#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmf h PRO -3 N 0.00 0.00 0.00 1.61 0.13 -2.06 -3.46 132.00 128.22 2kmf h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kmf h PRO -3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kmf h PRO -3 CO 0.00 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.08 2kmf n LEU -2 N -3.16 0.00 0.00 1.56 4.77 -1.26 -4.56 117.00 114.36 2kmf n LEU -2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kmf n LEU -2 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2kmf n LEU -2 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2kmf n GLY -1 N 0.00 0.52 3.83 -0.72 0.00 -1.26 -5.04 105.19 102.52 2kmf n GLY -1 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2kmf n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmf s SER 0 N -2.40 5.41 -0.36 1.61 1.04 -1.26 -4.99 113.70 112.74 2kmf s SER 0 Ca 0.00 1.54 -0.26 0.00 0.48 0.00 0.00 55.95 57.71 2kmf s SER 0 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.71 2kmf s SER 0 CO 0.00 -1.41 0.94 0.00 0.98 0.00 0.00 173.24 173.75 2kmf h ASP 2 N 8.44 0.72 -5.65 0.00 3.32 -2.04 -3.48 116.42 117.74 2kmf h ASP 2 Ca -0.23 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 2kmf h ASP 2 Cb 1.08 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.44 2kmf h ASP 2 CO 0.99 0.67 -0.75 -0.24 -1.72 0.00 0.00 179.24 178.19 2kmf n SER 3 N -4.55 -7.27 -0.85 6.45 2.88 -1.26 -4.78 113.62 104.24 2kmf n SER 3 Ca 0.03 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2kmf n SER 3 Cb 0.14 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.33 2kmf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kmf n GLY 4 N -0.13 -2.79 0.21 0.46 0.00 -1.26 -4.89 105.19 96.79 2kmf n GLY 4 Ca 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.44 2kmf n GLY 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kmf h THR 5 N 0.00 1.23 0.00 2.61 1.35 -1.92 -3.46 112.91 112.73 2kmf h THR 5 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2kmf h THR 5 Cb 0.00 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2kmf h THR 5 CO 0.00 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2kmf n GLY 6 N -0.59 0.56 3.77 5.82 0.00 -1.26 -4.87 105.19 108.62 2kmf n GLY 6 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2kmf n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmf s LEU 7 N 0.00 3.93 0.00 0.99 1.43 -1.26 -4.95 118.68 118.82 2kmf s LEU 7 Ca 0.00 2.23 0.11 0.00 -1.03 0.00 0.00 54.13 55.44 2kmf s LEU 7 Cb 0.00 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 2kmf s LEU 7 CO 0.00 -0.97 0.60 0.35 0.23 0.00 0.00 176.35 176.56 2kmf n THR 8 N -0.73 0.00 0.00 5.49 -2.24 -1.26 -4.98 114.28 110.56 2kmf n THR 8 Ca 0.09 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2kmf n THR 8 Cb 0.49 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2kmf n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmf n GLY 9 N 1.08 0.16 3.53 3.38 0.00 -1.26 -5.05 105.19 107.04 2kmf n GLY 9 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2kmf n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmf s ASN 10 N -2.05 6.38 0.60 1.61 6.03 -1.26 -4.90 114.94 121.35 2kmf s ASN 10 Ca 0.00 -0.18 0.29 0.00 -1.03 0.00 0.00 52.86 51.93 2kmf s ASN 10 Cb 0.00 -2.37 1.41 0.00 -3.03 0.00 0.00 41.25 37.26 2kmf s ASN 10 CO 0.00 -0.88 1.82 0.22 -2.03 0.00 0.00 177.10 176.22 2kmf h TYR 11 N 8.96 0.00 0.55 1.54 3.20 -1.97 0.43 116.97 129.68 2kmf h TYR 11 Ca -0.25 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 2kmf h TYR 11 Cb 1.09 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.36 2kmf h TYR 11 CO 0.78 0.00 -0.27 1.03 -1.64 0.00 0.00 178.16 178.06 2kmf h SER 12 N 0.00 -0.63 0.74 -2.11 0.87 -1.97 -3.09 113.55 107.36 2kmf h SER 12 Ca 0.24 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.63 2kmf h SER 12 Cb 1.39 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2kmf h SER 12 CO -0.00 -0.22 -0.86 -0.61 -0.53 0.00 0.00 176.83 174.60 2kmf h GLN 13 N -1.19 0.08 -0.81 2.24 4.15 -1.83 -3.28 115.11 114.47 2kmf h GLN 13 Ca -0.08 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.30 2kmf h GLN 13 Cb 0.58 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 2kmf h GLN 13 CO 0.13 0.89 0.51 -0.44 -1.93 0.00 0.00 178.83 177.98 2kmf h ASP 14 N 0.04 0.82 -0.40 -0.69 3.32 -0.29 0.36 116.42 119.59 2kmf h ASP 14 Ca -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kmf h ASP 14 Cb 1.50 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 2kmf h ASP 14 CO 0.12 0.55 0.25 0.74 -1.72 0.00 0.00 179.24 179.18 2kmf h THR 15 N 0.96 1.12 -0.47 0.35 2.02 -1.59 -1.56 112.91 113.74 2kmf h THR 15 Ca 0.33 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 2kmf h THR 15 Cb 0.07 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2kmf h THR 15 CO -0.14 0.12 -0.09 0.25 0.37 0.00 0.00 175.52 176.04 2kmf h LEU 16 N 0.53 0.82 0.10 2.58 6.46 -1.45 -1.58 115.31 122.76 2kmf h LEU 16 Ca 0.14 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2kmf h LEU 16 Cb -0.02 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.69 2kmf h LEU 16 CO -0.03 0.93 -0.05 0.74 -0.62 0.00 0.00 178.44 179.42 2kmf h THR 17 N 0.75 0.91 -0.57 1.05 2.02 0.21 0.38 112.91 117.66 2kmf h THR 17 Ca 0.13 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 2kmf h THR 17 Cb 0.58 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2kmf h THR 17 CO 0.04 0.00 -0.01 1.62 0.37 0.00 0.00 175.52 177.54 2kmf h VAL 18 N -0.14 1.27 -0.22 3.16 3.04 -1.27 -1.94 116.25 120.14 2kmf h VAL 18 Ca -0.01 -1.15 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 2kmf h VAL 18 Cb 0.11 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2kmf h VAL 18 CO 0.02 0.41 0.11 0.40 -1.01 0.00 0.00 177.57 177.50 2kmf h ILE 19 N 0.91 1.13 -0.98 3.17 2.04 -1.07 0.28 117.51 122.98 2kmf h ILE 19 Ca 0.16 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2kmf h ILE 19 Cb 0.56 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2kmf h ILE 19 CO 0.03 0.13 0.65 0.00 0.00 0.00 0.00 178.15 178.96 2kmf h ALA 20 N 0.97 1.29 -0.24 1.87 0.00 -0.13 0.31 119.26 123.34 2kmf h ALA 20 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kmf h ALA 20 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2kmf h ALA 20 CO -0.01 0.56 -0.17 1.15 0.00 0.00 0.00 179.25 180.78 2kmf h THR 21 N 1.27 1.31 -0.42 0.00 2.02 -0.98 -2.74 112.91 113.37 2kmf h THR 21 Ca 0.38 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 2kmf h THR 21 Cb -0.04 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2kmf h THR 21 CO -0.11 0.40 0.06 -0.07 0.37 0.00 0.00 175.52 176.17 2kmf h LEU 22 N 0.25 0.67 -0.12 2.58 3.38 0.07 0.22 115.31 122.36 2kmf h LEU 22 Ca 0.05 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kmf h LEU 22 Cb 0.70 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kmf h LEU 22 CO 0.05 0.77 0.03 0.03 0.09 0.00 0.00 178.44 179.40 2kmf h ARG 23 N 0.55 0.08 -0.25 1.13 3.08 -0.41 -1.05 114.38 117.52 2kmf h ARG 23 Ca 0.13 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 2kmf h ARG 23 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2kmf h ARG 23 CO 0.01 0.05 -0.41 1.05 -1.07 0.00 0.00 179.97 179.60 2kmf h GLU 24 N 0.09 0.59 -0.01 0.04 4.11 -1.47 -1.45 114.58 116.47 2kmf h GLU 24 Ca 0.05 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 2kmf h GLU 24 Cb 0.04 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kmf h GLU 24 CO -0.06 0.89 0.01 0.00 0.07 0.00 0.00 179.01 179.92 2kmf h ALA 25 N 1.07 0.02 0.00 1.06 0.00 -0.60 -1.21 119.26 119.59 2kmf h ALA 25 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kmf h ALA 25 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kmf h ALA 25 CO 0.08 -0.47 0.00 -0.84 0.00 0.00 0.00 179.25 178.02 2kmf h ILE 26 N -0.02 0.00 -0.54 0.00 3.07 -1.22 -3.00 117.51 115.80 2kmf h ILE 26 Ca 0.00 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2kmf h ILE 26 Cb 0.04 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 2kmf h ILE 26 CO -0.00 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.43 2kmf n ASP 27 N -2.58 2.98 -4.84 2.16 2.03 -0.55 -4.84 116.55 110.91 2kmf n ASP 27 Ca 0.04 -1.99 -0.32 0.00 0.52 0.00 0.00 54.79 53.04 2kmf n ASP 27 Cb 0.43 -0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2kmf n ASP 27 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2kmf s LEU 28 N -1.04 3.79 0.52 -2.67 2.34 -0.50 -4.98 118.68 116.14 2kmf s LEU 28 Ca 0.37 1.50 -0.19 0.00 0.06 0.00 0.00 54.13 55.87 2kmf s LEU 28 Cb 0.20 -4.39 -0.07 0.00 -0.56 0.00 0.00 46.19 41.36 2kmf s LEU 28 CO 0.26 -0.46 1.06 -2.16 -1.06 0.00 0.00 176.35 173.99 2kmf s PRO 29 N -3.68 3.62 0.61 1.48 0.04 -1.26 -4.92 135.00 130.88 2kmf s PRO 29 Ca 0.58 1.38 0.37 0.00 0.04 0.00 0.00 61.00 63.36 2kmf s PRO 29 Cb -0.10 -2.07 1.96 0.00 0.04 0.00 0.00 34.50 34.33 2kmf s PRO 29 CO 0.25 -0.58 2.23 -0.56 0.04 0.00 0.00 177.00 178.38 2kmf h GLN 30 N 1.27 0.00 -0.04 4.56 -0.00 -1.99 0.06 115.11 118.97 2kmf h GLN 30 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2kmf h GLN 30 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2kmf h GLN 30 CO 0.58 0.03 0.00 -0.40 -0.00 0.00 0.00 178.83 179.04 2kmf n ASP 31 N -3.33 0.91 -4.69 0.06 5.68 -1.26 -4.89 116.55 109.03 2kmf n ASP 31 Ca -0.02 -1.41 -0.42 0.00 -0.50 0.00 0.00 54.79 52.44 2kmf n ASP 31 Cb 0.14 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kmf s ALA 32 N -1.95 3.73 -0.23 2.12 0.00 0.01 -4.87 121.76 120.56 2kmf s ALA 32 Ca 0.38 1.43 0.28 0.00 0.00 0.00 0.00 51.96 54.05 2kmf s ALA 32 Cb 0.19 -3.78 1.01 0.00 0.00 0.00 0.00 23.12 20.54 2kmf s ALA 32 CO 0.31 -1.29 1.83 -1.00 0.00 0.00 0.00 175.76 175.60 2kmf h PRO 33 N 8.97 0.00 -0.61 0.00 0.13 -1.90 -2.89 132.00 135.71 2kmf h PRO 33 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2kmf h PRO 33 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kmf h PRO 33 CO 0.95 0.00 0.02 0.27 -0.23 0.00 0.00 178.00 179.01 2kmf n ASN 34 N -2.81 5.53 -0.21 1.44 6.94 -1.26 -4.45 115.26 120.43 2kmf n ASN 34 Ca 0.02 -2.92 -0.08 0.00 -0.02 0.00 0.00 54.58 51.58 2kmf n ASN 34 Cb 0.35 -0.69 0.02 0.00 -2.36 0.00 0.00 39.78 37.11 2kmf n ASN 34 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2kmf h ARG 35 N 3.77 0.96 -0.15 -3.83 2.43 -1.87 0.42 114.38 116.11 2kmf h ARG 35 Ca 0.02 -0.25 -0.21 0.00 -0.81 0.00 0.00 59.98 58.73 2kmf h ARG 35 Cb 1.96 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2kmf h ARG 35 CO 0.49 0.90 -0.73 0.37 -1.51 0.00 0.00 179.97 179.50 2kmf h GLN 36 N 0.87 0.76 -0.17 0.20 5.75 -1.85 -3.02 115.11 117.65 2kmf h GLN 36 Ca 0.18 -0.62 -0.09 0.00 -0.15 0.00 0.00 58.65 57.98 2kmf h GLN 36 Cb 0.40 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 2kmf h GLN 36 CO 0.01 1.23 -0.24 1.49 -2.65 0.00 0.00 178.83 178.67 2kmf h GLU 37 N 0.48 0.46 -0.26 1.69 4.81 -1.81 -3.19 114.58 116.76 2kmf h GLU 37 Ca -0.05 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2kmf h GLU 37 Cb 1.37 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2kmf h GLU 37 CO 0.15 0.86 0.07 -0.24 -0.73 0.00 0.00 179.01 179.11 2kmf h VAL 38 N 0.09 1.12 -0.49 0.32 3.04 -0.27 -2.33 116.25 117.74 2kmf h VAL 38 Ca 0.02 -0.43 0.05 0.00 -1.01 0.00 0.00 66.70 65.33 2kmf h VAL 38 Cb 0.81 0.86 -0.05 0.00 -2.01 0.00 0.00 31.29 30.90 2kmf h VAL 38 CO 0.06 0.15 0.21 1.56 -1.01 0.00 0.00 177.57 178.54 2kmf h GLN 39 N 0.36 0.41 -0.42 4.17 4.20 -1.51 -0.53 115.11 121.79 2kmf h GLN 39 Ca 0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2kmf h GLN 39 Cb 0.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2kmf h GLN 39 CO -0.00 0.27 0.05 0.22 -0.67 0.00 0.00 178.83 178.70 2kmf h ASP 40 N 0.42 0.60 -0.04 1.46 1.82 -1.48 0.61 116.42 119.81 2kmf h ASP 40 Ca 0.22 -0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2kmf h ASP 40 Cb 0.19 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2kmf h ASP 40 CO -0.19 0.64 0.02 0.74 -1.61 0.00 0.00 179.24 178.84 2kmf h THR 41 N 0.62 1.04 -0.44 2.25 2.02 -0.85 -0.96 112.91 116.59 2kmf h THR 41 Ca 0.14 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 67.06 2kmf h THR 41 Cb 0.31 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2kmf h THR 41 CO 0.01 0.04 -0.24 0.00 0.37 0.00 0.00 175.52 175.69 2kmf h ALA 42 N 0.97 0.73 -0.69 6.16 0.00 -1.00 -2.49 119.26 122.94 2kmf h ALA 42 Ca 0.01 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2kmf h ALA 42 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2kmf h ALA 42 CO -0.00 0.66 0.33 -0.09 0.00 0.00 0.00 179.25 180.15 2kmf h ARG 43 N 0.79 0.54 -0.64 0.00 2.43 -0.60 0.15 114.38 117.05 2kmf h ARG 43 Ca 0.10 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2kmf h ARG 43 Cb 0.81 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2kmf h ARG 43 CO 0.07 0.36 0.08 0.78 -1.51 0.00 0.00 179.97 179.74 2kmf h GLY 44 N 0.56 1.16 1.01 2.80 0.00 -1.01 -2.46 103.07 105.13 2kmf h GLY 44 Ca 0.35 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2kmf h GLY 44 CO -0.28 0.74 0.32 1.46 0.00 0.00 0.00 176.54 178.78 2kmf h GLN 45 N 0.99 1.00 0.50 4.80 1.08 -0.65 0.26 115.11 123.10 2kmf h GLN 45 Ca 0.19 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2kmf h GLN 45 Cb 0.47 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2kmf h GLN 45 CO 0.02 0.80 -0.24 0.82 -0.95 0.00 0.00 178.83 179.27 2kmf h ILE 46 N 0.96 0.50 -0.49 2.54 2.04 -0.58 0.25 117.51 122.72 2kmf h ILE 46 Ca 0.24 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2kmf h ILE 46 Cb 0.13 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2kmf h ILE 46 CO -0.03 0.02 0.04 0.78 0.00 0.00 0.00 178.15 178.96 2kmf h ASN 47 N -0.74 0.82 -0.36 1.72 2.35 -1.40 -2.84 115.58 115.13 2kmf h ASN 47 Ca -0.07 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 2kmf h ASN 47 Cb 0.55 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2kmf h ASN 47 CO 0.11 0.90 0.03 -0.78 -1.65 0.00 0.00 177.43 176.04 2kmf h ASP 48 N 0.71 0.67 0.77 5.81 1.82 -0.43 0.79 116.42 126.57 2kmf h ASP 48 Ca 0.14 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2kmf h ASP 48 Cb 0.46 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.30 2kmf h ASP 48 CO 0.02 0.72 -0.37 0.22 -1.61 0.00 0.00 179.24 178.22 2kmf h TYR 49 N 0.67 -0.96 0.00 0.28 3.20 -0.31 -2.11 116.97 117.75 2kmf h TYR 49 Ca 0.14 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 2kmf h TYR 49 Cb 0.38 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2kmf h TYR 49 CO 0.02 -0.60 -0.43 -0.84 -1.64 0.00 0.00 178.16 174.67 2kmf h ILE 50 N -1.13 1.22 0.12 1.81 3.07 -1.54 -2.27 117.51 118.78 2kmf h ILE 50 Ca -0.11 -1.52 -0.01 0.00 1.55 0.00 0.00 64.86 64.78 2kmf h ILE 50 Cb 0.79 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2kmf h ILE 50 CO 0.17 0.42 -0.06 -1.28 -1.05 0.00 0.00 178.15 176.36 2kmf h SER 51 N 0.00 -0.13 -0.14 2.16 0.87 -0.81 0.88 113.55 116.37 2kmf h SER 51 Ca -0.00 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.26 2kmf h SER 51 Cb 0.80 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2kmf h SER 51 CO 0.06 0.03 -0.59 0.08 -0.53 0.00 0.00 176.83 175.88 2kmf h ARG 52 N -0.29 0.75 -0.62 2.24 0.11 -1.39 -2.99 114.38 112.18 2kmf h ARG 52 Ca -0.02 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2kmf h ARG 52 Cb 0.24 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2kmf h ARG 52 CO 0.03 1.12 0.00 0.66 0.10 0.00 0.00 179.97 181.88 2kmf n TYR 53 N -3.97 1.07 -0.17 4.08 4.01 -0.86 -4.35 117.16 116.98 2kmf n TYR 53 Ca -0.04 -0.42 -0.07 0.00 -0.16 0.00 0.00 57.90 57.21 2kmf n TYR 53 Cb 0.64 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 39.49 2kmf n TYR 53 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2kmf h ARG 54 N 2.80 0.66 -0.07 -0.72 9.65 0.95 -1.55 114.38 126.11 2kmf h ARG 54 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2kmf h ARG 54 Cb 1.12 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2kmf h ARG 54 CO 0.18 0.46 0.00 0.54 2.80 0.00 0.00 179.97 183.95 2kmf n ARG 55 N -4.72 1.43 -0.11 0.20 1.74 -1.26 -2.93 116.66 111.01 2kmf n ARG 55 Ca 0.02 -0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 56.38 2kmf n ARG 55 Cb 0.03 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2kmf n ARG 55 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2kmf h LYS 56 N 1.40 0.44 0.00 5.56 3.64 -1.54 -3.42 116.57 122.65 2kmf h LYS 56 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2kmf h LYS 56 Cb 0.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kmf h LYS 56 CO 0.00 0.29 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 2kmf n GLY 57 N -1.20 0.49 2.30 5.01 0.00 -1.26 -4.98 105.19 105.55 2kmf n GLY 57 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2kmf n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kmf n ASP 58 N 0.00 -4.24 -0.43 1.61 -0.08 -1.15 -4.56 116.55 107.70 2kmf n ASP 58 Ca 0.00 0.23 0.05 0.00 -1.51 0.00 0.00 54.79 53.57 2kmf n ASP 58 Cb 0.04 -3.70 -0.02 0.00 2.34 0.00 0.00 41.12 39.77 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmf n ALA 59 N -0.94 -1.13 -0.11 -1.67 0.00 -1.26 -4.97 120.51 110.44 2kmf n ALA 59 Ca -0.16 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kmf n ALA 59 Cb 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2kmf n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmf n GLY 60 N -2.98 0.53 0.18 0.00 0.00 -1.26 -4.83 105.19 96.82 2kmf n GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kmf n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmf n GLY 61 N -2.00 0.00 3.46 -0.02 0.00 -1.26 -5.05 105.19 100.31 2kmf n GLY 61 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kmf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmf s LEU 62 N -3.92 3.29 0.16 0.99 1.02 -1.26 -4.98 118.68 113.98 2kmf s LEU 62 Ca 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 54.13 53.84 2kmf s LEU 62 Cb 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 46.19 44.42 2kmf s LEU 62 CO 0.00 0.07 1.67 0.11 0.02 0.00 0.00 176.35 178.21 2kmf h LYS 63 N 7.47 0.87 -0.20 1.70 1.57 -1.97 -0.57 116.57 125.45 2kmf h LYS 63 Ca -0.36 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2kmf h LYS 63 Cb 1.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2kmf h LYS 63 CO 0.61 0.83 0.11 1.03 -0.57 0.00 0.00 179.45 181.45 2kmf h SER 64 N 0.77 0.25 -0.20 0.86 0.87 -1.88 0.42 113.55 114.63 2kmf h SER 64 Ca 0.17 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2kmf h SER 64 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2kmf h SER 64 CO 0.00 0.27 0.07 0.15 -0.53 0.00 0.00 176.83 176.78 2kmf h PHE 65 N 0.21 0.33 -0.24 2.24 3.57 -1.93 0.36 116.94 121.47 2kmf h PHE 65 Ca 0.07 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kmf h PHE 65 Cb 0.08 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2kmf h PHE 65 CO -0.04 0.40 0.07 1.15 -2.23 0.00 0.00 178.31 177.66 2kmf h THR 66 N 0.16 1.20 -0.34 4.41 2.02 -1.01 0.26 112.91 119.61 2kmf h THR 66 Ca 0.07 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2kmf h THR 66 Cb 0.23 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2kmf h THR 66 CO -0.00 0.21 0.15 0.74 0.37 0.00 0.00 175.52 176.99 2kmf h THR 67 N 0.22 1.18 -0.49 3.16 2.02 -0.09 -2.91 112.91 116.00 2kmf h THR 67 Ca 0.08 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 2kmf h THR 67 Cb 0.26 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2kmf h THR 67 CO -0.00 0.19 0.12 0.24 0.37 0.00 0.00 175.52 176.43 2kmf h MET 68 N 0.41 0.79 -0.34 6.66 2.07 -0.17 -1.21 114.93 123.13 2kmf h MET 68 Ca 0.12 -0.19 0.06 0.00 -2.07 0.00 0.00 59.70 57.61 2kmf h MET 68 Cb 0.16 -0.10 -0.08 0.00 -1.87 0.00 0.00 31.60 29.70 2kmf h MET 68 CO -0.01 0.77 -0.47 0.37 1.07 0.00 0.00 176.91 178.64 2kmf h GLN 69 N 0.67 -0.38 -0.25 1.72 4.15 -0.28 0.59 115.11 121.34 2kmf h GLN 69 Ca 0.15 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2kmf h GLN 69 Cb 0.34 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2kmf h GLN 69 CO 0.00 -0.25 0.00 1.15 -1.93 0.00 0.00 178.83 177.81 2kmf h THR 70 N -0.39 1.25 0.27 2.39 2.02 -1.49 -1.18 112.91 115.78 2kmf h THR 70 Ca 0.11 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2kmf h THR 70 Cb 0.60 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2kmf h THR 70 CO -0.54 0.28 -0.13 0.00 0.37 0.00 0.00 175.52 175.50 2kmf h ALA 71 N 0.82 -0.36 -0.70 6.16 0.00 -0.60 0.29 119.26 124.86 2kmf h ALA 71 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kmf h ALA 71 Cb 0.41 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kmf h ALA 71 CO 0.01 -0.70 0.30 -0.07 0.00 0.00 0.00 179.25 178.79 2kmf h LEU 72 N -0.37 0.94 -0.93 0.00 4.07 0.12 -2.10 115.31 117.03 2kmf h LEU 72 Ca -0.04 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 2kmf h LEU 72 Cb 0.28 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 2kmf h LEU 72 CO 0.06 0.83 0.17 0.78 -1.08 0.00 0.00 178.44 179.20 2kmf h ASN 73 N 0.98 0.89 0.56 -0.43 2.35 -1.01 0.13 115.58 119.04 2kmf h ASN 73 Ca 0.24 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2kmf h ASN 73 Cb 0.17 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2kmf h ASN 73 CO -0.02 0.85 -0.27 0.28 -1.65 0.00 0.00 177.43 176.62 2kmf h SER 74 N 0.91 -0.64 0.92 5.81 0.02 0.02 -2.97 113.55 117.62 2kmf h SER 74 Ca 0.20 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2kmf h SER 74 Cb 0.30 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kmf h SER 74 CO -0.00 -0.38 -0.16 0.17 -1.14 0.00 0.00 176.83 175.32 2kmf h LEU 75 N -0.87 0.00 -1.07 5.07 8.10 -1.36 -2.97 115.31 122.21 2kmf h LEU 75 Ca -0.08 0.00 0.07 0.00 0.11 0.00 0.00 57.88 57.98 2kmf h LEU 75 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.78 2kmf h LEU 75 CO 0.13 0.16 0.62 0.00 -4.11 0.00 0.00 178.44 175.24 2kmf h ALA 76 N 1.84 1.45 -0.00 0.17 0.00 -0.58 -0.83 119.26 121.31 2kmf h ALA 76 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2kmf h ALA 76 Cb 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kmf h ALA 76 CO 0.02 0.40 -0.66 0.78 0.00 0.00 0.00 179.25 179.79 2kmf h GLY 77 N 1.11 0.01 1.01 0.00 0.00 -1.45 -3.17 103.07 100.58 2kmf h GLY 77 Ca 0.41 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.75 2kmf h GLY 77 CO -0.16 0.01 0.63 -0.97 0.00 0.00 0.00 176.54 176.05 2kmf h TYR 78 N 0.01 1.18 -0.85 5.60 -1.99 -1.19 1.06 116.97 120.78 2kmf h TYR 78 Ca -0.01 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.77 2kmf h TYR 78 Cb 1.17 -0.40 -0.04 0.00 2.00 0.00 0.00 36.73 39.46 2kmf h TYR 78 CO 0.00 0.72 0.56 1.88 -0.00 0.00 0.00 178.16 181.33 2kmf h TYR 79 N 1.26 1.07 0.00 4.88 0.05 -1.47 -2.19 116.97 120.56 2kmf h TYR 79 Ca 0.36 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.17 2kmf h TYR 79 Cb -0.09 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.29 2kmf h TYR 79 CO -0.00 0.66 -0.72 0.25 -1.05 0.00 0.00 178.16 177.29 2kmf n THR 80 N -4.50 0.28 0.01 -2.88 -2.24 -0.80 -1.63 114.28 102.51 2kmf n THR 80 Ca 0.09 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2kmf n THR 80 Cb 0.03 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.18 2kmf n THR 80 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2kmf h SER 81 N 0.00 0.07 0.00 3.42 4.64 0.18 -3.34 113.55 118.52 2kmf h SER 81 Ca 0.00 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2kmf h SER 81 Cb 0.73 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2kmf h SER 81 CO 0.00 0.14 -1.56 -1.22 -0.87 0.00 0.00 176.83 173.32 2kmf n TYR 82 N -5.00 0.00 -1.66 4.77 4.01 -1.16 -5.07 117.16 113.04 2kmf n TYR 82 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2kmf n TYR 82 Cb 0.07 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 2kmf n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kmf n GLY 83 N 2.06 -4.92 4.99 2.72 0.00 -0.65 -4.40 105.19 104.99 2kmf n GLY 83 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2kmf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmf n ALA 84 N 0.96 0.00 -1.73 4.61 0.00 -1.26 -4.91 120.51 118.18 2kmf n ALA 84 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kmf n ALA 84 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kmf n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kmf n ARG 85 N 0.00 2.32 -1.51 0.00 3.00 -1.26 -4.75 116.66 114.46 2kmf n ARG 85 Ca 0.00 0.81 -0.31 0.00 -0.01 0.00 0.00 57.85 58.35 2kmf n ARG 85 Cb 0.00 -2.46 0.07 0.00 0.00 0.00 0.00 32.46 30.08 2kmf n ARG 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kmf s PRO 86 N -1.98 2.47 0.23 5.56 0.04 -1.26 -4.90 135.00 135.16 2kmf s PRO 86 Ca 0.55 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2kmf s PRO 86 Cb -0.53 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 2kmf s PRO 86 CO 0.63 -1.40 1.26 0.42 0.04 0.00 0.00 177.00 177.95 2kmf s ILE 87 N -3.07 3.21 0.56 0.56 1.01 -1.26 -4.97 121.20 117.25 2kmf s ILE 87 Ca 0.60 1.06 -0.18 0.00 0.00 0.00 0.00 60.65 62.13 2kmf s ILE 87 Cb -0.15 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 2kmf s ILE 87 CO 0.55 0.19 0.39 -2.65 0.00 0.00 0.00 174.94 173.42 2kmf n PRO 88 N 2.09 0.40 0.01 2.79 -0.02 -1.26 -4.76 135.00 134.26 2kmf n PRO 88 Ca 0.04 0.16 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 2kmf n PRO 88 Cb 0.43 -1.56 0.23 0.00 -0.02 0.00 0.00 33.50 32.59 2kmf n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kmf h GLU 89 N 0.18 0.49 -0.23 -0.52 3.07 -1.96 -1.87 114.58 113.74 2kmf h GLU 89 Ca -0.45 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.25 2kmf h GLU 89 Cb 1.41 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 2kmf h GLU 89 CO 0.46 0.65 0.12 0.87 -1.40 0.00 0.00 179.01 179.70 2kmf h LYS 90 N 0.45 0.33 -0.53 2.33 1.57 -2.02 -2.62 116.57 116.09 2kmf h LYS 90 Ca 0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2kmf h LYS 90 Cb 0.56 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2kmf h LYS 90 CO 0.04 0.32 0.01 1.25 -0.57 0.00 0.00 179.45 180.50 2kmf h LEU 91 N 0.25 0.90 -0.97 2.94 5.85 -1.88 -2.84 115.31 119.56 2kmf h LEU 91 Ca 0.08 -0.30 0.22 0.00 0.84 0.00 0.00 57.88 58.72 2kmf h LEU 91 Cb 0.10 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 40.76 2kmf h LEU 91 CO -0.01 0.99 0.55 0.50 -0.34 0.00 0.00 178.44 180.12 2kmf h LYS 92 N 0.80 0.56 -0.41 1.25 3.64 -1.11 0.85 116.57 122.15 2kmf h LYS 92 Ca 0.15 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2kmf h LYS 92 Cb 0.52 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2kmf h LYS 92 CO 0.03 0.37 0.22 0.87 -2.27 0.00 0.00 179.45 178.66 2kmf h LYS 93 N 0.58 0.43 -0.49 1.90 1.57 -1.22 0.23 116.57 119.57 2kmf h LYS 93 Ca 0.60 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.27 2kmf h LYS 93 Cb 1.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2kmf h LYS 93 CO -0.46 0.28 -0.05 0.00 -0.57 0.00 0.00 179.45 178.65 2kmf h ARG 94 N 0.44 0.89 -0.73 3.15 3.08 -0.98 -3.01 114.38 117.23 2kmf h ARG 94 Ca 0.17 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2kmf h ARG 94 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2kmf h ARG 94 CO -0.10 0.96 0.30 -0.07 -1.07 0.00 0.00 179.97 179.99 2kmf h LEU 95 N 0.75 1.00 -0.60 3.04 3.38 -0.56 -1.86 115.31 120.45 2kmf h LEU 95 Ca 0.13 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2kmf h LEU 95 Cb 0.59 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2kmf h LEU 95 CO 0.04 0.89 0.25 1.56 0.09 0.00 0.00 178.44 181.26 2kmf h GLN 96 N 1.04 0.44 -0.42 1.13 1.08 -0.46 -1.56 115.11 116.36 2kmf h GLN 96 Ca 0.24 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 2kmf h GLN 96 Cb 0.19 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2kmf h GLN 96 CO -0.02 0.29 0.04 -0.07 -0.95 0.00 0.00 178.83 178.11 2kmf h LEU 97 N 0.45 0.69 -0.82 1.46 3.38 -1.36 -2.33 115.31 116.78 2kmf h LEU 97 Ca 0.29 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2kmf h LEU 97 Cb 0.32 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2kmf h LEU 97 CO -0.27 0.80 0.43 -0.33 0.09 0.00 0.00 178.44 179.16 2kmf h GLU 98 N 0.55 0.65 -0.24 1.13 5.08 -0.50 -0.04 114.58 121.21 2kmf h GLU 98 Ca 0.12 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2kmf h GLU 98 Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 98 CO 0.01 0.43 -0.40 0.74 -1.00 0.00 0.00 179.01 178.80 2kmf h PHE 99 N 0.67 0.67 -0.67 4.33 0.04 -1.17 -2.36 116.94 118.45 2kmf h PHE 99 Ca 0.42 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 61.03 2kmf h PHE 99 Cb 0.51 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 2kmf h PHE 99 CO -0.09 0.88 0.42 1.15 -0.60 0.00 0.00 178.31 180.07 2kmf h THR 100 N 0.47 1.10 -0.15 -1.55 2.02 -0.48 0.19 112.91 114.51 2kmf h THR 100 Ca 0.04 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 2kmf h THR 100 Cb 0.89 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2kmf h THR 100 CO 0.08 0.15 -0.36 1.56 0.37 0.00 0.00 175.52 177.32 2kmf h GLN 101 N 0.83 0.32 0.08 6.66 7.50 -1.19 -2.22 115.11 127.09 2kmf h GLN 101 Ca 0.27 -0.14 -0.00 0.00 0.50 0.00 0.00 58.65 59.27 2kmf h GLN 101 Cb -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.52 2kmf h GLN 101 CO -0.10 0.64 -0.04 0.00 -1.50 0.00 0.00 178.83 177.84 2kmf h ALA 102 N 1.35 -0.10 -0.68 3.87 0.00 -0.73 -1.60 119.26 121.36 2kmf h ALA 102 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kmf h ALA 102 Cb 0.77 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2kmf h ALA 102 CO 0.06 -0.26 0.30 1.05 0.00 0.00 0.00 179.25 180.40 2kmf h GLU 103 N -0.69 0.99 0.00 0.00 4.11 -0.71 -2.21 114.58 116.07 2kmf h GLU 103 Ca -0.01 -0.16 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 2kmf h GLU 103 Cb 0.56 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kmf h GLU 103 CO 0.02 0.81 -0.39 0.07 0.07 0.00 0.00 179.01 179.58 2kmf h ARG 104 N 0.95 0.00 0.00 1.06 -0.00 -1.50 -2.71 114.38 112.18 2kmf h ARG 104 Ca 0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.14 2kmf h ARG 104 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.12 2kmf h ARG 104 CO -0.02 0.39 -0.33 1.03 -0.00 0.00 0.00 179.97 181.04 2kmf h SER 105 N 0.00 0.00 -0.56 0.08 0.87 -0.71 -3.00 113.55 110.23 2kmf h SER 105 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kmf h SER 105 Cb 0.94 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2kmf h SER 105 CO 0.05 0.33 0.20 0.40 -0.53 0.00 0.00 176.83 177.28 2kmf h ILE 106 N 0.00 1.23 -0.52 2.23 1.08 -1.08 -1.29 117.51 119.15 2kmf h ILE 106 Ca -0.00 -0.75 0.10 0.00 -0.39 0.00 0.00 64.86 63.82 2kmf h ILE 106 Cb 0.72 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 35.05 2kmf h ILE 106 CO 0.04 0.28 0.01 -0.33 -0.69 0.00 0.00 178.15 177.47 2kmf h GLU 107 N 0.78 0.13 0.00 2.37 5.08 -1.61 0.38 114.58 121.70 2kmf h GLU 107 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2kmf h GLU 107 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kmf h GLU 107 CO -0.01 0.08 0.00 0.07 -1.00 0.00 0.00 179.01 178.15 2kmf h ARG 108 N 0.13 0.00 -5.91 2.33 0.11 -1.63 -3.47 114.38 105.94 2kmf h ARG 108 Ca 0.27 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.99 2kmf h ARG 108 Cb 0.40 0.00 0.13 0.00 1.11 0.00 0.00 29.97 31.62 2kmf h ARG 108 CO -0.43 0.00 -0.91 0.41 0.10 0.00 0.00 179.97 179.14 2kmf n GLY 109 N 0.71 -1.06 0.00 0.08 0.00 0.13 -5.14 105.19 99.92 2kmf n GLY 109 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65