#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 -6.90 1.61 0.13 -2.10 -3.43 132.00 121.31 2kmf h PRO -3 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2kmf h PRO -3 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2kmf h PRO -3 CO 0.00 0.00 0.43 -0.51 -0.23 0.00 0.00 178.00 177.69 2kmf s LEU -2 N -6.01 4.31 0.00 1.56 1.02 -1.26 -5.05 118.68 113.24 2kmf s LEU -2 Ca -0.01 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.25 2kmf s LEU -2 Cb 0.10 -3.97 0.00 0.00 0.02 0.00 0.00 46.19 42.34 2kmf s LEU -2 CO 0.48 -0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.13 2kmf n GLY -1 N 0.68 -0.92 3.35 -3.19 0.00 -1.26 -4.71 105.19 99.14 2kmf n GLY -1 Ca 0.03 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 2kmf n GLY -1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kmf n SER 0 N -0.64 -6.37 -4.73 1.61 2.88 -1.26 -4.95 113.62 100.15 2kmf n SER 0 Ca 0.00 -0.77 -0.40 0.00 -1.33 0.00 0.00 58.87 56.37 2kmf n SER 0 Cb 0.00 -4.79 -0.05 0.00 -0.75 0.00 0.00 64.21 58.62 2kmf n SER 0 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kmf s ASP 2 N 0.53 6.39 -0.02 0.00 1.01 -1.26 -5.05 116.67 118.26 2kmf s ASP 2 Ca 0.40 2.15 -0.19 0.00 0.71 0.00 0.00 52.55 55.62 2kmf s ASP 2 Cb -0.19 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.18 2kmf s ASP 2 CO 0.21 -0.76 0.40 -0.94 0.21 0.00 0.00 175.17 174.30 2kmf s SER 3 N -1.53 -0.31 0.00 0.27 1.04 -1.26 -5.17 113.70 106.74 2kmf s SER 3 Ca 0.62 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2kmf s SER 3 Cb -0.24 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2kmf s SER 3 CO 0.30 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2kmf n GLY 4 N 1.17 -0.28 0.26 7.32 0.00 -1.26 -5.02 105.19 107.39 2kmf n GLY 4 Ca -0.21 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 0.11 1.25 0.00 2.61 1.35 -1.95 -3.46 112.91 112.82 2kmf h THR 5 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2kmf h THR 5 Cb 0.00 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2kmf h THR 5 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2kmf n GLY 6 N -0.49 0.48 3.76 5.82 0.00 -1.26 -4.94 105.19 108.56 2kmf n GLY 6 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.46 0.00 0.99 1.43 -1.26 -4.93 118.68 119.37 2kmf s LEU 7 Ca 0.00 2.56 0.17 0.00 -1.03 0.00 0.00 54.13 55.83 2kmf s LEU 7 Cb 0.00 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 2kmf s LEU 7 CO 0.00 -0.44 0.82 0.35 0.23 0.00 0.00 176.35 177.31 2kmf n THR 8 N 1.06 0.00 0.00 5.49 -2.24 -1.26 -4.97 114.28 112.36 2kmf n THR 8 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kmf n THR 8 Cb 0.43 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 1.29 0.28 3.58 3.38 0.00 -1.26 -5.06 105.19 107.40 2kmf n GLY 9 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.12 6.43 0.55 1.61 6.03 -1.26 -4.93 114.94 121.25 2kmf s ASN 10 Ca 0.00 0.20 0.27 0.00 -1.03 0.00 0.00 52.86 52.30 2kmf s ASN 10 Cb 0.00 -2.32 1.47 0.00 -3.03 0.00 0.00 41.25 37.37 2kmf s ASN 10 CO 0.00 -0.54 1.98 0.22 -2.03 0.00 0.00 177.10 176.73 2kmf h TYR 11 N 8.39 0.00 0.51 1.54 3.20 -1.97 0.45 116.97 129.09 2kmf h TYR 11 Ca -0.27 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.58 2kmf h TYR 11 Cb 1.11 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.39 2kmf h TYR 11 CO 0.75 0.00 -0.25 1.03 -1.64 0.00 0.00 178.16 178.05 2kmf h SER 12 N 0.00 -0.58 0.67 -2.11 0.87 -1.98 -2.89 113.55 107.53 2kmf h SER 12 Ca 0.23 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.55 2kmf h SER 12 Cb 1.00 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2kmf h SER 12 CO -0.00 -0.18 -0.88 -0.61 -0.53 0.00 0.00 176.83 174.63 2kmf h GLN 13 N -1.09 0.13 -0.98 2.24 4.15 -1.91 -3.24 115.11 114.42 2kmf h GLN 13 Ca -0.07 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2kmf h GLN 13 Cb 0.59 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 2kmf h GLN 13 CO 0.12 0.92 0.64 -0.44 -1.93 0.00 0.00 178.83 178.14 2kmf h ASP 14 N 0.07 1.09 -0.43 -0.69 3.32 -0.21 0.33 116.42 119.90 2kmf h ASP 14 Ca -0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2kmf h ASP 14 Cb 1.51 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2kmf h ASP 14 CO 0.13 0.77 0.26 0.74 -1.72 0.00 0.00 179.24 179.42 2kmf h THR 15 N 1.28 1.13 -0.49 0.35 2.02 -1.53 -1.62 112.91 114.04 2kmf h THR 15 Ca 0.37 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 67.16 2kmf h THR 15 Cb -0.08 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2kmf h THR 15 CO -0.10 0.13 -0.13 0.25 0.37 0.00 0.00 175.52 176.04 2kmf h LEU 16 N 0.57 0.93 0.12 2.58 6.46 -1.38 -1.61 115.31 122.98 2kmf h LEU 16 Ca 0.15 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 2kmf h LEU 16 Cb -0.02 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.66 2kmf h LEU 16 CO -0.03 1.07 -0.06 0.74 -0.62 0.00 0.00 178.44 179.53 2kmf h THR 17 N 0.83 0.88 -0.57 1.05 2.02 0.04 0.38 112.91 117.54 2kmf h THR 17 Ca 0.13 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 2kmf h THR 17 Cb 0.67 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2kmf h THR 17 CO 0.05 0.00 0.02 1.62 0.37 0.00 0.00 175.52 177.58 2kmf h VAL 18 N -0.17 1.26 -0.21 3.16 3.04 -1.31 -2.05 116.25 119.97 2kmf h VAL 18 Ca -0.02 -1.10 -0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2kmf h VAL 18 Cb 0.13 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2kmf h VAL 18 CO 0.03 0.39 0.11 0.40 -1.01 0.00 0.00 177.57 177.50 2kmf h ILE 19 N 0.88 1.11 -0.91 3.17 2.04 -1.08 0.16 117.51 122.88 2kmf h ILE 19 Ca 0.16 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2kmf h ILE 19 Cb 0.52 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2kmf h ILE 19 CO 0.03 0.11 0.59 0.00 0.00 0.00 0.00 178.15 178.87 2kmf h ALA 20 N 1.00 1.22 -0.26 1.87 0.00 -0.13 0.32 119.26 123.28 2kmf h ALA 20 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 20 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kmf h ALA 20 CO -0.01 0.43 -0.08 1.15 0.00 0.00 0.00 179.25 180.75 2kmf h THR 21 N 1.13 1.29 -0.41 0.00 2.02 -0.98 -2.76 112.91 113.20 2kmf h THR 21 Ca 0.37 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 2kmf h THR 21 Cb 0.04 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2kmf h THR 21 CO -0.13 0.35 -0.00 -0.07 0.37 0.00 0.00 175.52 176.04 2kmf h LEU 22 N 0.25 0.71 -0.18 2.58 3.38 -0.16 -0.23 115.31 121.67 2kmf h LEU 22 Ca 0.06 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2kmf h LEU 22 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2kmf h LEU 22 CO 0.03 0.85 0.04 0.03 0.09 0.00 0.00 178.44 179.47 2kmf h ARG 23 N 0.56 0.11 -0.21 1.13 3.08 -0.38 -0.83 114.38 117.84 2kmf h ARG 23 Ca 0.12 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 2kmf h ARG 23 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kmf h ARG 23 CO 0.02 0.07 -0.42 1.05 -1.07 0.00 0.00 179.97 179.62 2kmf h GLU 24 N 0.11 0.51 -0.03 0.04 4.11 -1.48 -1.57 114.58 116.26 2kmf h GLU 24 Ca 0.08 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2kmf h GLU 24 Cb 0.07 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kmf h GLU 24 CO -0.10 0.84 0.02 0.00 0.07 0.00 0.00 179.01 179.84 2kmf h ALA 25 N 1.13 0.04 0.00 1.06 0.00 -0.58 -1.83 119.26 119.08 2kmf h ALA 25 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kmf h ALA 25 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kmf h ALA 25 CO 0.08 -0.44 0.00 -0.84 0.00 0.00 0.00 179.25 178.05 2kmf h ILE 26 N 0.00 0.00 -0.25 0.00 3.07 -1.18 -2.99 117.51 116.16 2kmf h ILE 26 Ca 0.01 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.73 2kmf h ILE 26 Cb 0.04 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 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 -2.72 1.97 -4.84 2.16 2.03 -0.59 -4.85 116.55 109.71 2kmf n ASP 27 Ca 0.04 -1.82 -0.32 0.00 0.52 0.00 0.00 54.79 53.21 2kmf n ASP 27 Cb 0.44 -0.17 -0.05 0.00 -0.72 0.00 0.00 41.12 40.63 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 -1.39 3.76 0.43 -2.67 2.34 -0.72 -5.00 118.68 115.42 2kmf s LEU 28 Ca 0.31 1.56 -0.23 0.00 0.06 0.00 0.00 54.13 55.83 2kmf s LEU 28 Cb 0.17 -4.46 -0.08 0.00 -0.56 0.00 0.00 46.19 41.26 2kmf s LEU 28 CO 0.24 -0.48 1.10 -2.16 -1.06 0.00 0.00 176.35 173.99 2kmf s PRO 29 N -3.72 3.97 0.21 1.48 0.04 -1.26 -4.89 135.00 130.83 2kmf s PRO 29 Ca 0.59 1.63 0.15 0.00 0.04 0.00 0.00 61.00 63.41 2kmf s PRO 29 Cb -0.10 -2.47 0.81 0.00 0.04 0.00 0.00 34.50 32.78 2kmf s PRO 29 CO 0.25 -0.34 1.47 0.00 0.04 0.00 0.00 177.00 178.43 2kmf n GLN 30 N -0.29 0.10 -0.19 4.56 0.00 -1.26 -0.28 117.38 120.03 2kmf n GLN 30 Ca 0.06 0.57 0.11 0.00 0.00 0.00 0.00 57.00 57.74 2kmf n GLN 30 Cb 0.49 -1.81 0.27 0.00 0.00 0.00 0.00 30.24 29.19 2kmf n GLN 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kmf n ASP 31 N -2.02 2.87 -4.71 2.61 2.03 -1.26 -4.95 116.55 111.12 2kmf n ASP 31 Ca -0.01 -1.92 -0.42 0.00 0.52 0.00 0.00 54.79 52.96 2kmf n ASP 31 Cb 0.05 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmf s ALA 32 N -1.51 3.71 -0.10 -1.67 0.00 0.62 -4.91 121.76 117.91 2kmf s ALA 32 Ca 0.37 1.28 0.30 0.00 0.00 0.00 0.00 51.96 53.90 2kmf s ALA 32 Cb 0.21 -3.60 1.04 0.00 0.00 0.00 0.00 23.12 20.76 2kmf s ALA 32 CO 0.29 -0.76 1.86 -1.00 0.00 0.00 0.00 175.76 176.15 2kmf h PRO 33 N 6.93 0.00 -0.65 0.00 0.13 -1.92 -2.91 132.00 133.58 2kmf h PRO 33 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kmf h PRO 33 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kmf h PRO 33 CO 0.90 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.94 2kmf n ASN 34 N -3.04 4.85 -0.21 1.44 6.94 -1.26 -4.38 115.26 119.59 2kmf n ASN 34 Ca 0.02 -2.71 -0.09 0.00 -0.02 0.00 0.00 54.58 51.78 2kmf n ASN 34 Cb 0.37 -0.63 0.03 0.00 -2.36 0.00 0.00 39.78 37.18 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 3.42 1.03 -0.11 -3.83 2.43 -1.88 0.34 114.38 115.78 2kmf h ARG 35 Ca 0.00 -0.30 -0.16 0.00 -0.81 0.00 0.00 59.98 58.71 2kmf h ARG 35 Cb 1.66 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2kmf h ARG 35 CO 0.38 0.99 -0.57 0.37 -1.51 0.00 0.00 179.97 179.62 2kmf h GLN 36 N 0.94 0.58 -0.23 0.20 5.75 -1.85 -2.86 115.11 117.65 2kmf h GLN 36 Ca 0.18 -0.48 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 2kmf h GLN 36 Cb 0.48 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 2kmf h GLN 36 CO 0.02 1.10 -0.16 1.49 -2.65 0.00 0.00 178.83 178.63 2kmf h GLU 37 N 0.21 0.52 -0.26 1.69 4.81 -1.81 -3.07 114.58 116.67 2kmf h GLU 37 Ca -0.04 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2kmf h GLU 37 Cb 1.21 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2kmf h GLU 37 CO 0.12 0.81 -0.02 -0.24 -0.73 0.00 0.00 179.01 178.95 2kmf h VAL 38 N 0.22 1.17 -0.12 0.32 3.04 -0.42 -2.16 116.25 118.31 2kmf h VAL 38 Ca 0.04 -0.68 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 2kmf h VAL 38 Cb 0.69 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2kmf h VAL 38 CO 0.04 0.23 0.06 1.56 -1.01 0.00 0.00 177.57 178.45 2kmf h GLN 39 N 0.38 0.12 -0.82 4.17 4.20 -1.44 0.41 115.11 122.14 2kmf h GLN 39 Ca 0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2kmf h GLN 39 Cb 0.29 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 2kmf h GLN 39 CO 0.01 0.08 0.41 -0.44 -0.67 0.00 0.00 178.83 178.22 2kmf h ASP 40 N 0.13 1.06 -0.27 1.46 3.32 -1.39 -0.30 116.42 120.43 2kmf h ASP 40 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2kmf h ASP 40 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2kmf h ASP 40 CO -0.03 0.89 0.14 0.74 -1.72 0.00 0.00 179.24 179.26 2kmf h THR 41 N 1.17 1.13 -0.58 0.35 2.02 -0.85 -2.34 112.91 113.81 2kmf h THR 41 Ca 0.29 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2kmf h THR 41 Cb 0.10 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2kmf h THR 41 CO -0.04 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.09 2kmf h ALA 42 N 1.01 0.77 -0.79 6.16 0.00 -0.64 -2.67 119.26 123.10 2kmf h ALA 42 Ca 0.09 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 42 Cb 0.08 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.56 2kmf h ALA 42 CO -0.01 0.51 0.39 -0.09 0.00 0.00 0.00 179.25 180.04 2kmf h ARG 43 N 0.86 0.57 -0.69 0.00 9.65 -0.83 0.94 114.38 124.87 2kmf h ARG 43 Ca 0.18 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2kmf h ARG 43 Cb 0.40 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 2kmf h ARG 43 CO 0.01 0.38 0.40 0.78 2.80 0.00 0.00 179.97 184.33 2kmf h GLY 44 N 0.59 1.02 0.98 2.80 0.00 -1.10 -1.58 103.07 105.78 2kmf h GLY 44 Ca 0.42 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2kmf h GLY 44 CO -0.34 0.43 0.22 1.46 0.00 0.00 0.00 176.54 178.31 2kmf h GLN 45 N 0.95 0.82 0.47 4.80 1.08 -0.65 0.25 115.11 122.83 2kmf h GLN 45 Ca 0.25 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2kmf h GLN 45 Cb 0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2kmf h GLN 45 CO -0.04 0.71 -0.23 0.82 -0.95 0.00 0.00 178.83 179.14 2kmf h ILE 46 N 0.75 0.54 -0.46 2.54 2.04 -0.59 0.26 117.51 122.58 2kmf h ILE 46 Ca 0.18 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 2kmf h ILE 46 Cb 0.19 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2kmf h ILE 46 CO -0.02 0.01 0.05 0.78 0.00 0.00 0.00 178.15 178.97 2kmf h ASN 47 N -0.65 0.76 -0.64 1.72 2.35 -1.25 -2.91 115.58 114.96 2kmf h ASN 47 Ca -0.06 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.35 2kmf h ASN 47 Cb 0.49 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2kmf h ASN 47 CO 0.11 0.85 0.18 0.44 -1.65 0.00 0.00 177.43 177.36 2kmf h ASP 48 N 0.65 0.97 0.65 5.81 3.32 -0.44 0.86 116.42 128.24 2kmf h ASP 48 Ca 0.14 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2kmf h ASP 48 Cb 0.43 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2kmf h ASP 48 CO 0.01 0.92 -0.36 0.22 -1.72 0.00 0.00 179.24 178.31 2kmf h TYR 49 N 0.99 -0.96 -0.06 4.55 3.20 -0.35 -1.50 116.97 122.84 2kmf h TYR 49 Ca 0.21 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2kmf h TYR 49 Cb 0.32 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2kmf h TYR 49 CO 0.02 -0.56 -0.39 -0.84 -1.64 0.00 0.00 178.16 174.75 2kmf h ILE 50 N -0.94 1.30 -0.13 1.81 3.07 -1.55 -1.39 117.51 119.68 2kmf h ILE 50 Ca -0.09 -1.43 -0.00 0.00 1.55 0.00 0.00 64.86 64.89 2kmf h ILE 50 Cb 0.74 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 2kmf h ILE 50 CO 0.11 0.42 0.08 -1.28 -1.05 0.00 0.00 178.15 176.43 2kmf h SER 51 N 0.11 0.16 0.89 2.16 0.87 -0.74 2.28 113.55 119.28 2kmf h SER 51 Ca 0.01 -0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.32 2kmf h SER 51 Cb 0.75 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 2kmf h SER 51 CO 0.06 0.17 -0.88 0.08 -0.53 0.00 0.00 176.83 175.74 2kmf h ARG 52 N 0.13 0.00 -0.58 2.24 0.11 -1.25 -3.18 114.38 111.85 2kmf h ARG 52 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2kmf h ARG 52 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2kmf h ARG 52 CO -0.01 0.88 0.00 0.66 0.10 0.00 0.00 179.97 181.60 2kmf n TYR 53 N -3.49 1.38 -0.16 4.08 4.01 -0.53 -4.57 117.16 117.89 2kmf n TYR 53 Ca -0.00 -0.64 -0.03 0.00 -0.16 0.00 0.00 57.90 57.07 2kmf n TYR 53 Cb 0.84 -0.25 0.06 0.00 -0.31 0.00 0.00 39.34 39.68 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 3.67 0.30 -0.00 -0.72 9.65 0.38 0.12 114.38 127.79 2kmf h ARG 54 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2kmf h ARG 54 Cb 1.42 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 2kmf h ARG 54 CO 0.23 0.20 -0.01 2.89 2.80 0.00 0.00 179.97 186.08 2kmf n ARG 55 N -5.04 0.63 -1.40 0.20 1.85 -1.26 -3.62 116.66 108.01 2kmf n ARG 55 Ca 0.05 -0.03 -0.30 0.00 -1.00 0.00 0.00 57.85 56.57 2kmf n ARG 55 Cb 0.21 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.03 2kmf n ARG 55 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kmf n LYS 56 N -1.16 0.76 -0.84 2.89 0.00 0.41 -3.33 118.16 116.90 2kmf n LYS 56 Ca 0.17 -1.80 0.00 0.00 0.00 0.00 0.00 58.31 56.68 2kmf n LYS 56 Cb 0.21 -3.38 0.00 0.00 0.00 0.00 0.00 35.03 31.85 2kmf n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kmf n GLY 57 N 5.49 0.59 2.39 3.14 0.00 -1.26 -3.60 105.19 111.94 2kmf n GLY 57 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 2kmf n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kmf n ASP 58 N -0.05 -1.69 -2.52 1.61 5.68 -1.21 -2.02 116.55 116.34 2kmf n ASP 58 Ca 0.00 0.40 -0.06 0.00 -0.50 0.00 0.00 54.79 54.62 2kmf n ASP 58 Cb 0.03 -1.57 0.01 0.00 -1.14 0.00 0.00 41.12 38.44 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kmf n ALA 59 N -2.29 -3.01 -1.96 2.12 0.00 -1.24 -5.01 120.51 109.12 2kmf n ALA 59 Ca -0.04 0.90 -0.04 0.00 0.00 0.00 0.00 53.44 54.25 2kmf n ALA 59 Cb 0.50 -2.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 -0.35 0.35 0.00 0.00 0.00 -0.86 -4.95 105.19 99.37 2kmf n GLY 60 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.16 0.00 3.49 -0.02 0.00 -1.26 -5.10 105.19 102.14 2kmf n GLY 61 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.12 3.59 0.16 0.99 1.02 -1.26 -4.95 118.68 118.10 2kmf s LEU 62 Ca 0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 2kmf s LEU 62 Cb 0.00 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.27 2kmf s LEU 62 CO 0.00 -0.03 1.60 0.11 0.02 0.00 0.00 176.35 178.05 2kmf h LYS 63 N 8.20 0.94 -0.00 1.70 6.56 -1.96 -1.31 116.57 130.70 2kmf h LYS 63 Ca -0.37 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 58.89 2kmf h LYS 63 Cb 1.18 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2kmf h LYS 63 CO 0.58 0.98 0.00 1.03 -2.06 0.00 0.00 179.45 179.98 2kmf h SER 64 N 0.81 0.00 -0.13 0.86 0.87 -1.87 0.46 113.55 114.55 2kmf h SER 64 Ca 0.14 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2kmf h SER 64 Cb 0.58 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kmf h SER 64 CO 0.03 0.03 0.04 0.15 -0.53 0.00 0.00 176.83 176.55 2kmf h PHE 65 N -0.03 0.21 -0.20 2.24 3.57 -1.94 0.14 116.94 120.93 2kmf h PHE 65 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2kmf h PHE 65 Cb 0.03 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2kmf h PHE 65 CO -0.07 0.34 0.05 1.15 -2.23 0.00 0.00 178.31 177.55 2kmf h THR 66 N 0.03 1.20 -0.32 4.41 2.02 -1.17 0.12 112.91 119.21 2kmf h THR 66 Ca 0.04 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2kmf h THR 66 Cb 0.22 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2kmf h THR 66 CO -0.00 0.21 0.14 0.74 0.37 0.00 0.00 175.52 176.97 2kmf h THR 67 N 0.14 1.17 -0.64 3.16 2.02 -0.05 -2.91 112.91 115.81 2kmf h THR 67 Ca 0.06 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 2kmf h THR 67 Cb 0.27 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2kmf h THR 67 CO 0.00 0.18 0.09 0.24 0.37 0.00 0.00 175.52 176.41 2kmf h MET 68 N 0.37 1.07 -0.43 6.66 2.07 -0.66 -0.77 114.93 123.23 2kmf h MET 68 Ca 0.11 -0.29 0.07 0.00 -2.07 0.00 0.00 59.70 57.52 2kmf h MET 68 Cb 0.16 -0.12 -0.09 0.00 -1.87 0.00 0.00 31.60 29.68 2kmf h MET 68 CO -0.01 0.99 -0.45 0.37 1.07 0.00 0.00 176.91 178.88 2kmf h GLN 69 N 0.98 -0.31 -0.21 1.72 4.15 -0.55 0.49 115.11 121.38 2kmf h GLN 69 Ca 0.19 0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 2kmf h GLN 69 Cb 0.45 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2kmf h GLN 69 CO 0.01 -0.21 -0.31 1.15 -1.93 0.00 0.00 178.83 177.55 2kmf h THR 70 N -0.33 1.33 -0.02 2.39 2.02 -1.49 -2.43 112.91 114.38 2kmf h THR 70 Ca 0.13 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 65.82 2kmf h THR 70 Cb 0.58 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2kmf h THR 70 CO -0.59 0.47 -0.09 0.00 0.37 0.00 0.00 175.52 175.68 2kmf h ALA 71 N 0.62 -0.07 -0.78 6.16 0.00 -0.50 0.20 119.26 124.89 2kmf h ALA 71 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 71 Cb 0.89 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2kmf h ALA 71 CO 0.07 -0.57 0.29 -0.07 0.00 0.00 0.00 179.25 178.97 2kmf h LEU 72 N -0.14 1.10 -1.09 0.00 4.07 -0.13 -2.41 115.31 116.72 2kmf h LEU 72 Ca 0.04 -0.19 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 2kmf h LEU 72 Cb 0.19 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2kmf h LEU 72 CO -0.11 0.99 -0.03 0.78 -1.08 0.00 0.00 178.44 179.00 2kmf h ASN 73 N 1.15 0.58 0.53 -0.43 2.35 -1.02 -0.13 115.58 118.61 2kmf h ASN 73 Ca 0.26 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2kmf h ASN 73 Cb 0.25 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2kmf h ASN 73 CO -0.02 0.67 -0.26 0.77 -1.65 0.00 0.00 177.43 176.94 2kmf h SER 74 N 0.57 -0.61 0.65 5.81 4.64 -0.10 -2.94 113.55 121.57 2kmf h SER 74 Ca 0.12 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 2kmf h SER 74 Cb 0.40 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2kmf h SER 74 CO 0.02 -0.44 -0.65 0.17 -0.87 0.00 0.00 176.83 175.06 2kmf h LEU 75 N -0.72 0.00 -2.20 5.97 8.10 -1.50 -2.89 115.31 122.08 2kmf h LEU 75 Ca -0.07 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.98 2kmf h LEU 75 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2kmf h LEU 75 CO 0.12 0.65 0.23 0.00 -4.11 0.00 0.00 178.44 175.33 2kmf h ALA 76 N 1.35 1.83 0.00 0.17 0.00 -0.89 0.26 119.26 121.98 2kmf h ALA 76 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2kmf h ALA 76 Cb 1.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2kmf h ALA 76 CO 0.08 -0.34 -0.81 0.78 0.00 0.00 0.00 179.25 178.97 2kmf h GLY 77 N 0.00 0.00 1.19 0.00 0.00 -1.34 -3.31 103.07 99.61 2kmf h GLY 77 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 2kmf h GLY 77 CO -0.00 0.00 0.12 -0.97 0.00 0.00 0.00 176.54 175.69 2kmf h TYR 78 N 0.00 1.05 -0.64 5.60 -1.99 -0.54 1.30 116.97 121.75 2kmf h TYR 78 Ca -0.04 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.51 2kmf h TYR 78 Cb 1.53 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 39.94 2kmf h TYR 78 CO 0.00 0.88 0.19 1.88 -0.00 0.00 0.00 178.16 181.11 2kmf h TYR 79 N 0.95 1.00 0.07 4.88 0.05 -1.62 -1.08 116.97 121.22 2kmf h TYR 79 Ca 0.20 -0.09 -0.34 0.00 0.05 0.00 0.00 58.73 58.54 2kmf h TYR 79 Cb 0.38 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2kmf h TYR 79 CO 0.03 0.80 -1.96 -2.37 -1.05 0.00 0.00 178.16 173.61 2kmf n THR 80 N -4.27 1.69 -0.14 -2.88 5.66 -1.08 -0.99 114.28 112.28 2kmf n THR 80 Ca 0.05 -0.70 -0.09 0.00 -3.05 0.00 0.00 64.05 60.26 2kmf n THR 80 Cb 0.22 -1.43 -0.00 0.00 -1.55 0.00 0.00 70.33 67.56 2kmf n THR 80 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kmf h SER 81 N 0.04 0.55 -0.00 1.09 0.87 0.17 -3.20 113.55 113.07 2kmf h SER 81 Ca -0.40 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2kmf h SER 81 Cb 2.03 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 2kmf h SER 81 CO 0.07 0.54 -0.62 -1.22 -0.53 0.00 0.00 176.83 175.07 2kmf n TYR 82 N -4.67 0.00 -2.43 2.24 4.01 -0.41 -5.05 117.16 110.85 2kmf n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kmf n TYR 82 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 1.30 0.42 0.00 2.72 0.00 -0.16 -3.71 105.19 105.76 2kmf n GLY 83 Ca 0.03 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 4.71 2.47 -1.72 4.61 0.00 -1.25 -4.28 120.51 125.05 2kmf n ALA 84 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 2kmf n ALA 84 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.95 2.19 -2.29 0.00 1.74 -1.24 -4.85 116.66 111.25 2kmf n ARG 85 Ca 0.18 0.77 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 2kmf n ARG 85 Cb 0.08 -2.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.06 2kmf n ARG 85 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kmf s PRO 86 N -2.08 4.04 0.26 5.56 0.04 -1.26 -4.88 135.00 136.68 2kmf s PRO 86 Ca 0.57 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2kmf s PRO 86 Cb -0.52 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 2kmf s PRO 86 CO 0.61 -0.33 1.28 0.42 0.04 0.00 0.00 177.00 179.02 2kmf s ILE 87 N -1.43 3.07 0.69 0.56 1.01 -1.26 -4.99 121.20 118.85 2kmf s ILE 87 Ca 0.57 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 62.04 2kmf s ILE 87 Cb -0.30 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.57 2kmf s ILE 87 CO 0.38 0.19 1.18 -2.16 0.00 0.00 0.00 174.94 174.53 2kmf s PRO 88 N -0.91 2.43 0.33 2.79 0.04 -1.26 -4.83 135.00 133.59 2kmf s PRO 88 Ca 0.52 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2kmf s PRO 88 Cb -0.37 -1.88 0.57 0.00 0.04 0.00 0.00 34.50 32.86 2kmf s PRO 88 CO 0.44 -1.59 1.97 0.93 0.04 0.00 0.00 177.00 178.79 2kmf h GLU 89 N -0.06 0.85 -0.09 4.56 3.07 -1.95 -1.57 114.58 119.39 2kmf h GLU 89 Ca -0.48 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 58.35 2kmf h GLU 89 Cb 1.28 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.96 2kmf h GLU 89 CO 0.52 0.61 -0.21 0.87 -1.40 0.00 0.00 179.01 179.40 2kmf h LYS 90 N 0.87 -0.27 -0.47 2.33 1.57 -2.01 -1.84 116.57 116.74 2kmf h LYS 90 Ca 0.23 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2kmf h LYS 90 Cb -0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2kmf h LYS 90 CO -0.04 -0.18 0.09 1.25 -0.57 0.00 0.00 179.45 179.99 2kmf h LEU 91 N -0.28 0.74 -0.94 2.94 5.85 -1.87 -2.91 115.31 118.85 2kmf h LEU 91 Ca 0.09 -0.25 0.25 0.00 0.84 0.00 0.00 57.88 58.80 2kmf h LEU 91 Cb 0.41 -0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.11 2kmf h LEU 91 CO -0.26 0.81 0.46 0.50 -0.34 0.00 0.00 178.44 179.60 2kmf h LYS 92 N 0.65 0.39 -0.47 1.25 3.64 -0.69 0.19 116.57 121.54 2kmf h LYS 92 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2kmf h LYS 92 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2kmf h LYS 92 CO 0.01 0.26 0.30 0.87 -2.27 0.00 0.00 179.45 178.61 2kmf h LYS 93 N 0.40 0.62 -0.46 1.90 1.57 -1.14 0.11 116.57 119.57 2kmf h LYS 93 Ca 0.61 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.32 2kmf h LYS 93 Cb 1.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2kmf h LYS 93 CO -0.55 0.43 0.16 0.00 -0.57 0.00 0.00 179.45 178.93 2kmf h ARG 94 N 0.63 0.70 -0.56 3.15 3.08 -0.71 -2.92 114.38 117.75 2kmf h ARG 94 Ca 0.17 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2kmf h ARG 94 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2kmf h ARG 94 CO -0.03 0.66 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.43 2kmf h LEU 95 N 0.61 0.96 -0.55 3.04 -0.00 -0.98 -2.67 115.31 115.72 2kmf h LEU 95 Ca 0.15 -0.27 0.09 0.00 -0.00 0.00 0.00 57.88 57.85 2kmf h LEU 95 Cb 0.23 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 40.56 2kmf h LEU 95 CO -0.01 1.03 0.16 1.56 -0.00 0.00 0.00 178.44 181.19 2kmf h GLN 96 N 0.90 0.31 -0.60 1.13 1.08 -0.60 -1.13 115.11 116.20 2kmf h GLN 96 Ca 0.16 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 2kmf h GLN 96 Cb 0.56 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2kmf h GLN 96 CO 0.03 0.21 0.14 -0.07 -0.95 0.00 0.00 178.83 178.18 2kmf h LEU 97 N 0.32 0.91 -0.63 1.46 4.07 -1.39 -2.06 115.31 117.99 2kmf h LEU 97 Ca 0.28 -0.24 0.09 0.00 0.08 0.00 0.00 57.88 58.09 2kmf h LEU 97 Cb 0.35 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 41.78 2kmf h LEU 97 CO -0.31 0.91 0.26 -0.33 -1.08 0.00 0.00 178.44 177.88 2kmf h GLU 98 N 0.87 0.44 -0.20 1.13 4.39 -0.90 -0.58 114.58 119.73 2kmf h GLU 98 Ca 0.19 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 2kmf h GLU 98 Cb 0.36 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kmf h GLU 98 CO 0.00 0.29 -0.39 0.74 -1.16 0.00 0.00 179.01 178.49 2kmf h PHE 99 N 0.45 0.53 -0.60 4.33 0.04 -1.14 -2.26 116.94 118.29 2kmf h PHE 99 Ca 0.31 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.95 2kmf h PHE 99 Cb 0.37 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 2kmf h PHE 99 CO -0.15 0.78 0.39 1.15 -0.60 0.00 0.00 178.31 179.88 2kmf h THR 100 N 0.38 1.13 -0.21 -1.55 2.02 -0.42 0.18 112.91 114.43 2kmf h THR 100 Ca 0.04 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2kmf h THR 100 Cb 0.86 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2kmf h THR 100 CO 0.07 0.14 -0.34 1.56 0.37 0.00 0.00 175.52 177.33 2kmf h GLN 101 N 0.79 0.43 0.15 6.66 4.20 -1.12 -1.59 115.11 124.64 2kmf h GLN 101 Ca 0.23 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2kmf h GLN 101 Cb -0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2kmf h GLN 101 CO -0.07 0.72 -0.07 0.00 -0.67 0.00 0.00 178.83 178.74 2kmf h ALA 102 N 1.28 -0.20 -0.92 3.87 0.00 -0.74 -0.33 119.26 122.21 2kmf h ALA 102 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kmf h ALA 102 Cb 0.77 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2kmf h ALA 102 CO 0.06 -0.35 0.52 1.05 0.00 0.00 0.00 179.25 180.52 2kmf h GLU 103 N -0.73 1.27 -0.46 0.00 4.11 -0.71 -2.16 114.58 115.90 2kmf h GLU 103 Ca -0.02 -0.14 -0.09 0.00 0.07 0.00 0.00 59.36 59.18 2kmf h GLU 103 Cb 0.52 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kmf h GLU 103 CO 0.03 0.92 -0.09 0.00 0.07 0.00 0.00 179.01 179.95 2kmf h ARG 104 N 1.28 0.82 0.00 1.06 3.08 -1.32 -2.58 114.38 116.73 2kmf h ARG 104 Ca 0.32 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2kmf h ARG 104 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2kmf h ARG 104 CO -0.05 0.88 -0.04 0.77 -1.07 0.00 0.00 179.97 180.46 2kmf h SER 105 N 0.75 0.00 -0.57 7.04 0.02 -0.41 -2.07 113.55 118.31 2kmf h SER 105 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2kmf h SER 105 Cb 0.58 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2kmf h SER 105 CO 0.04 0.04 0.27 0.40 -1.14 0.00 0.00 176.83 176.44 2kmf h ILE 106 N 0.00 1.21 -0.65 3.27 1.08 -1.10 -0.57 117.51 120.74 2kmf h ILE 106 Ca -0.00 -0.58 -0.06 0.00 -0.39 0.00 0.00 64.86 63.83 2kmf h ILE 106 Cb 0.09 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 2kmf h ILE 106 CO 0.01 0.23 0.16 -0.08 -0.69 0.00 0.00 178.15 177.78 2kmf h GLU 107 N 0.77 1.02 0.00 2.37 4.81 -1.46 -1.71 114.58 120.38 2kmf h GLU 107 Ca 0.19 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2kmf h GLU 107 Cb 0.12 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2kmf h GLU 107 CO -0.02 0.90 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.91 2kmf h ARG 108 N 0.97 0.00 -2.58 1.92 2.43 -1.26 -3.46 114.38 112.40 2kmf h ARG 108 Ca 0.21 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.10 2kmf h ARG 108 Cb 0.34 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2kmf h ARG 108 CO -0.00 0.16 -0.38 0.41 -1.51 0.00 0.00 179.97 178.65 2kmf n GLY 109 N -0.28 -0.16 0.00 2.80 0.00 -0.27 -5.11 105.19 102.17 2kmf n GLY 109 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65