00 0.00 179.24 177.97 3kwm h GLU 11 N 0.96 0.86 -0.10 3.56 4.39 -1.62 -1.38 114.58 121.24 3kwm h GLU 11 Ca 0.23 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3kwm h GLU 11 Cb 0.20 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kwm h GLU 11 CO -0.02 0.80 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.54 3kwm h LEU 12 N 0.81 0.19 -0.36 1.33 3.38 -0.86 -1.28 115.31 118.52 3kwm h LEU 12 Ca 0.17 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3kwm h LEU 12 Cb 0.37 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3kwm h LEU 12 CO 0.01 0.52 -0.18 0.11 0.09 0.00 0.00 178.44 178.99 3kwm h LYS 13 N -0.14 -0.12 -0.95 1.13 1.57 -1.07 -1.29 116.57 115.71 3kwm h LYS 13 Ca 0.02 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3kwm h LYS 13 Cb 0.44 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3kwm h LYS 13 CO 0.01 -0.08 0.62 -0.22 -0.57 0.00 0.00 179.45 179.22 3kwm h LYS 14 N -0.12 1.16 -0.04 3.15 3.64 -1.21 -1.41 116.57 121.74 3kwm h LYS 14 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3kwm h LYS 14 Cb 0.40 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kwm h LYS 14 CO -0.43 0.77 0.02 1.25 -2.27 0.00 0.00 179.45 178.78 3kwm h LEU 15 N 1.20 0.05 -0.89 5.20 5.85 -0.56 -0.67 115.31 125.49 3kwm h LEU 15 Ca 0.38 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3kwm h LEU 15 Cb 0.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3kwm h LEU 15 CO -0.12 0.15 0.52 0.00 -0.34 0.00 0.00 178.44 178.66 3kwm h ALA 16 N 0.90 1.14 -0.30 1.25 0.00 -1.02 -1.50 119.26 119.73 3kwm h ALA 16 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kwm h ALA 16 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kwm h ALA 16 CO -0.00 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 3kwm h ALA 17 N 1.28 0.40 -0.83 0.00 0.00 -1.17 -1.84 119.26 117.10 3kwm h ALA 17 Ca 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kwm h ALA 17 Cb -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kwm h ALA 17 CO -0.06 0.16 0.41 1.15 0.00 0.00 0.00 179.25 180.91 3kwm h THR 18 N 0.32 1.25 -0.29 0.00 2.02 -1.00 -2.18 112.91 113.03 3kwm h THR 18 Ca 0.08 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 3kwm h THR 18 Cb 0.45 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3kwm h THR 18 CO 0.02 0.30 0.01 -0.08 0.37 0.00 0.00 175.52 176.14 3kwm h GLU 19 N 1.18 0.50 -0.74 6.66 4.57 -1.21 -3.26 114.58 122.29 3kwm h GLU 19 Ca 0.29 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3kwm h GLU 19 Cb 0.10 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3kwm h GLU 19 CO -0.04 0.64 0.49 0.00 -1.18 0.00 0.00 179.01 178.92 3kwm h ALA 20 N 0.84 0.94 -0.11 2.92 0.00 -1.15 -2.65 119.26 120.05 3kwm h ALA 20 Ca 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kwm h ALA 20 Cb 0.40 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kwm h ALA 20 CO 0.01 0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.80 3kwm h ALA 21 N 1.27 1.55 0.00 0.00 0.00 -1.44 -0.76 119.26 119.89 3kwm h ALA 21 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kwm h ALA 21 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kwm h ALA 21 CO -0.06 -0.25 0.00 0.87 0.00 0.00 0.00 179.25 179.81 3kwm h LYS 22 N 0.00 0.00 0.00 0.00 1.57 -1.55 -1.81 116.57 114.78 3kwm h LYS 22 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kwm h LYS 22 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kwm h LYS 22 CO -0.00 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.31 3kwm n SER 23 N -2.38 0.00 -4.54 0.86 7.64 -0.29 -4.39 113.62 110.52 3kwm n SER 23 Ca 0.01 0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.66 3kwm n SER 23 Cb 0.21 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 -2.77 4.03 -0.17 0.44 1.01 -0.68 -4.71 121.20 118.35 3kwm s ILE 24 Ca 0.19 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3kwm s ILE 24 Cb 0.17 -4.98 -0.06 0.00 0.01 0.00 0.00 42.46 37.60 3kwm s ILE 24 CO 0.43 -1.84 0.18 0.35 0.00 0.00 0.00 174.94 174.06 3kwm n THR 25 N 6.57 0.00 -4.25 2.92 -2.24 -1.26 -5.04 114.28 110.97 3kwm n THR 25 Ca 0.26 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 3kwm n THR 25 Cb 0.50 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.75 0.15 -0.08 4.28 -4.23 -1.26 -5.11 115.64 107.64 3kwm s THR 26 Ca 0.01 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 3kwm s THR 26 Cb 0.04 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 3kwm s THR 26 CO 0.21 0.00 1.76 -0.70 -0.54 0.00 0.00 174.62 175.35 3kwm s GLU 27 N -3.99 4.02 0.14 3.99 2.56 -1.26 -4.76 118.70 119.40 3kwm s GLU 27 Ca 0.38 2.16 0.03 0.00 0.00 0.00 0.00 54.97 57.54 3kwm s GLU 27 Cb 0.06 -4.06 -0.04 0.00 2.00 0.00 0.00 34.13 32.08 3kwm s GLU 27 CO 0.15 -1.06 -0.05 0.96 -0.56 0.00 0.00 175.26 174.70 3kwm s ILE 28 N 4.69 0.83 -0.37 -3.70 -4.36 -0.24 -4.96 121.20 113.08 3kwm s ILE 28 Ca 0.78 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.97 3kwm s ILE 28 Cb -0.34 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.51 3kwm s ILE 28 CO 0.32 -0.71 0.69 -0.89 0.24 0.00 0.00 174.94 174.59 3kwm s THR 29 N -3.55 4.82 -0.06 8.37 2.01 -1.26 -1.72 115.64 124.25 3kwm s THR 29 Ca 0.17 0.61 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 3kwm s THR 29 Cb 0.05 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3kwm s THR 29 CO -0.00 -0.40 0.32 -0.22 -0.69 0.00 0.00 174.62 173.63 3kwm s LEU 30 N 2.87 4.41 -0.09 4.42 2.96 -0.11 -1.09 118.68 132.05 3kwm s LEU 30 Ca 0.27 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3kwm s LEU 30 Cb -0.14 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3kwm s LEU 30 CO 0.16 0.30 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.57 3kwm s GLY 31 N -0.75 1.64 -0.09 7.98 0.00 0.31 -0.36 107.32 116.07 3kwm s GLY 31 Ca 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 44.07 3kwm s GLY 31 CO 0.09 -0.53 -0.23 0.14 0.00 0.00 0.00 173.10 172.57 3kwm s VAL 32 N -0.46 1.98 0.00 1.40 1.01 -0.23 -1.32 120.40 122.78 3kwm s VAL 32 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3kwm s VAL 32 Cb -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3kwm s VAL 32 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3kwm n GLY 33 N 3.43 -1.41 3.06 4.51 0.00 0.74 -2.14 105.19 113.38 3kwm n GLY 33 Ca -0.19 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.15 0.60 0.00 2.61 2.01 -1.26 -4.61 115.64 114.84 3kwm s THR 34 Ca 0.00 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.00 3kwm s THR 34 Cb 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3kwm s THR 34 CO 0.00 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 3kwm n GLY 35 N 1.63 0.99 0.17 4.40 0.00 -1.26 -4.56 105.19 106.56 3kwm n GLY 35 Ca -0.21 -2.29 -0.10 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 0.46 -0.66 1.61 4.64 -2.00 -1.60 113.55 116.00 3kwm h SER 36 Ca 0.00 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3kwm h SER 36 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3kwm h SER 36 CO 0.00 0.56 0.35 0.74 -0.87 0.00 0.00 176.83 177.61 3kwm h THR 37 N 0.33 1.21 0.00 2.95 2.02 -1.93 -2.12 112.91 115.38 3kwm h THR 37 Ca 0.10 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3kwm h THR 37 Cb 0.28 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3kwm h THR 37 CO -0.00 0.24 -0.20 0.58 0.37 0.00 0.00 175.52 176.50 3kwm h VAL 38 N 0.90 1.03 -0.98 3.16 2.07 -1.81 -2.55 116.25 118.07 3kwm h VAL 38 Ca 0.23 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.15 3kwm h VAL 38 Cb 0.06 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3kwm h VAL 38 CO -0.03 0.20 0.62 1.23 0.02 0.00 0.00 177.57 179.60 3kwm h GLY 39 N 0.71 1.55 1.63 2.17 0.00 -0.57 1.00 103.07 109.55 3kwm h GLY 39 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 3kwm h GLY 39 CO 0.03 0.17 -0.68 0.74 0.00 0.00 0.00 176.54 176.80 3kwm h PHE 40 N 0.97 0.49 -0.24 5.60 0.04 -1.46 -3.00 116.94 119.33 3kwm h PHE 40 Ca 0.48 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 3kwm h PHE 40 Cb 0.48 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3kwm h PHE 40 CO -0.00 0.94 0.11 1.25 -0.60 0.00 0.00 178.31 180.01 3kwm h LEU 41 N 0.26 0.32 -0.73 1.54 7.12 -1.21 -2.64 115.31 119.98 3kwm h LEU 41 Ca -0.02 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 57.91 3kwm h LEU 41 Cb 1.24 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 41.23 3kwm h LEU 41 CO 0.11 0.37 0.43 0.40 -0.13 0.00 0.00 178.44 179.62 3kwm h ILE 42 N 0.26 1.00 -0.41 4.05 2.04 -0.83 -2.01 117.51 121.62 3kwm h ILE 42 Ca 0.08 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3kwm h ILE 42 Cb 0.14 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3kwm h ILE 42 CO -0.01 0.14 0.03 -0.08 0.00 0.00 0.00 178.15 178.23 3kwm h GLU 43 N 0.79 0.63 0.00 2.37 4.57 -1.47 -2.76 114.58 118.71 3kwm h GLU 43 Ca 0.32 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3kwm h GLU 43 Cb 0.16 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3kwm h GLU 43 CO -0.17 0.64 0.00 1.49 -1.18 0.00 0.00 179.01 179.78 3kwm h GLU 44 N 0.61 0.00 0.00 1.92 4.57 -0.99 -3.26 114.58 117.42 3kwm h GLU 44 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3kwm h GLU 44 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3kwm h GLU 44 CO 0.01 0.00 0.00 -0.07 -1.18 0.00 0.00 179.01 177.77 3kwm h LEU 45 N 0.00 0.00 -0.26 1.64 3.38 -1.17 -2.45 115.31 116.45 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 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kwm h LEU 45 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 3kwm n VAL 46 N -2.40 1.34 0.94 1.22 0.24 -1.23 -1.47 118.33 116.97 3kwm n VAL 46 Ca 0.02 0.39 0.12 0.00 -2.04 0.00 0.00 64.34 62.83 3kwm n VAL 46 Cb 0.23 -1.29 0.29 0.00 -1.47 0.00 0.00 33.84 31.60 3kwm n VAL 46 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kwm n ASN 47 N -1.69 2.50 -0.45 -1.34 3.02 -0.92 -4.27 115.26 112.11 3kwm n ASN 47 Ca 0.01 -1.83 0.03 0.00 -0.03 0.00 0.00 54.58 52.77 3kwm n ASN 47 Cb 0.10 -0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.90 0.00 0.04 3.10 4.01 -0.54 -4.85 117.16 119.82 3kwm n TYR 48 Ca 0.17 -0.34 0.20 0.00 -0.16 0.00 0.00 57.90 57.77 3kwm n TYR 48 Cb 0.48 -0.09 0.72 0.00 -0.31 0.00 0.00 39.34 40.15 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 0.09 0.00 0.00 -0.72 3.08 -1.73 0.06 114.38 115.16 3kwm h ARG 49 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kwm h ARG 49 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3kwm h ARG 49 CO 0.01 0.00 0.00 0.38 -1.07 0.00 0.00 179.97 179.29 3kwm h ASP 50 N 0.00 0.00 0.00 7.04 2.03 -1.93 -3.29 116.42 120.28 3kwm h ASP 50 Ca 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 3kwm h ASP 50 Cb 0.98 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 3kwm h ASP 50 CO -0.00 0.00 -0.75 0.29 -1.03 0.00 0.00 179.24 177.75 3kwm n LYS 51 N -2.56 2.76 -3.04 4.15 5.02 -0.04 -4.85 118.16 119.60 3kwm n LYS 51 Ca 0.02 -0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 3kwm n LYS 51 Cb 0.28 -0.95 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.97 4.77 0.07 -0.18 1.01 -0.94 -1.08 121.20 122.89 3kwm s ILE 52 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 3kwm s ILE 52 Cb 0.04 -4.59 -0.28 0.00 0.01 0.00 0.00 42.46 37.64 3kwm s ILE 52 CO 0.25 -1.26 1.14 0.50 0.00 0.00 0.00 174.94 175.56 3kwm h LYS 53 N 9.07 0.38 -2.60 2.79 3.64 -1.65 -3.47 116.57 124.73 3kwm h LYS 53 Ca -0.17 -0.59 -0.10 0.00 -1.27 0.00 0.00 60.65 58.52 3kwm h LYS 53 Cb 1.07 0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 32.87 3kwm h LYS 53 CO 1.09 1.26 -0.15 0.99 -2.27 0.00 0.00 179.45 180.37 3kwm s THR 54 N -2.77 0.01 -0.07 1.00 2.01 -1.20 -5.00 115.64 109.61 3kwm s THR 54 Ca -0.06 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 61.93 3kwm s THR 54 Cb 0.07 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 3kwm s THR 54 CO 0.90 -0.03 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.88 3kwm s VAL 55 N -0.06 1.88 -0.09 3.82 1.01 -1.17 -0.93 120.40 124.87 3kwm s VAL 55 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3kwm s VAL 55 Cb -0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3kwm s VAL 55 CO 0.02 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3kwm s VAL 56 N 0.12 3.46 -0.00 2.92 1.01 0.52 -0.76 120.40 127.68 3kwm s VAL 56 Ca -0.10 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.40 3kwm s VAL 56 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3kwm s VAL 56 CO 0.05 0.57 -0.23 -0.55 0.00 0.00 0.00 175.10 174.95 3kwm s SER 57 N -0.42 3.38 0.00 3.32 0.15 -1.26 -1.06 113.70 117.81 3kwm s SER 57 Ca 0.06 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.54 3kwm s SER 57 Cb -0.12 -0.47 0.78 0.00 -1.71 0.00 0.00 66.02 64.50 3kwm s SER 57 CO 0.02 0.30 1.59 -1.54 1.20 0.00 0.00 173.24 174.82 3kwm n SER 58 N 2.15 0.55 -3.75 5.45 3.41 -0.91 -4.94 113.62 115.58 3kwm n SER 58 Ca -0.16 -0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 57.99 3kwm n SER 58 Cb 0.52 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.80 -0.20 0.34 4.04 1.04 -1.26 -4.36 113.70 110.49 3kwm s SER 59 Ca 0.17 -0.50 0.15 0.00 0.48 0.00 0.00 55.95 56.25 3kwm s SER 59 Cb 0.19 0.53 0.58 0.00 0.10 0.00 0.00 66.02 67.42 3kwm s SER 59 CO 0.60 -0.97 1.71 -0.33 0.98 0.00 0.00 173.24 175.23 3kwm h GLU 60 N 2.30 0.00 -0.18 4.02 4.39 -1.98 -1.12 114.58 122.01 3kwm h GLU 60 Ca -0.31 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 3kwm h GLU 60 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3kwm h GLU 60 CO 0.42 0.46 0.05 0.22 -1.16 0.00 0.00 179.01 179.00 3kwm h ASP 61 N 0.00 0.26 -0.45 1.42 3.58 -1.99 -0.66 116.42 118.58 3kwm h ASP 61 Ca -0.00 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 3kwm h ASP 61 Cb 0.91 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3kwm h ASP 61 CO 0.06 0.41 0.13 0.28 -2.88 0.00 0.00 179.24 177.25 3kwm h SER 62 N 0.10 0.67 -0.64 2.28 0.02 -1.85 -2.52 113.55 111.61 3kwm h SER 62 Ca 0.06 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3kwm h SER 62 Cb 0.25 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 3kwm h SER 62 CO -0.00 0.70 0.33 0.74 -1.14 0.00 0.00 176.83 177.47 3kwm h THR 63 N 0.60 0.93 -0.73 -2.27 2.02 -1.13 0.11 112.91 112.44 3kwm h THR 63 Ca 0.15 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3kwm h THR 63 Cb 0.28 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3kwm h THR 63 CO -0.00 0.11 0.44 -0.09 0.37 0.00 0.00 175.52 176.35 3kwm h ARG 64 N 0.62 0.99 -0.31 6.66 2.43 -1.01 -0.10 114.38 123.67 3kwm h ARG 64 Ca 0.29 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 3kwm h ARG 64 Cb 0.21 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kwm h ARG 64 CO -0.20 0.71 -0.34 0.87 -1.51 0.00 0.00 179.97 179.50 3kwm h LYS 65 N 1.00 0.77 -0.33 0.20 1.57 -0.94 -2.13 116.57 116.71 3kwm h LYS 65 Ca 0.26 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3kwm h LYS 65 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3kwm h LYS 65 CO -0.05 1.05 0.05 -0.07 -0.57 0.00 0.00 179.45 179.87 3kwm h LEU 66 N 0.54 0.52 -0.99 2.94 3.38 -0.67 -2.85 115.31 118.18 3kwm h LEU 66 Ca 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3kwm h LEU 66 Cb 0.92 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3kwm h LEU 66 CO 0.08 0.65 0.24 0.11 0.09 0.00 0.00 178.44 179.61 3kwm h LYS 67 N 0.38 0.96 -0.20 1.13 1.57 -1.03 -1.74 116.57 117.64 3kwm h LYS 67 Ca 0.10 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3kwm h LYS 67 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3kwm h LYS 67 CO 0.01 0.80 0.14 0.00 -0.57 0.00 0.00 179.45 179.83 3kwm h ALA 68 N 1.32 2.01 -0.22 3.86 0.00 -1.29 -1.70 119.26 123.24 3kwm h ALA 68 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kwm h ALA 68 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kwm h ALA 68 CO -0.02 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3kwm n LEU 69 N -4.50 1.83 0.00 0.00 4.77 -0.73 -4.93 117.00 113.44 3kwm n LEU 69 Ca 0.01 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3kwm n LEU 69 Cb 0.18 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3kwm n LEU 69 CO 0.35 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3kwm n GLY 70 N 1.14 0.68 3.81 -0.72 0.00 -0.64 -5.01 105.19 104.45 3kwm n GLY 70 Ca 0.15 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 3.75 -0.57 1.61 0.08 -0.76 -5.00 117.98 115.08 3kwm s PHE 71 Ca 0.00 1.32 -0.21 0.00 0.12 0.00 0.00 56.93 58.17 3kwm s PHE 71 Cb 0.00 -2.55 0.07 0.00 -0.57 0.00 0.00 43.02 39.97 3kwm s PHE 71 CO 0.00 0.48 0.77 0.34 -0.10 0.00 0.00 175.22 176.71 3kwm s ASP 72 N -1.37 6.21 -0.22 1.36 2.15 -1.26 -4.10 116.67 119.44 3kwm s ASP 72 Ca 0.35 -1.02 -0.19 0.00 0.43 0.00 0.00 52.55 52.12 3kwm s ASP 72 Cb -0.19 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 3kwm s ASP 72 CO 0.21 -1.13 0.57 -0.69 -0.17 0.00 0.00 175.17 173.95 3kwm s VAL 73 N 3.15 5.05 0.19 1.11 1.01 -1.26 -3.03 120.40 126.63 3kwm s VAL 73 Ca 0.18 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.28 3kwm s VAL 73 Cb -0.19 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3kwm s VAL 73 CO 0.11 0.11 -0.13 0.68 0.00 0.00 0.00 175.10 175.87 3kwm s VAL 74 N 2.01 3.01 0.40 2.92 -7.23 0.06 -4.99 120.40 116.58 3kwm s VAL 74 Ca 0.25 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.39 3kwm s VAL 74 Cb -0.16 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 3kwm s VAL 74 CO 0.09 -0.12 1.47 -0.62 -0.31 0.00 0.00 175.10 175.61 3kwm s ASP 75 N -2.83 6.18 0.42 4.85 -1.08 -1.26 -4.41 116.67 118.53 3kwm s ASP 75 Ca 0.24 3.01 0.13 0.00 -0.52 0.00 0.00 52.55 55.42 3kwm s ASP 75 Cb -0.08 -2.66 1.00 0.00 -1.46 0.00 0.00 42.92 39.71 3kwm s ASP 75 CO 0.14 -0.98 1.95 0.25 0.52 0.00 0.00 175.17 177.05 3kwm h LEU 76 N 2.76 0.42 -1.04 -1.34 5.85 -1.94 -1.41 115.31 118.62 3kwm h LEU 76 Ca -0.51 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.27 3kwm h LEU 76 Cb 1.25 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3kwm h LEU 76 CO 0.63 0.24 0.64 0.78 -0.34 0.00 0.00 178.44 180.40 3kwm h ASN 77 N 0.46 1.06 0.43 1.25 2.35 -1.91 0.36 115.58 119.59 3kwm h ASN 77 Ca 0.33 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 3kwm h ASN 77 Cb 0.65 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kwm h ASN 77 CO -0.10 0.72 -0.71 1.88 -1.65 0.00 0.00 177.43 177.57 3kwm h TYR 78 N 1.23 0.32 0.00 1.19 0.05 -1.65 -3.30 116.97 114.80 3kwm h TYR 78 Ca 0.40 -0.14 -0.20 0.00 0.05 0.00 0.00 58.73 58.84 3kwm h TYR 78 Cb 0.03 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3kwm h TYR 78 CO -0.00 0.86 -0.96 0.00 -1.05 0.00 0.00 178.16 177.01 3kwm h ALA 79 N 1.10 0.42 0.00 3.88 0.00 -0.72 -3.49 119.26 120.45 3kwm h ALA 79 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3kwm h ALA 79 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kwm h ALA 79 CO 0.11 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.94 3kwm n GLY 80 N 1.34 2.14 3.06 0.00 0.00 0.12 -4.82 105.19 107.03 3kwm n GLY 80 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.40 -0.14 1.61 2.56 -1.26 -4.88 118.70 116.99 3kwm s GLU 81 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.97 54.45 3kwm s GLU 81 Cb 0.00 0.16 -0.05 0.00 2.00 0.00 0.00 34.13 36.25 3kwm s GLU 81 CO 0.00 -0.09 0.30 0.42 -0.56 0.00 0.00 175.26 175.33 3kwm s ILE 82 N -1.24 5.29 -0.02 -3.70 1.01 -0.43 -4.83 121.20 117.28 3kwm s ILE 82 Ca -0.13 0.56 -0.23 0.00 0.00 0.00 0.00 60.65 60.85 3kwm s ILE 82 Cb -0.07 -3.63 -0.21 0.00 0.01 0.00 0.00 42.46 38.56 3kwm s ILE 82 CO 0.01 0.42 1.14 0.44 0.00 0.00 0.00 174.94 176.95 3kwm h ASP 83 N 6.37 0.29 -3.34 3.58 3.32 -1.42 -0.57 116.42 124.65 3kwm h ASP 83 Ca -0.43 -0.67 -0.37 0.00 0.02 0.00 0.00 57.03 55.57 3kwm h ASP 83 Cb 1.17 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 40.26 3kwm h ASP 83 CO 0.73 0.92 -0.74 -0.22 -1.72 0.00 0.00 179.24 178.20 3kwm s LEU 84 N -8.70 0.41 -0.17 1.55 2.96 -1.17 -2.37 118.68 111.19 3kwm s LEU 84 Ca -0.15 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3kwm s LEU 84 Cb 0.02 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.49 3kwm s LEU 84 CO 0.75 -0.21 -0.01 -0.47 -1.32 0.00 0.00 176.35 175.08 3kwm s TYR 85 N 1.92 3.06 -0.15 5.38 6.14 0.53 -0.53 117.35 133.71 3kwm s TYR 85 Ca 0.02 -0.30 0.01 0.00 0.64 0.00 0.00 57.07 57.45 3kwm s TYR 85 Cb -0.12 -2.01 0.00 0.00 0.42 0.00 0.00 41.96 40.25 3kwm s TYR 85 CO -0.03 -0.08 -0.19 0.42 0.64 0.00 0.00 175.55 176.31 3kwm s ILE 86 N 0.56 2.37 0.14 3.14 1.01 -0.44 -0.64 121.20 127.35 3kwm s ILE 86 Ca -0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3kwm s ILE 86 Cb -0.14 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3kwm s ILE 86 CO 0.02 0.53 0.38 -0.62 0.00 0.00 0.00 174.94 175.26 3kwm s ASP 87 N 0.79 -0.14 0.44 3.58 -1.08 -0.88 -0.18 116.67 119.18 3kwm s ASP 87 Ca -0.07 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.46 3kwm s ASP 87 Cb -0.16 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 3kwm s ASP 87 CO -0.00 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.40 3kwm n GLY 88 N -0.23 0.41 3.39 2.66 0.00 -1.26 -0.59 105.19 109.57 3kwm n GLY 88 Ca -0.13 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.01 -1.34 -0.03 4.61 0.00 -1.26 -4.78 121.76 115.96 3kwm s ALA 89 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 3kwm s ALA 89 Cb 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 23.12 23.40 3kwm s ALA 89 CO 0.00 -0.61 0.81 -0.44 0.00 0.00 0.00 175.76 175.51 3kwm h ASP 90 N 2.45 0.64 -4.99 0.00 3.32 -1.34 -3.48 116.42 113.01 3kwm h ASP 90 Ca -0.32 -0.92 -0.16 0.00 0.02 0.00 0.00 57.03 55.64 3kwm h ASP 90 Cb 1.25 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 3kwm h ASP 90 CO 0.41 1.67 -0.68 -1.61 -1.72 0.00 0.00 179.24 177.31 3kwm s GLU 91 N -2.54 0.34 -0.02 3.56 2.02 -0.93 -4.70 118.70 116.43 3kwm s GLU 91 Ca -0.14 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 3kwm s GLU 91 Cb 0.04 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.42 3kwm s GLU 91 CO 0.87 -0.06 0.03 0.00 0.02 0.00 0.00 175.26 176.12 3kwm n ASN 93 N 4.37 0.00 0.00 0.00 0.23 -0.87 -0.75 115.26 118.23 3kwm n ASN 93 Ca -0.24 -0.39 0.15 0.00 -0.53 0.00 0.00 54.58 53.57 3kwm n ASN 93 Cb 0.50 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.04 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 -1.18 0.00 -0.09 0.53 3.02 -1.25 -3.15 115.26 113.14 3kwm n ASN 94 Ca 0.00 -0.59 0.08 0.00 -0.03 0.00 0.00 54.58 54.04 3kwm n ASN 94 Cb 0.00 -0.13 0.11 0.00 -0.61 0.00 0.00 39.78 39.15 3kwm n ASN 94 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3kwm n HIS 95 N -1.13 0.00 -1.51 3.10 -0.00 -1.26 -4.98 115.22 109.45 3kwm n HIS 95 Ca 0.19 -0.85 -0.17 0.00 0.46 0.00 0.00 57.72 57.34 3kwm n HIS 95 Cb 0.16 -0.13 -0.07 0.00 -0.12 0.00 0.00 29.99 29.83 3kwm n HIS 95 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3kwm n LYS 96 N -1.21 -1.22 -3.14 1.57 5.02 -1.19 -4.87 118.16 113.13 3kwm n LYS 96 Ca 0.13 1.11 -0.39 0.00 -2.02 0.00 0.00 58.31 57.14 3kwm n LYS 96 Cb 0.60 -5.35 -0.06 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.47 4.37 0.20 1.97 2.02 -1.26 -2.06 118.70 120.47 3kwm s GLU 97 Ca 0.00 0.91 0.11 0.00 0.02 0.00 0.00 54.97 56.01 3kwm s GLU 97 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3kwm s GLU 97 CO 0.00 0.53 -0.23 -0.51 0.02 0.00 0.00 175.26 175.08 3kwm s LEU 98 N -0.85 2.46 -0.20 1.80 1.02 -0.34 -2.06 118.68 120.50 3kwm s LEU 98 Ca 0.33 -0.89 -0.07 0.00 0.02 0.00 0.00 54.13 53.51 3kwm s LEU 98 Cb -0.21 -1.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.85 3kwm s LEU 98 CO 0.21 0.09 0.06 -0.63 0.02 0.00 0.00 176.35 176.11 3kwm s ILE 99 N -1.83 4.62 0.15 -0.59 1.01 -0.82 -0.76 121.20 122.98 3kwm s ILE 99 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3kwm s ILE 99 Cb -0.07 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3kwm s ILE 99 CO 0.10 0.42 -0.02 -0.54 0.00 0.00 0.00 174.94 174.89 3kwm s LYS 100 N 0.78 1.01 0.00 2.79 1.02 0.07 -0.80 119.74 124.62 3kwm s LYS 100 Ca 0.03 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.56 3kwm s LYS 100 Cb -0.13 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 3kwm s LYS 100 CO 0.02 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 3kwm n GLY 101 N -0.17 0.91 0.33 -3.33 0.00 -1.26 -4.38 105.19 97.28 3kwm n GLY 101 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 1.76 -0.61 -0.02 0.00 -1.91 1.07 103.07 103.36 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 -0.33 0.00 0.61 0.00 0.00 0.00 176.54 176.82 3kwm n GLY 103 N -1.32 -0.09 2.13 4.60 0.00 -1.26 -4.95 105.19 104.30 3kwm n GLY 103 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -0.02 -0.34 4.61 0.00 0.37 -4.85 120.51 120.31 3kwm n ALA 104 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 3kwm n ALA 104 Cb 0.19 -0.46 0.15 0.00 0.00 0.00 0.00 19.45 19.33 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 1.03 4.14 0.04 0.00 0.00 -1.26 -4.67 120.51 119.79 3kwm n ALA 105 Ca -0.01 -1.65 -0.11 0.00 0.00 0.00 0.00 53.44 51.67 3kwm n ALA 105 Cb 0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 3kwm n ALA 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kwm h LEU 106 N 1.44 -0.65 -0.15 0.00 5.85 -1.89 -2.30 115.31 117.61 3kwm h LEU 106 Ca 0.29 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 3kwm h LEU 106 Cb 1.97 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 43.27 3kwm h LEU 106 CO 0.59 -0.28 0.01 0.74 -0.34 0.00 0.00 178.44 179.15 3kwm h THR 107 N -0.33 1.24 -0.08 1.05 2.02 -1.94 -1.83 112.91 113.04 3kwm h THR 107 Ca 0.07 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 3kwm h THR 107 Cb 0.43 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3kwm h THR 107 CO -0.23 0.23 -0.55 0.03 0.37 0.00 0.00 175.52 175.38 3kwm h ARG 108 N 0.00 0.23 -0.50 6.66 3.08 -1.81 -1.74 114.38 120.31 3kwm h ARG 108 Ca 0.04 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3kwm h ARG 108 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3kwm h ARG 108 CO 0.01 0.72 0.29 0.93 -1.07 0.00 0.00 179.97 180.85 3kwm h GLU 109 N 0.18 0.69 -0.25 0.04 5.08 -1.36 -0.95 114.58 118.00 3kwm h GLU 109 Ca 0.00 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3kwm h GLU 109 Cb 1.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3kwm h GLU 109 CO 0.08 0.52 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.03 3kwm h LYS 110 N 0.66 0.56 -0.45 2.33 3.64 -1.14 -1.16 116.57 121.02 3kwm h LYS 110 Ca 0.18 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3kwm h LYS 110 Cb 0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3kwm h LYS 110 CO -0.03 0.84 0.11 0.82 -2.27 0.00 0.00 179.45 178.91 3kwm h ILE 111 N 0.47 1.23 -0.52 2.00 2.04 -1.24 -1.48 117.51 120.02 3kwm h ILE 111 Ca 0.05 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3kwm h ILE 111 Cb 0.85 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3kwm h ILE 111 CO 0.07 0.29 0.25 0.00 0.00 0.00 0.00 178.15 178.76 3kwm h VAL 113 N 0.69 1.06 -0.97 0.00 2.07 -1.14 -2.14 116.25 115.82 3kwm h VAL 113 Ca 0.18 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kwm h VAL 113 Cb 0.11 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3kwm h VAL 113 CO -0.02 0.13 0.63 0.00 0.02 0.00 0.00 177.57 178.32 3kwm h ALA 114 N 1.26 1.23 -0.14 1.67 0.00 -0.74 -2.47 119.26 120.07 3kwm h ALA 114 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kwm h ALA 114 Cb 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3kwm h ALA 114 CO -0.10 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3kwm n ALA 115 N -2.38 2.53 -2.80 0.00 0.00 -0.53 -4.88 120.51 112.45 3kwm n ALA 115 Ca 0.11 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 3kwm n ALA 115 Cb 0.03 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.82 3.31 0.22 0.00 0.00 -0.83 -1.32 121.76 121.33 3kwm s ALA 116 Ca 0.29 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3kwm s ALA 116 Cb 0.15 -1.67 0.22 0.00 0.00 0.00 0.00 23.12 21.82 3kwm s ALA 116 CO 0.23 0.39 1.64 0.87 0.00 0.00 0.00 175.76 178.89 3kwm h LYS 117 N 5.94 0.72 -3.78 0.00 1.57 -1.18 -3.43 116.57 116.42 3kwm h LYS 117 Ca -0.43 -0.29 -0.32 0.00 -1.87 0.00 0.00 60.65 57.73 3kwm h LYS 117 Cb 1.19 -0.03 -0.33 0.00 0.08 0.00 0.00 32.23 33.14 3kwm h LYS 117 CO 0.61 0.89 -0.74 0.21 -0.57 0.00 0.00 179.45 179.86 3kwm s LYS 118 N -4.57 0.26 -0.22 3.15 2.20 -1.00 -5.04 119.74 114.52 3kwm s LYS 118 Ca -0.09 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 3kwm s LYS 118 Cb 0.13 -0.40 0.02 0.00 -1.51 0.00 0.00 37.83 36.06 3kwm s LYS 118 CO 0.83 -0.09 -0.09 0.12 -0.36 0.00 0.00 175.35 175.75 3kwm s PHE 119 N 0.76 2.97 -0.23 4.03 5.99 -1.26 -0.35 117.98 129.89 3kwm s PHE 119 Ca -0.08 -1.43 -0.08 0.00 0.00 0.00 0.00 56.93 55.35 3kwm s PHE 119 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 43.02 40.84 3kwm s PHE 119 CO -0.01 -0.70 0.09 0.42 -0.00 0.00 0.00 175.22 175.01 3kwm s ILE 120 N 1.35 4.70 -0.20 3.12 1.01 0.19 -1.60 121.20 129.77 3kwm s ILE 120 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3kwm s ILE 120 Cb -0.15 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 3kwm s ILE 120 CO -0.06 0.37 0.14 0.00 0.00 0.00 0.00 174.94 175.39 3kwm s ILE 122 N 0.37 3.29 0.03 0.00 -4.36 0.24 -0.27 121.20 120.50 3kwm s ILE 122 Ca 0.08 -0.55 -0.05 0.00 -0.26 0.00 0.00 60.65 59.88 3kwm s ILE 122 Cb -0.11 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 3kwm s ILE 122 CO -0.02 0.47 0.07 0.27 0.24 0.00 0.00 174.94 175.98 3kwm s ILE 123 N 0.92 0.13 0.55 8.37 -4.36 -0.71 -4.06 121.20 122.03 3kwm s ILE 123 Ca -0.01 -1.04 -0.01 0.00 -0.26 0.00 0.00 60.65 59.32 3kwm s ILE 123 Cb -0.15 -0.74 0.02 0.00 1.25 0.00 0.00 42.46 42.84 3kwm s ILE 123 CO 0.00 -0.57 0.80 1.51 0.24 0.00 0.00 174.94 176.92 3kwm s ASP 124 N -1.93 5.42 0.54 4.36 1.47 -1.26 -1.33 116.67 123.93 3kwm s ASP 124 Ca -0.08 0.26 0.22 0.00 1.18 0.00 0.00 52.55 54.14 3kwm s ASP 124 Cb -0.03 -1.23 1.42 0.00 -0.34 0.00 0.00 42.92 42.73 3kwm s ASP 124 CO -0.03 -1.07 2.10 -0.08 0.68 0.00 0.00 175.17 176.77 3kwm h GLU 125 N 0.02 0.00 0.00 2.11 4.81 -1.11 -2.30 114.58 118.11 3kwm h GLU 125 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3kwm h GLU 125 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kwm h GLU 125 CO 0.56 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.50 3kwm h SER 126 N 0.00 0.00 0.91 1.04 4.64 -1.95 -1.05 113.55 117.15 3kwm h SER 126 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kwm h SER 126 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3kwm h SER 126 CO -0.00 0.00 -0.43 0.29 -0.87 0.00 0.00 176.83 175.82 3kwm n LYS 127 N -2.60 0.20 -2.63 4.77 4.76 -0.86 -4.86 118.16 116.93 3kwm n LYS 127 Ca -0.02 0.08 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 3kwm n LYS 127 Cb 0.07 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 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 -3.11 4.27 0.25 1.97 2.47 -0.40 -1.35 119.74 123.85 3kwm s LYS 128 Ca 0.09 1.40 0.03 0.00 -1.56 0.00 0.00 55.97 55.93 3kwm s LYS 128 Cb 0.15 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.81 3kwm s LYS 128 CO 0.68 -0.62 0.03 0.14 0.16 0.00 0.00 175.35 175.74 3kwm s VAL 129 N 3.14 0.98 -0.12 4.02 -7.23 0.07 -4.95 120.40 116.31 3kwm s VAL 129 Ca 0.46 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.42 3kwm s VAL 129 Cb -0.16 -2.48 -0.26 0.00 0.56 0.00 0.00 36.38 34.03 3kwm s VAL 129 CO 0.08 -0.20 0.56 0.78 -0.31 0.00 0.00 175.10 176.01 3kwm h ASN 130 N 2.39 0.28 -3.64 4.85 2.35 -1.94 -3.32 115.58 116.55 3kwm h ASN 130 Ca -0.39 -0.83 -0.55 0.00 -0.55 0.00 0.00 56.30 53.99 3kwm h ASN 130 Cb 1.23 -0.09 -0.32 0.00 0.05 0.00 0.00 38.32 39.19 3kwm h ASN 130 CO 0.65 1.51 -0.83 -0.89 -1.65 0.00 0.00 177.43 176.21 3kwm s THR 131 N -2.42 1.35 0.61 2.81 2.01 -1.26 -4.14 115.64 114.59 3kwm s THR 131 Ca -0.21 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 3kwm s THR 131 Cb 0.03 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3kwm s THR 131 CO 0.74 0.40 1.14 -0.76 -0.69 0.00 0.00 174.62 175.44 3kwm s LEU 132 N 0.33 3.56 0.00 4.42 1.43 -1.26 -4.60 118.68 122.56 3kwm s LEU 132 Ca -0.10 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 3kwm s LEU 132 Cb -0.14 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3kwm s LEU 132 CO 0.03 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 175.72 3kwm n GLY 133 N -0.06 1.26 0.23 -3.19 0.00 -1.26 -1.71 105.19 100.47 3kwm n GLY 133 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3kwm n GLY 133 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kwm h ASN 134 N 0.71 0.72 -3.06 1.61 -1.24 -1.81 -3.40 115.58 109.10 3kwm h ASN 134 Ca 0.00 -0.20 -0.54 0.00 0.71 0.00 0.00 56.30 56.28 3kwm h ASN 134 Cb 0.00 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 38.87 3kwm h ASN 134 CO 0.00 0.72 0.68 0.12 -1.29 0.00 0.00 177.43 177.66 3kwm s PHE 135 N -5.43 3.24 0.38 0.67 5.36 -1.26 -4.93 117.98 116.00 3kwm s PHE 135 Ca -0.13 1.08 -0.28 0.00 -0.96 0.00 0.00 56.93 56.64 3kwm s PHE 135 Cb 0.11 -3.56 -0.10 0.00 -0.34 0.00 0.00 43.02 39.13 3kwm s PHE 135 CO 0.78 -1.88 1.44 -1.25 -1.46 0.00 0.00 175.22 172.85 3kwm s PRO 136 N 1.42 4.10 -0.28 10.12 0.04 -1.26 -4.94 135.00 144.20 3kwm s PRO 136 Ca 0.61 2.48 -0.29 0.00 0.04 0.00 0.00 61.00 63.84 3kwm s PRO 136 Cb -0.32 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3kwm s PRO 136 CO 0.28 -0.51 1.10 -1.17 0.04 0.00 0.00 177.00 176.75 3kwm s LEU 137 N -2.13 3.99 0.25 -3.56 2.96 -0.32 -4.72 118.68 115.15 3kwm s LEU 137 Ca 0.53 1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 3kwm s LEU 137 Cb -0.45 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.61 3kwm s LEU 137 CO 0.60 -0.83 0.95 -2.84 -1.32 0.00 0.00 176.35 172.91 3kwm s PRO 138 N 3.56 4.82 -0.07 0.98 0.02 -1.26 -0.22 135.00 142.83 3kwm s PRO 138 Ca 0.47 1.49 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 3kwm s PRO 138 Cb -0.14 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 31.17 3kwm s PRO 138 CO 0.13 0.48 -0.02 0.42 -0.33 0.00 0.00 177.00 177.69 3kwm s ILE 139 N -1.22 0.49 -0.11 2.83 1.01 0.77 -0.78 121.20 124.20 3kwm s ILE 139 Ca 0.42 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.86 3kwm s ILE 139 Cb -0.26 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3kwm s ILE 139 CO 0.32 0.26 0.66 -0.70 0.00 0.00 0.00 174.94 175.48 3kwm s GLU 140 N 1.68 4.37 0.08 2.79 2.12 -0.28 -0.57 118.70 128.89 3kwm s GLU 140 Ca 0.01 0.76 0.04 0.00 0.36 0.00 0.00 54.97 56.15 3kwm s GLU 140 Cb -0.13 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 3kwm s GLU 140 CO -0.04 0.00 -0.11 0.14 -0.54 0.00 0.00 175.26 174.70 3kwm s VAL 141 N 1.06 0.94 0.02 3.70 -7.23 0.16 -0.61 120.40 118.43 3kwm s VAL 141 Ca 0.34 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 3kwm s VAL 141 Cb -0.17 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.59 3kwm s VAL 141 CO 0.15 -0.39 1.77 -0.63 -0.31 0.00 0.00 175.10 175.68 3kwm s ILE 142 N -1.77 3.20 0.30 -0.62 -1.09 -0.05 -2.17 121.20 119.00 3kwm s ILE 142 Ca -0.00 0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 3kwm s ILE 142 Cb -0.07 -3.25 0.36 0.00 -1.58 0.00 0.00 42.46 37.92 3kwm s ILE 142 CO 0.01 -0.02 1.60 -0.65 -1.23 0.00 0.00 174.94 174.65 3kwm h PRO 143 N 9.51 0.08 -0.06 2.79 0.11 -1.91 0.21 132.00 142.73 3kwm h PRO 143 Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3kwm h PRO 143 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kwm h PRO 143 CO 0.94 0.05 0.07 1.98 -0.21 0.00 0.00 178.00 180.84 3kwm h MET 144 N 0.08 0.00 -0.40 1.05 1.85 -1.98 -2.51 114.93 113.02 3kwm h MET 144 Ca 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.66 3kwm h MET 144 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 3kwm h MET 144 CO -0.79 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 175.72 3kwm n ALA 145 N -2.31 2.42 -0.06 0.39 0.00 0.72 -4.68 120.51 116.99 3kwm n ALA 145 Ca -0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 3kwm n ALA 145 Cb 0.17 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 4.47 0.02 -0.27 0.00 2.43 -1.41 -0.57 114.38 119.05 3kwm h ARG 146 Ca 0.00 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3kwm h ARG 146 Cb 0.99 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3kwm h ARG 146 CO 0.00 0.02 -0.25 0.77 -1.51 0.00 0.00 179.97 179.00 3kwm h SER 147 N 0.02 0.69 -0.36 -3.80 0.02 -1.83 -1.54 113.55 106.75 3kwm h SER 147 Ca 0.11 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3kwm h SER 147 Cb 0.16 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3kwm h SER 147 CO -0.23 1.01 0.15 0.22 -1.14 0.00 0.00 176.83 176.85 3kwm h TYR 148 N 0.38 0.28 -0.55 3.45 3.20 -1.83 -2.30 116.97 119.60 3kwm h TYR 148 Ca 0.05 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3kwm h TYR 148 Cb 0.81 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3kwm h TYR 148 CO 0.07 0.13 0.19 0.82 -1.64 0.00 0.00 178.16 177.74 3kwm h ILE 149 N 0.32 1.23 -0.82 1.81 2.04 -1.03 -2.51 117.51 118.55 3kwm h ILE 149 Ca 0.16 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.36 3kwm h ILE 149 Cb 0.10 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 3kwm h ILE 149 CO -0.14 0.28 0.48 0.00 0.00 0.00 0.00 178.15 178.77 3kwm h ALA 150 N 1.05 1.17 -0.74 1.87 0.00 -1.11 -1.27 119.26 120.23 3kwm h ALA 150 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kwm h ALA 150 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3kwm h ALA 150 CO -0.01 0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.78 3kwm h ARG 151 N 0.81 1.03 -0.05 0.00 3.08 -1.14 -2.16 114.38 115.95 3kwm h ARG 151 Ca 0.39 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 3kwm h ARG 151 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kwm h ARG 151 CO -0.24 0.75 -0.40 1.96 -1.07 0.00 0.00 179.97 180.97 3kwm h GLN 152 N 1.02 0.12 -0.13 0.04 1.08 -0.92 -2.75 115.11 113.58 3kwm h GLN 152 Ca 0.26 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.22 3kwm h GLN 152 Cb 0.02 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3kwm h GLN 152 CO -0.04 0.51 -0.69 0.82 -0.95 0.00 0.00 178.83 178.47 3kwm h ILE 153 N 0.10 1.34 -0.73 2.54 2.04 -1.05 -2.55 117.51 119.20 3kwm h ILE 153 Ca 0.01 -2.01 0.06 0.00 1.00 0.00 0.00 64.86 63.92 3kwm h ILE 153 Cb 0.76 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 3kwm h ILE 153 CO 0.06 0.62 0.42 0.58 0.00 0.00 0.00 178.15 179.83 3kwm h VAL 154 N 0.38 1.00 0.00 1.67 2.07 -1.19 -1.16 116.25 119.02 3kwm h VAL 154 Ca -0.02 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3kwm h VAL 154 Cb 1.27 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kwm h VAL 154 CO 0.13 0.14 -0.17 0.11 0.02 0.00 0.00 177.57 177.80 3kwm h LYS 155 N 0.78 0.00 -0.00 1.57 1.57 -1.33 -1.63 116.57 117.53 3kwm h LYS 155 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3kwm h LYS 155 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kwm h LYS 155 CO -0.18 0.17 -0.05 1.28 -0.57 0.00 0.00 179.45 180.10 3kwm n LEU 156 N -4.01 0.14 0.00 2.94 4.77 -0.53 -4.93 117.00 115.39 3kwm n LEU 156 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3kwm n LEU 156 Cb 0.26 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kwm n LEU 156 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3kwm n GLY 157 N 1.33 0.52 3.95 -0.72 0.00 -0.61 -5.09 105.19 104.57 3kwm n GLY 157 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.96 1.64 -0.51 -0.02 0.00 -0.69 -4.74 107.32 102.04 3kwm s GLY 158 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 3kwm s GLY 158 CO 0.00 -0.76 0.31 1.20 0.00 0.00 0.00 173.10 173.85 3kwm s GLN 159 N -4.77 2.26 0.26 2.90 -0.21 0.33 -3.99 119.66 116.45 3kwm s GLN 159 Ca 0.53 -2.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.45 3kwm s GLN 159 Cb -0.10 -3.65 -0.09 0.00 1.00 0.00 0.00 33.01 30.17 3kwm s GLN 159 CO 0.40 -1.12 1.08 -1.25 -2.12 0.00 0.00 175.29 172.29 3kwm s PRO 160 N 0.57 4.66 -0.04 2.91 0.04 -1.26 -0.85 135.00 141.02 3kwm s PRO 160 Ca 0.12 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.94 3kwm s PRO 160 Cb -0.22 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.13 3kwm s PRO 160 CO -0.04 0.23 -0.07 0.08 0.04 0.00 0.00 177.00 177.24 3kwm s VAL 161 N -1.04 0.70 -0.11 -0.36 1.01 0.10 -4.97 120.40 115.74 3kwm s VAL 161 Ca 0.45 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3kwm s VAL 161 Cb -0.31 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3kwm s VAL 161 CO 0.39 0.25 1.00 -0.47 0.00 0.00 0.00 175.10 176.27 3kwm s TYR 162 N 0.66 3.51 -1.28 5.22 5.04 -1.26 -0.73 117.35 128.50 3kwm s TYR 162 Ca -0.10 1.58 -0.19 0.00 -2.44 0.00 0.00 57.07 55.92 3kwm s TYR 162 Cb -0.13 -3.18 0.04 0.00 0.35 0.00 0.00 41.96 39.04 3kwm s TYR 162 CO 0.01 -0.22 1.77 0.54 -1.34 0.00 0.00 175.55 176.31 3kwm n ARG 163 N 5.00 2.95 -1.67 4.97 1.74 -0.88 -4.96 116.66 123.82 3kwm n ARG 163 Ca 0.09 -3.15 -0.46 0.00 -0.77 0.00 0.00 57.85 53.56 3kwm n ARG 163 Cb 0.49 -3.53 -0.04 0.00 -1.02 0.00 0.00 32.46 28.36 3kwm n ARG 163 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kwm n GLU 164 N 8.36 2.06 -0.97 5.56 0.28 -1.26 -1.91 120.64 132.76 3kwm n GLU 164 Ca 0.48 0.74 0.00 0.00 -0.16 0.00 0.00 57.16 58.22 3kwm n GLU 164 Cb 0.46 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.87 3kwm n GLU 164 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3kwm n GLN 165 N 2.87 -0.44 -3.42 3.44 6.02 -1.26 -5.02 117.38 119.57 3kwm n GLN 165 Ca 0.15 0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.87 3kwm n GLN 165 Cb 0.29 -3.46 -0.06 0.00 1.02 0.00 0.00 30.24 28.03 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 -2.02 5.13 -0.05 5.09 2.01 -0.80 -5.08 115.64 119.90 3kwm s THR 166 Ca 0.00 0.86 0.02 0.00 0.31 0.00 0.00 61.69 62.88 3kwm s THR 166 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.77 3kwm s THR 166 CO 0.00 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.65 3kwm s ILE 167 N -0.11 0.90 0.78 1.82 -1.09 -1.26 -4.55 121.20 117.68 3kwm s ILE 167 Ca 0.24 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.19 3kwm s ILE 167 Cb -0.16 -0.85 0.06 0.00 -1.58 0.00 0.00 42.46 39.93 3kwm s ILE 167 CO 0.11 0.30 1.12 0.42 -1.23 0.00 0.00 174.94 175.66 3kwm s THR 168 N 0.69 2.88 -2.00 2.92 -4.23 0.16 -4.91 115.64 111.14 3kwm s THR 168 Ca -0.13 0.28 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 3kwm s THR 168 Cb -0.15 -3.18 0.26 0.00 1.34 0.00 0.00 72.50 70.77 3kwm s THR 168 CO 0.02 -0.37 1.12 -0.90 -0.54 0.00 0.00 174.62 173.95 3kwm n ASP 169 N -3.28 0.00 -0.98 3.99 3.85 -1.26 -1.47 116.55 117.40 3kwm n ASP 169 Ca 0.07 -1.12 0.11 0.00 -0.71 0.00 0.00 54.79 53.15 3kwm n ASP 169 Cb 0.58 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.48 3kwm n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3kwm n ASN 170 N -0.71 3.05 0.00 -1.12 3.02 -1.26 -4.97 115.26 113.27 3kwm n ASN 170 Ca 0.07 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 3kwm n ASN 170 Cb 0.03 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.33 0.43 3.82 7.41 0.00 -0.54 -5.06 105.19 112.58 3kwm n GLY 171 Ca 0.15 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.90 4.65 0.41 1.61 0.01 -1.26 -4.82 114.94 112.64 3kwm s ASN 172 Ca 0.00 -1.04 0.08 0.00 -0.71 0.00 0.00 52.86 51.19 3kwm s ASN 172 Cb 0.00 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 3kwm s ASN 172 CO 0.00 -0.71 0.28 0.68 -1.51 0.00 0.00 177.10 175.84 3kwm s VAL 173 N -2.61 2.57 -0.06 1.60 -7.23 -0.92 -0.67 120.40 113.09 3kwm s VAL 173 Ca 0.40 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.13 3kwm s VAL 173 Cb 0.00 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 3kwm s VAL 173 CO 0.23 -0.02 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.13 3kwm s ILE 174 N -2.52 1.97 -0.16 -0.62 -1.09 -1.26 -0.67 121.20 116.86 3kwm s ILE 174 Ca 0.44 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.81 3kwm s ILE 174 Cb -0.00 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.18 3kwm s ILE 174 CO 0.25 0.55 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.70 3kwm s LEU 175 N -0.13 3.08 -0.09 2.97 1.43 0.26 -2.07 118.68 124.13 3kwm s LEU 175 Ca -0.04 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3kwm s LEU 175 Cb -0.14 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3kwm s LEU 175 CO 0.04 0.14 0.33 -1.81 0.23 0.00 0.00 176.35 175.27 3kwm s ASP 176 N 0.55 6.60 -0.26 2.29 1.01 0.09 -0.17 116.67 126.79 3kwm s ASP 176 Ca -0.04 0.71 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 3kwm s ASP 176 Cb -0.15 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.60 3kwm s ASP 176 CO 0.03 0.24 0.00 -0.69 0.21 0.00 0.00 175.17 174.96 3kwm s VAL 177 N -0.40 3.45 0.37 -1.27 1.01 0.69 0.01 120.40 124.26 3kwm s VAL 177 Ca 0.20 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3kwm s VAL 177 Cb -0.14 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3kwm s VAL 177 CO 0.08 0.20 0.53 -0.31 0.00 0.00 0.00 175.10 175.60 3kwm s TYR 178 N 1.43 3.07 -1.51 5.22 2.02 -0.03 -1.18 117.35 126.37 3kwm s TYR 178 Ca 0.02 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.42 3kwm s TYR 178 Cb -0.16 -2.14 0.09 0.00 -0.40 0.00 0.00 41.96 39.35 3kwm s TYR 178 CO -0.01 -0.16 0.82 0.09 -1.57 0.00 0.00 175.55 174.71 3kwm n ASN 179 N -1.77 -4.45 -4.75 2.29 4.13 -1.26 -0.52 115.26 108.93 3kwm n ASN 179 Ca 0.02 -0.69 -0.36 0.00 1.68 0.00 0.00 54.58 55.22 3kwm n ASN 179 Cb 0.58 -3.59 -0.07 0.00 -1.54 0.00 0.00 39.78 35.16 3kwm n ASN 179 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kwm s LEU 180 N -7.07 4.27 -0.44 3.41 1.43 -1.26 -4.67 118.68 114.35 3kwm s LEU 180 Ca 0.60 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 3kwm s LEU 180 Cb -0.31 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.71 3kwm s LEU 180 CO 0.74 0.17 0.32 -0.75 0.23 0.00 0.00 176.35 177.07 3kwm s LYS 181 N 0.15 2.83 -1.16 1.70 2.47 -1.26 -4.39 119.74 120.08 3kwm s LYS 181 Ca 0.14 -1.34 -0.08 0.00 -1.56 0.00 0.00 55.97 53.14 3kwm s LYS 181 Cb -0.13 -3.96 0.25 0.00 -1.46 0.00 0.00 37.83 32.53 3kwm s LYS 181 CO 0.03 -0.95 1.49 -0.89 0.16 0.00 0.00 175.35 175.18 3kwm n ILE 182 N 5.08 4.78 0.35 5.43 5.41 -0.69 -4.76 119.36 134.96 3kwm n ILE 182 Ca -0.11 -5.27 0.12 0.00 1.00 0.00 0.00 62.75 58.49 3kwm n ILE 182 Cb 0.44 -2.32 0.26 0.00 -0.71 0.00 0.00 39.64 37.31 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 6.03 0.00 -3.27 4.38 3.04 -1.96 -3.36 116.42 121.29 3kwm h ASP 183 Ca 0.26 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 53.43 3kwm h ASP 183 Cb 0.71 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 38.59 3kwm h ASP 183 CO 1.32 0.00 -0.67 0.21 -2.04 0.00 0.00 179.24 178.06 3kwm s ASN 184 N -5.64 4.01 0.24 4.15 3.84 -1.26 -4.99 114.94 115.28 3kwm s ASN 184 Ca 0.08 -3.38 -0.07 0.00 0.21 0.00 0.00 52.86 49.70 3kwm s ASN 184 Cb 0.07 -1.35 0.23 0.00 -0.55 0.00 0.00 41.25 39.66 3kwm s ASN 184 CO 0.64 -0.15 1.91 -0.65 -2.79 0.00 0.00 177.10 176.05 3kwm h PRO 185 N 5.84 1.27 -0.43 0.43 0.11 -1.99 -2.36 132.00 134.88 3kwm h PRO 185 Ca 0.10 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.13 3kwm h PRO 185 Cb 0.83 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3kwm h PRO 185 CO 0.62 0.86 0.27 -0.07 -0.21 0.00 0.00 178.00 179.47 3kwm h LEU 186 N 1.30 0.45 -0.31 2.35 3.38 -1.94 0.22 115.31 120.77 3kwm h LEU 186 Ca 0.35 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 3kwm h LEU 186 Cb -0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kwm h LEU 186 CO -0.07 0.33 -0.03 0.50 0.09 0.00 0.00 178.44 179.26 3kwm h LYS 187 N 0.55 0.56 -0.18 1.13 3.64 -1.96 -2.45 116.57 117.86 3kwm h LYS 187 Ca 0.16 -0.19 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 3kwm h LYS 187 Cb -0.03 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3kwm h LYS 187 CO -0.05 0.72 -0.72 1.25 -2.27 0.00 0.00 179.45 178.38 3kwm h LEU 188 N 0.34 0.90 -0.77 5.20 5.85 -1.29 -1.43 115.31 124.10 3kwm h LEU 188 Ca 0.08 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3kwm h LEU 188 Cb 0.49 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3kwm h LEU 188 CO 0.02 1.35 0.47 -0.08 -0.34 0.00 0.00 178.44 179.86 3kwm h GLU 189 N 0.54 0.84 0.14 1.25 4.81 -1.00 -1.19 114.58 119.97 3kwm h GLU 189 Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3kwm h GLU 189 Cb 1.33 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3kwm h GLU 189 CO 0.15 0.56 -0.07 1.15 -0.73 0.00 0.00 179.01 180.06 3kwm h THR 190 N 0.87 0.91 -0.76 0.32 2.02 -1.29 -2.26 112.91 112.72 3kwm h THR 190 Ca 0.33 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.35 3kwm h THR 190 Cb 0.15 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 3kwm h THR 190 CO -0.16 0.05 0.44 -0.33 0.37 0.00 0.00 175.52 175.89 3kwm h GLU 191 N -0.30 0.77 -0.26 6.66 5.08 -1.06 -2.58 114.58 122.90 3kwm h GLU 191 Ca -0.02 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3kwm h GLU 191 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kwm h GLU 191 CO 0.03 0.51 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.19 3kwm h LEU 192 N 0.79 0.53 -2.31 1.33 3.38 -1.18 -2.34 115.31 115.51 3kwm h LEU 192 Ca 0.34 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kwm h LEU 192 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kwm h LEU 192 CO -0.19 0.80 -0.02 0.78 0.09 0.00 0.00 178.44 179.90 3kwm h ASN 193 N 0.45 0.00 1.48 -0.43 2.35 -1.01 -2.66 115.58 115.75 3kwm h ASN 193 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kwm h ASN 193 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3kwm h ASN 193 CO 0.06 0.02 -0.13 1.56 -1.65 0.00 0.00 177.43 177.29 3kwm h GLN 194 N 0.00 0.00 -6.15 0.81 1.08 -1.21 -3.45 115.11 106.18 3kwm h GLN 194 Ca -0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 3kwm h GLN 194 Cb 0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 3kwm h GLN 194 CO 0.00 0.00 0.91 0.42 -0.95 0.00 0.00 178.83 179.21 3kwm s ILE 195 N -3.14 4.26 0.11 2.54 1.01 -1.01 -4.96 121.20 120.01 3kwm s ILE 195 Ca 0.09 1.52 -0.32 0.00 0.00 0.00 0.00 60.65 61.93 3kwm s ILE 195 Cb 0.11 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 3kwm s ILE 195 CO 0.64 -0.13 1.77 0.41 0.00 0.00 0.00 174.94 177.62 3kwm n THR 196 N 5.38 0.27 0.00 2.92 -1.04 -1.26 -2.04 114.28 118.50 3kwm n THR 196 Ca 0.14 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3kwm n THR 196 Cb 0.45 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 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 4.03 2.76 3.69 3.41 0.00 -1.26 -4.81 105.19 113.01 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 -2.72 3.58 -0.16 1.61 1.01 -0.86 -0.87 120.40 121.98 3kwm s VAL 198 Ca 0.00 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 3kwm s VAL 198 Cb 0.00 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 3kwm s VAL 198 CO 0.00 0.01 0.13 0.58 0.00 0.00 0.00 175.10 175.82 3kwm h VAL 199 N 4.81 0.61 -2.88 2.92 2.07 -1.20 -3.48 116.25 119.10 3kwm h VAL 199 Ca -0.39 -1.64 -0.12 0.00 0.82 0.00 0.00 66.70 65.36 3kwm h VAL 199 Cb 1.19 1.34 -0.23 0.00 -1.52 0.00 0.00 31.29 32.07 3kwm h VAL 199 CO 0.90 0.21 -0.26 -0.89 0.02 0.00 0.00 177.57 177.54 3kwm s THR 200 N -2.19 0.02 0.18 2.57 2.01 -1.16 -5.03 115.64 112.05 3kwm s THR 200 Ca -0.19 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 61.72 3kwm s THR 200 Cb 0.02 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3kwm s THR 200 CO 0.40 -0.09 -0.00 0.54 -0.69 0.00 0.00 174.62 174.77 3kwm s ASN 201 N -0.40 4.74 0.00 3.53 2.20 -1.26 -1.13 114.94 122.62 3kwm s ASN 201 Ca -0.05 -0.43 0.13 0.00 -0.94 0.00 0.00 52.86 51.58 3kwm s ASN 201 Cb -0.03 -0.99 0.78 0.00 -2.00 0.00 0.00 41.25 39.01 3kwm s ASN 201 CO 0.02 0.08 1.51 0.61 -2.94 0.00 0.00 177.10 176.38 3kwm n GLY 202 N -0.21 -0.94 3.66 0.45 0.00 0.04 -4.74 105.19 103.46 3kwm n GLY 202 Ca -0.09 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.99 4.69 -0.77 -0.61 1.01 -1.26 -0.75 121.20 121.52 3kwm s ILE 203 Ca 0.20 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.84 3kwm s ILE 203 Cb 0.09 -4.31 0.20 0.00 0.01 0.00 0.00 42.46 38.45 3kwm s ILE 203 CO 0.16 -0.16 0.64 -0.36 0.00 0.00 0.00 174.94 175.21 3kwm s PHE 204 N 3.10 3.66 0.00 3.97 2.99 0.06 -4.80 117.98 126.96 3kwm s PHE 204 Ca 0.44 -2.69 0.00 0.00 0.00 0.00 0.00 56.93 54.68 3kwm s PHE 204 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 43.02 39.51 3kwm s PHE 204 CO 0.07 -0.84 0.00 0.00 -0.00 0.00 0.00 175.22 174.45 3kwm n ALA 205 N 3.15 2.40 -0.18 5.36 0.00 -1.26 -1.20 120.51 128.78 3kwm n ALA 205 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3kwm n ALA 205 Cb 0.39 0.28 0.26 0.00 0.00 0.00 0.00 19.45 20.39 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 0.80 -7.41 0.00 3.38 -1.90 -3.18 115.31 107.01 3kwm h LEU 206 Ca 0.00 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.30 3kwm h LEU 206 Cb 0.56 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 40.71 3kwm h LEU 206 CO 0.00 0.60 -0.70 -0.75 0.09 0.00 0.00 178.44 177.68 3kwm s LYS 207 N -5.73 1.51 0.94 1.13 2.20 -1.26 -5.13 119.74 113.40 3kwm s LYS 207 Ca -0.10 -2.03 -0.15 0.00 -0.36 0.00 0.00 55.97 53.32 3kwm s LYS 207 Cb 0.17 -2.95 0.19 0.00 -1.51 0.00 0.00 37.83 33.73 3kwm s LYS 207 CO 0.78 -1.04 1.31 -1.25 -0.36 0.00 0.00 175.35 174.79 3kwm s PRO 208 N 0.52 0.80 0.38 4.03 0.04 -1.20 -4.86 135.00 134.72 3kwm s PRO 208 Ca 0.14 -0.35 -0.27 0.00 0.04 0.00 0.00 61.00 60.56 3kwm s PRO 208 Cb -0.22 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3kwm s PRO 208 CO -0.06 -2.31 1.33 0.00 0.04 0.00 0.00 177.00 175.99 3kwm s ALA 209 N -3.85 3.36 0.10 8.56 0.00 -0.87 -4.93 121.76 124.13 3kwm s ALA 209 Ca 0.73 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 3kwm s ALA 209 Cb -0.05 -3.51 -0.23 0.00 0.00 0.00 0.00 23.12 19.34 3kwm s ALA 209 CO 0.52 -0.82 1.20 -0.44 0.00 0.00 0.00 175.76 176.22 3kwm h ASP 210 N 2.90 0.38 -3.72 0.00 3.32 -1.65 -3.46 116.42 114.19 3kwm h ASP 210 Ca -0.50 -0.38 -0.22 0.00 0.02 0.00 0.00 57.03 55.96 3kwm h ASP 210 Cb 1.24 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.39 3kwm h ASP 210 CO 0.63 1.27 -0.62 -0.89 -1.72 0.00 0.00 179.24 177.91 3kwm s THR 211 N -2.79 -0.01 -0.18 0.35 2.01 -0.97 -5.03 115.64 109.03 3kwm s THR 211 Ca -0.04 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.00 3kwm s THR 211 Cb 0.08 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.47 3kwm s THR 211 CO 0.87 0.01 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.93 3kwm s VAL 212 N 0.22 2.02 -0.37 3.82 1.01 -0.50 -0.17 120.40 126.43 3kwm s VAL 212 Ca -0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 3kwm s VAL 212 Cb -0.02 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3kwm s VAL 212 CO -0.01 0.52 0.24 -0.63 0.00 0.00 0.00 175.10 175.22 3kwm s ILE 213 N 1.30 4.94 -0.18 2.22 1.01 0.63 0.16 121.20 131.28 3kwm s ILE 213 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 3kwm s ILE 213 Cb -0.13 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 3kwm s ILE 213 CO -0.13 -0.18 -0.05 -0.32 0.00 0.00 0.00 174.94 174.27 3kwm s MET 214 N 1.64 3.50 -0.22 2.79 1.75 -0.05 -1.74 119.30 126.96 3kwm s MET 214 Ca 0.04 -0.59 -0.22 0.00 -1.25 0.00 0.00 55.69 53.67 3kwm s MET 214 Cb -0.18 -2.93 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 3kwm s MET 214 CO 0.08 0.03 0.71 0.00 -0.65 0.00 0.00 175.02 175.19 3kwm s ALA 215 N 0.90 3.59 0.67 4.11 0.00 -0.44 -0.93 121.76 129.65 3kwm s ALA 215 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 3kwm s ALA 215 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.89 3kwm s ALA 215 CO 0.01 -0.75 1.02 0.95 0.00 0.00 0.00 175.76 176.99 3kwm s THR 216 N 2.38 3.27 -0.13 0.00 -4.23 -0.34 -0.50 115.64 116.09 3kwm s THR 216 Ca 0.31 0.16 0.20 0.00 -1.18 0.00 0.00 61.69 61.18 3kwm s THR 216 Cb -0.16 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.52 3kwm s THR 216 CO 0.09 -0.43 1.60 0.29 -0.54 0.00 0.00 174.62 175.63 3kwm n LYS 217 N -2.86 0.13 -0.38 3.99 4.01 -1.26 -1.18 118.16 120.61 3kwm n LYS 217 Ca 0.06 0.63 0.08 0.00 -0.51 0.00 0.00 58.31 58.57 3kwm n LYS 217 Cb 0.58 -2.00 0.25 0.00 -0.51 0.00 0.00 35.03 33.35 3kwm n LYS 217 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kwm n ASP 218 N -2.23 3.76 -1.92 4.39 10.43 -1.26 -4.97 116.55 124.76 3kwm n ASP 218 Ca -0.01 -2.38 -0.15 0.00 2.57 0.00 0.00 54.79 54.81 3kwm n ASP 218 Cb 0.10 -0.43 0.01 0.00 1.84 0.00 0.00 41.12 42.64 3kwm n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3kwm n SER 219 N 0.51 -4.66 -4.98 -2.24 7.64 -0.32 -5.04 113.62 104.53 3kwm n SER 219 Ca 0.19 -0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.78 3kwm n SER 219 Cb 0.69 -3.69 -0.01 0.00 -1.01 0.00 0.00 64.21 60.19 3kwm n SER 219 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kwm s ASN 220 N -2.51 6.13 -0.19 6.43 -0.87 -1.26 -4.90 114.94 117.77 3kwm s ASN 220 Ca 0.09 -0.05 -0.05 0.00 -1.57 0.00 0.00 52.86 51.28 3kwm s ASN 220 Cb -0.04 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 3kwm s ASN 220 CO 0.11 -0.28 0.01 -0.63 -2.57 0.00 0.00 177.10 173.74 3kwm s ILE 221 N -2.10 4.18 -0.09 0.60 -1.09 -1.26 -1.20 121.20 120.24 3kwm s ILE 221 Ca 0.40 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 3kwm s ILE 221 Cb -0.09 -2.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 3kwm s ILE 221 CO 0.31 0.44 -0.19 0.68 -1.23 0.00 0.00 174.94 174.94 3kwm s VAL 222 N 0.74 2.53 -0.26 2.92 -7.23 -0.11 -4.99 120.40 113.99 3kwm s VAL 222 Ca 0.01 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 3kwm s VAL 222 Cb -0.14 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3kwm s VAL 222 CO 0.02 0.56 0.03 -0.69 -0.31 0.00 0.00 175.10 174.71 3kwm s VAL 223 N 0.06 3.72 -2.72 1.32 1.01 -1.26 -0.87 120.40 121.66 3kwm s VAL 223 Ca -0.08 -0.62 0.26 0.00 0.00 0.00 0.00 61.98 61.54 3kwm s VAL 223 Cb -0.15 -2.84 0.39 0.00 0.00 0.00 0.00 36.38 33.78 3kwm s VAL 223 CO 0.05 0.21 1.53 0.18 0.00 0.00 0.00 175.10 177.08