#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmf n PRO -3 N 0.00 1.47 -2.22 1.61 -0.02 -1.26 -4.95 135.00 129.62 2kmf n PRO -3 Ca 0.00 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2kmf n PRO -3 Cb 0.00 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 30.96 2kmf n PRO -3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kmf s LEU -2 N -3.42 4.13 0.53 2.45 1.43 -1.26 -4.98 118.68 117.56 2kmf s LEU -2 Ca 0.74 2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 56.04 2kmf s LEU -2 Cb -0.41 -4.07 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2kmf s LEU -2 CO 0.47 -0.81 1.24 -0.83 0.23 0.00 0.00 176.35 176.65 2kmf s GLY -1 N -1.12 2.80 0.17 -3.19 0.00 -1.26 -5.03 107.32 99.70 2kmf s GLY -1 Ca 0.59 1.09 -0.18 0.00 0.00 0.00 0.00 44.72 46.23 2kmf s GLY -1 CO 0.40 1.55 0.50 -1.35 0.00 0.00 0.00 173.10 174.20 2kmf s SER 0 N -1.29 -0.29 -0.80 1.64 1.04 -1.26 -4.88 113.70 107.86 2kmf s SER 0 Ca 0.71 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2kmf s SER 0 Cb -0.33 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2kmf s SER 0 CO 0.39 -0.99 0.00 0.00 0.98 0.00 0.00 173.24 173.61 2kmf h ASP 2 N 0.00 0.63 0.00 0.00 3.32 -2.01 -3.48 116.42 114.89 2kmf h ASP 2 Ca -0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2kmf h ASP 2 Cb 0.53 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2kmf h ASP 2 CO 0.23 0.57 0.00 -0.24 -1.72 0.00 0.00 179.24 178.07 2kmf n SER 3 N -4.63 3.94 -4.63 6.45 2.88 -1.26 -5.14 113.62 111.23 2kmf n SER 3 Ca 0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 2kmf n SER 3 Cb 0.10 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.46 2kmf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kmf s GLY 4 N 0.00 1.95 0.46 0.46 0.00 -1.26 -4.96 107.32 103.97 2kmf s GLY 4 Ca 0.00 -0.95 0.26 0.00 0.00 0.00 0.00 44.72 44.03 2kmf s GLY 4 CO 0.00 0.45 1.85 -0.91 0.00 0.00 0.00 173.10 174.49 2kmf h THR 5 N 5.13 0.43 0.00 0.90 1.35 -1.96 -3.45 112.91 115.32 2kmf h THR 5 Ca -0.37 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2kmf h THR 5 Cb 1.18 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2kmf h THR 5 CO 0.63 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 2kmf n GLY 6 N 0.16 0.20 3.77 5.82 0.00 -1.26 -4.94 105.19 108.93 2kmf n GLY 6 Ca 0.00 0.00 -0.38 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 4.10 0.00 0.99 1.43 -1.26 -4.93 118.68 119.01 2kmf s LEU 7 Ca 0.00 2.53 0.17 0.00 -1.03 0.00 0.00 54.13 55.80 2kmf s LEU 7 Cb 0.00 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 2kmf s LEU 7 CO 0.00 -0.95 0.83 0.35 0.23 0.00 0.00 176.35 176.81 2kmf n THR 8 N -0.21 0.00 0.00 5.49 -2.24 -1.26 -4.96 114.28 111.09 2kmf n THR 8 Ca 0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2kmf n THR 8 Cb 0.45 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.25 0.16 3.56 3.38 0.00 -1.26 -5.05 105.19 107.22 2kmf n GLY 9 Ca 0.06 0.00 -0.42 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 -2.22 6.36 0.59 1.61 6.03 -1.26 -4.92 114.94 121.12 2kmf s ASN 10 Ca 0.00 -0.00 0.29 0.00 -1.03 0.00 0.00 52.86 52.11 2kmf s ASN 10 Cb 0.00 -2.29 1.49 0.00 -3.03 0.00 0.00 41.25 37.41 2kmf s ASN 10 CO 0.00 -0.55 1.91 0.22 -2.03 0.00 0.00 177.10 176.65 2kmf h TYR 11 N 8.50 0.00 0.48 1.54 5.03 -1.97 0.55 116.97 131.11 2kmf h TYR 11 Ca -0.27 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.02 2kmf h TYR 11 Cb 1.12 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.40 2kmf h TYR 11 CO 0.73 0.00 -0.23 1.03 -1.32 0.00 0.00 178.16 178.37 2kmf h SER 12 N 0.00 -0.55 0.68 -2.11 0.87 -1.97 -3.07 113.55 107.40 2kmf h SER 12 Ca 0.21 -0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.57 2kmf h SER 12 Cb 1.13 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 2kmf h SER 12 CO -0.00 -0.13 -0.89 -0.61 -0.53 0.00 0.00 176.83 174.67 2kmf h GLN 13 N -1.16 0.13 -0.65 2.24 4.15 -1.88 -3.29 115.11 114.67 2kmf h GLN 13 Ca -0.07 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.25 2kmf h GLN 13 Cb 0.52 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 2kmf h GLN 13 CO 0.11 0.94 0.36 -0.44 -1.93 0.00 0.00 178.83 177.87 2kmf h ASP 14 N 0.07 0.54 -0.48 -0.69 3.32 -0.04 0.29 116.42 119.43 2kmf h ASP 14 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2kmf h ASP 14 Cb 1.54 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 2kmf h ASP 14 CO 0.13 0.36 0.31 0.74 -1.72 0.00 0.00 179.24 179.05 2kmf h THR 15 N 0.68 1.13 -0.72 0.35 2.02 -1.60 -1.74 112.91 113.03 2kmf h THR 15 Ca 0.29 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 2kmf h THR 15 Cb 0.16 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2kmf h THR 15 CO -0.17 0.13 0.29 0.25 0.37 0.00 0.00 175.52 176.39 2kmf h LEU 16 N 0.64 0.99 -0.11 2.58 5.85 -1.41 -1.31 115.31 122.54 2kmf h LEU 16 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2kmf h LEU 16 Cb -0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2kmf h LEU 16 CO -0.04 0.89 0.01 0.74 -0.34 0.00 0.00 178.44 179.71 2kmf h THR 17 N 1.03 0.95 -0.50 1.05 2.02 0.11 0.41 112.91 117.98 2kmf h THR 17 Ca 0.24 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 2kmf h THR 17 Cb 0.21 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2kmf h THR 17 CO -0.02 0.01 -0.07 1.62 0.37 0.00 0.00 175.52 177.43 2kmf h VAL 18 N 0.06 1.26 -0.16 3.16 3.04 -1.25 -2.04 116.25 120.31 2kmf h VAL 18 Ca 0.05 -1.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 2kmf h VAL 18 Cb 0.05 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 2kmf h VAL 18 CO -0.07 0.41 0.07 0.40 -1.01 0.00 0.00 177.57 177.36 2kmf h ILE 19 N 0.81 1.16 -0.99 3.17 2.04 -0.77 0.64 117.51 123.57 2kmf h ILE 19 Ca 0.14 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2kmf h ILE 19 Cb 0.59 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2kmf h ILE 19 CO 0.04 0.15 0.65 0.00 0.00 0.00 0.00 178.15 178.99 2kmf h ALA 20 N 0.91 1.32 -0.24 1.87 0.00 -0.07 0.26 119.26 123.32 2kmf h ALA 20 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kmf h ALA 20 Cb 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kmf h ALA 20 CO -0.00 0.61 -0.15 1.15 0.00 0.00 0.00 179.25 180.85 2kmf h THR 21 N 1.30 1.31 -0.38 0.00 2.02 -1.12 -2.75 112.91 113.28 2kmf h THR 21 Ca 0.38 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 2kmf h THR 21 Cb -0.08 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2kmf h THR 21 CO -0.10 0.39 -0.04 -0.07 0.37 0.00 0.00 175.52 176.07 2kmf h LEU 22 N 0.23 0.70 -0.14 2.58 3.38 -0.46 -0.49 115.31 121.11 2kmf h LEU 22 Ca 0.05 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2kmf h LEU 22 Cb 0.67 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2kmf h LEU 22 CO 0.04 0.86 0.01 0.03 0.09 0.00 0.00 178.44 179.48 2kmf h ARG 23 N 0.52 0.06 -0.25 1.13 3.08 -0.51 -1.03 114.38 117.38 2kmf h ARG 23 Ca 0.10 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2kmf h ARG 23 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2kmf h ARG 23 CO 0.03 0.04 -0.39 1.05 -1.07 0.00 0.00 179.97 179.63 2kmf h GLU 24 N 0.06 0.57 -0.02 0.04 4.11 -1.49 -1.25 114.58 116.61 2kmf h GLU 24 Ca 0.06 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2kmf h GLU 24 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kmf h GLU 24 CO -0.10 0.87 -0.00 0.00 0.07 0.00 0.00 179.01 179.84 2kmf h ALA 25 N 1.10 0.01 0.00 1.06 0.00 -0.67 -1.04 119.26 119.72 2kmf h ALA 25 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kmf h ALA 25 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kmf h ALA 25 CO 0.08 -0.50 0.00 -0.84 0.00 0.00 0.00 179.25 177.99 2kmf h ILE 26 N 0.00 0.00 -0.54 0.00 3.07 -1.20 -3.04 117.51 115.81 2kmf h ILE 26 Ca 0.01 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2kmf h ILE 26 Cb 0.01 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 2kmf h ILE 26 CO -0.02 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.41 2kmf n ASP 27 N -2.82 2.96 -4.85 2.16 -0.08 -0.47 -4.87 116.55 108.58 2kmf n ASP 27 Ca 0.04 -2.03 -0.32 0.00 -1.51 0.00 0.00 54.79 50.97 2kmf n ASP 27 Cb 0.46 -0.37 -0.03 0.00 2.34 0.00 0.00 41.12 43.51 2kmf n ASP 27 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2kmf s LEU 28 N -1.04 3.67 0.48 -2.67 2.34 -0.44 -4.98 118.68 116.04 2kmf s LEU 28 Ca 0.36 1.48 -0.20 0.00 0.06 0.00 0.00 54.13 55.83 2kmf s LEU 28 Cb 0.19 -4.40 -0.09 0.00 -0.56 0.00 0.00 46.19 41.33 2kmf s LEU 28 CO 0.24 -0.54 1.03 -2.16 -1.06 0.00 0.00 176.35 173.86 2kmf s PRO 29 N -4.01 3.84 0.13 1.48 0.04 -1.26 -4.92 135.00 130.30 2kmf s PRO 29 Ca 0.57 1.35 0.14 0.00 0.04 0.00 0.00 61.00 63.10 2kmf s PRO 29 Cb -0.10 -2.11 0.66 0.00 0.04 0.00 0.00 34.50 32.99 2kmf s PRO 29 CO 0.31 -0.39 1.45 0.00 0.04 0.00 0.00 177.00 178.41 2kmf n GLN 30 N -0.92 0.08 -0.07 4.56 0.00 -1.26 -1.09 117.38 118.68 2kmf n GLN 30 Ca 0.09 0.43 0.12 0.00 0.00 0.00 0.00 57.00 57.64 2kmf n GLN 30 Cb 0.53 -1.68 0.35 0.00 0.00 0.00 0.00 30.24 29.43 2kmf n GLN 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2kmf n ASP 31 N -1.83 2.13 -4.69 2.61 5.68 -1.26 -4.91 116.55 114.28 2kmf n ASP 31 Ca 0.01 -1.74 -0.42 0.00 -0.50 0.00 0.00 54.79 52.14 2kmf n ASP 31 Cb 0.12 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 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 -1.83 3.62 -0.16 2.12 0.00 -0.25 -4.90 121.76 120.36 2kmf s ALA 32 Ca 0.34 0.99 0.29 0.00 0.00 0.00 0.00 51.96 53.58 2kmf s ALA 32 Cb 0.20 -3.64 0.99 0.00 0.00 0.00 0.00 23.12 20.67 2kmf s ALA 32 CO 0.30 -1.01 1.84 -1.00 0.00 0.00 0.00 175.76 175.89 2kmf h PRO 33 N 8.09 0.00 -0.69 0.00 0.13 -1.91 -2.92 132.00 134.70 2kmf h PRO 33 Ca -0.39 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2kmf h PRO 33 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2kmf h PRO 33 CO 0.92 0.00 0.07 0.27 -0.23 0.00 0.00 178.00 179.02 2kmf n ASN 34 N -2.97 4.86 -0.24 1.44 2.04 -1.26 -4.43 115.26 114.70 2kmf n ASN 34 Ca 0.02 -2.86 -0.06 0.00 -0.44 0.00 0.00 54.58 51.25 2kmf n ASN 34 Cb 0.37 -0.67 0.05 0.00 -2.53 0.00 0.00 39.78 37.00 2kmf n ASN 34 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2kmf h ARG 35 N 3.09 0.91 -0.11 -3.83 2.43 -1.88 -1.83 114.38 113.15 2kmf h ARG 35 Ca 0.06 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2kmf h ARG 35 Cb 1.86 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 2kmf h ARG 35 CO 0.48 0.63 -0.41 0.37 -1.51 0.00 0.00 179.97 179.54 2kmf h GLN 36 N 0.92 0.23 -0.13 0.20 5.75 -1.86 -2.96 115.11 117.25 2kmf h GLN 36 Ca 0.24 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2kmf h GLN 36 Cb -0.05 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 2kmf h GLN 36 CO -0.05 0.61 0.02 0.93 -2.65 0.00 0.00 178.83 177.69 2kmf h GLU 37 N 0.20 0.22 -0.21 1.69 5.08 -1.68 -2.59 114.58 117.27 2kmf h GLU 37 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2kmf h GLU 37 Cb 0.81 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kmf h GLU 37 CO 0.06 0.40 0.05 -0.39 -1.00 0.00 0.00 179.01 178.13 2kmf h VAL 38 N 0.00 1.11 -0.00 3.13 -1.51 -1.34 0.26 116.25 117.89 2kmf h VAL 38 Ca 0.04 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2kmf h VAL 38 Cb 0.28 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2kmf h VAL 38 CO 0.00 0.13 0.00 1.56 -1.23 0.00 0.00 177.57 178.04 2kmf h GLN 39 N 0.30 0.01 -0.26 5.19 4.20 -1.33 0.42 115.11 123.64 2kmf h GLN 39 Ca 0.07 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 2kmf h GLN 39 Cb 0.12 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kmf h GLN 39 CO -0.00 0.14 -0.28 0.22 -0.67 0.00 0.00 178.83 178.23 2kmf h ASP 40 N -0.12 0.69 -0.35 1.46 1.82 -1.07 -1.74 116.42 117.11 2kmf h ASP 40 Ca 0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 57.03 56.16 2kmf h ASP 40 Cb 0.13 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2kmf h ASP 40 CO -0.00 1.04 0.21 0.74 -1.61 0.00 0.00 179.24 179.61 2kmf h THR 41 N 0.36 1.12 -0.33 2.25 2.02 -0.42 -2.24 112.91 115.68 2kmf h THR 41 Ca 0.04 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2kmf h THR 41 Cb 0.85 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2kmf h THR 41 CO 0.07 0.12 0.17 0.00 0.37 0.00 0.00 175.52 176.25 2kmf h ALA 42 N 1.08 0.43 -0.91 6.16 0.00 -0.15 -2.32 119.26 123.55 2kmf h ALA 42 Ca 0.12 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2kmf h ALA 42 Cb 0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 2kmf h ALA 42 CO -0.02 -0.03 0.51 -0.09 0.00 0.00 0.00 179.25 179.62 2kmf h ARG 43 N 0.41 0.68 -0.64 0.00 2.43 -1.09 0.19 114.38 116.36 2kmf h ARG 43 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2kmf h ARG 43 Cb 0.09 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2kmf h ARG 43 CO -0.02 0.45 0.38 0.78 -1.51 0.00 0.00 179.97 180.05 2kmf h GLY 44 N 0.70 0.94 1.00 2.80 0.00 -0.89 -0.62 103.07 107.01 2kmf h GLY 44 Ca 0.50 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2kmf h GLY 44 CO -0.36 0.39 0.20 1.46 0.00 0.00 0.00 176.54 178.23 2kmf h GLN 45 N 0.87 0.91 0.41 4.80 1.08 -0.30 0.21 115.11 123.09 2kmf h GLN 45 Ca 0.23 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2kmf h GLN 45 Cb -0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2kmf h GLN 45 CO -0.04 0.81 -0.20 0.82 -0.95 0.00 0.00 178.83 179.27 2kmf h ILE 46 N 0.83 0.60 -0.43 2.54 2.04 -0.39 0.35 117.51 123.05 2kmf h ILE 46 Ca 0.19 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2kmf h ILE 46 Cb 0.27 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2kmf h ILE 46 CO -0.01 0.02 0.11 0.78 0.00 0.00 0.00 178.15 179.05 2kmf h ASN 47 N -0.59 0.65 -0.67 1.72 -0.26 -1.06 -2.88 115.58 112.48 2kmf h ASN 47 Ca -0.06 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.40 2kmf h ASN 47 Cb 0.45 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 2kmf h ASN 47 CO 0.09 0.70 0.18 0.44 -1.06 0.00 0.00 177.43 177.79 2kmf h ASP 48 N 0.56 1.00 0.53 5.81 3.32 -0.52 0.64 116.42 127.76 2kmf h ASP 48 Ca 0.14 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2kmf h ASP 48 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2kmf h ASP 48 CO 0.00 0.96 -0.43 0.22 -1.72 0.00 0.00 179.24 178.27 2kmf h TYR 49 N 0.98 -1.17 -0.25 4.55 3.20 -0.17 -1.11 116.97 123.01 2kmf h TYR 49 Ca 0.21 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 2kmf h TYR 49 Cb 0.34 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kmf h TYR 49 CO 0.03 -0.60 -0.38 -0.84 -1.64 0.00 0.00 178.16 174.73 2kmf h ILE 50 N -0.93 1.30 -0.26 1.81 3.07 -1.55 -2.23 117.51 118.72 2kmf h ILE 50 Ca -0.07 -1.53 0.03 0.00 1.55 0.00 0.00 64.86 64.84 2kmf h ILE 50 Cb 0.78 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 38.82 2kmf h ILE 50 CO 0.01 0.48 0.09 -1.28 -1.05 0.00 0.00 178.15 176.40 2kmf h SER 51 N 0.47 0.11 0.81 2.16 0.87 -0.75 1.83 113.55 119.05 2kmf h SER 51 Ca 0.04 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 2kmf h SER 51 Cb 0.87 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2kmf h SER 51 CO 0.07 0.10 -0.79 0.08 -0.53 0.00 0.00 176.83 175.76 2kmf h ARG 52 N 0.21 0.00 -0.58 2.24 0.11 -1.22 -3.11 114.38 112.04 2kmf h ARG 52 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2kmf h ARG 52 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2kmf h ARG 52 CO -0.11 0.79 0.00 0.66 0.10 0.00 0.00 179.97 181.41 2kmf n TYR 53 N -3.58 1.60 -0.18 4.08 4.01 -0.84 -4.46 117.16 117.78 2kmf n TYR 53 Ca -0.01 -0.67 -0.09 0.00 -0.16 0.00 0.00 57.90 56.97 2kmf n TYR 53 Cb 0.77 -0.33 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 3.77 0.85 -0.02 -0.72 9.65 0.29 -2.47 114.38 125.73 2kmf h ARG 54 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2kmf h ARG 54 Cb 1.60 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 2kmf h ARG 54 CO 0.31 0.84 0.00 0.54 2.80 0.00 0.00 179.97 184.46 2kmf n ARG 55 N -4.39 1.34 -0.12 0.20 1.74 -1.26 -2.55 116.66 111.62 2kmf n ARG 55 Ca 0.01 -0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 56.51 2kmf n ARG 55 Cb 0.26 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.18 0.53 0.00 5.56 3.64 -1.71 -3.43 116.57 122.34 2kmf h LYS 56 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2kmf h LYS 56 Cb 0.25 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2kmf h LYS 56 CO 0.00 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 2kmf n GLY 57 N -0.94 0.32 2.14 5.01 0.00 -1.25 -4.98 105.19 105.48 2kmf n GLY 57 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.58 -0.38 1.61 5.68 -1.06 -4.38 116.55 116.44 2kmf n ASP 58 Ca 0.00 0.32 0.05 0.00 -0.50 0.00 0.00 54.79 54.66 2kmf n ASP 58 Cb 0.11 -1.54 -0.02 0.00 -1.14 0.00 0.00 41.12 38.53 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 -1.91 -0.99 -0.10 2.12 0.00 -1.26 -4.97 120.51 113.40 2kmf n ALA 59 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kmf n ALA 59 Cb 0.41 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.93 0.63 0.42 0.00 0.00 -1.26 -4.84 105.19 97.21 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 -2.02 0.00 3.55 -0.02 0.00 -1.26 -5.07 105.19 100.37 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 -3.64 3.62 0.12 0.99 1.02 -1.26 -4.99 118.68 114.55 2kmf s LEU 62 Ca 0.00 -0.05 -0.16 0.00 0.02 0.00 0.00 54.13 53.94 2kmf s LEU 62 Cb 0.00 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2kmf s LEU 62 CO 0.00 0.08 1.61 0.50 0.02 0.00 0.00 176.35 178.57 2kmf h LYS 63 N 7.35 0.60 -0.20 1.70 3.64 -1.96 -0.62 116.57 127.07 2kmf h LYS 63 Ca -0.36 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2kmf h LYS 63 Cb 1.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2kmf h LYS 63 CO 0.64 0.64 0.11 1.03 -2.27 0.00 0.00 179.45 179.61 2kmf h SER 64 N 0.45 0.25 -0.26 4.20 0.87 -1.88 0.33 113.55 117.50 2kmf h SER 64 Ca 0.11 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2kmf h SER 64 Cb 0.32 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2kmf h SER 64 CO 0.00 0.25 0.10 0.15 -0.53 0.00 0.00 176.83 176.80 2kmf h PHE 65 N 0.23 0.41 -0.18 2.24 3.57 -1.93 0.35 116.94 121.61 2kmf h PHE 65 Ca 0.07 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2kmf h PHE 65 Cb 0.05 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2kmf h PHE 65 CO -0.04 0.43 0.06 1.15 -2.23 0.00 0.00 178.31 177.67 2kmf h THR 66 N 0.27 1.19 -0.31 4.41 2.02 -0.98 0.23 112.91 119.73 2kmf h THR 66 Ca 0.09 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2kmf h THR 66 Cb 0.20 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2kmf h THR 66 CO -0.01 0.18 0.11 0.74 0.37 0.00 0.00 175.52 176.92 2kmf h THR 67 N 0.12 1.19 -0.63 3.16 2.02 -0.27 -2.92 112.91 115.59 2kmf h THR 67 Ca 0.06 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2kmf h THR 67 Cb 0.23 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2kmf h THR 67 CO -0.00 0.21 0.21 0.24 0.37 0.00 0.00 175.52 176.55 2kmf h MET 68 N 0.36 0.96 -0.28 6.66 2.07 -0.22 0.55 114.93 125.02 2kmf h MET 68 Ca 0.10 -0.20 0.06 0.00 -2.07 0.00 0.00 59.70 57.59 2kmf h MET 68 Cb 0.21 -0.14 -0.08 0.00 -1.87 0.00 0.00 31.60 29.72 2kmf h MET 68 CO -0.01 0.84 -0.44 0.37 1.07 0.00 0.00 176.91 178.74 2kmf h GLN 69 N 0.89 -0.40 -0.23 1.72 4.15 -0.35 0.52 115.11 121.42 2kmf h GLN 69 Ca 0.20 0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 2kmf h GLN 69 Cb 0.26 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kmf h GLN 69 CO -0.01 -0.26 -0.26 1.15 -1.93 0.00 0.00 178.83 177.52 2kmf h THR 70 N -0.41 1.32 0.00 2.39 2.02 -1.44 -2.14 112.91 114.65 2kmf h THR 70 Ca 0.10 -1.44 0.02 0.00 0.77 0.00 0.00 66.41 65.86 2kmf h THR 70 Cb 0.61 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2kmf h THR 70 CO -0.50 0.45 -0.09 0.00 0.37 0.00 0.00 175.52 175.75 2kmf h ALA 71 N 0.66 -0.10 -0.68 6.16 0.00 -0.36 0.27 119.26 125.20 2kmf h ALA 71 Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 71 Cb 0.83 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2kmf h ALA 71 CO 0.06 -0.58 0.20 -0.07 0.00 0.00 0.00 179.25 178.86 2kmf h LEU 72 N -0.16 1.00 -0.97 0.00 4.07 -0.04 -2.62 115.31 116.60 2kmf h LEU 72 Ca 0.03 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 2kmf h LEU 72 Cb 0.20 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 2kmf h LEU 72 CO -0.09 0.94 0.08 0.78 -1.08 0.00 0.00 178.44 179.08 2kmf h ASN 73 N 0.99 0.78 0.49 -0.43 2.35 -1.05 0.20 115.58 118.92 2kmf h ASN 73 Ca 0.22 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2kmf h ASN 73 Cb 0.31 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2kmf h ASN 73 CO -0.01 0.80 -0.26 0.28 -1.65 0.00 0.00 177.43 176.60 2kmf h SER 74 N 0.79 -0.62 0.89 5.81 0.02 -0.11 -2.61 113.55 117.72 2kmf h SER 74 Ca 0.17 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2kmf h SER 74 Cb 0.36 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2kmf h SER 74 CO 0.01 -0.43 -0.48 0.17 -1.14 0.00 0.00 176.83 174.96 2kmf h LEU 75 N -0.69 0.00 -1.35 5.07 8.10 -1.48 -3.02 115.31 121.94 2kmf h LEU 75 Ca -0.06 0.00 0.04 0.00 0.11 0.00 0.00 57.88 57.96 2kmf h LEU 75 Cb 0.54 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.72 2kmf h LEU 75 CO 0.09 0.48 0.47 0.00 -4.11 0.00 0.00 178.44 175.37 2kmf h ALA 76 N 1.52 1.60 0.00 0.17 0.00 -0.77 -0.86 119.26 120.92 2kmf h ALA 76 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2kmf h ALA 76 Cb 1.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2kmf h ALA 76 CO 0.06 0.32 -0.62 0.78 0.00 0.00 0.00 179.25 179.79 2kmf h GLY 77 N 0.85 0.00 1.01 0.00 0.00 -1.34 -3.21 103.07 100.38 2kmf h GLY 77 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2kmf h GLY 77 CO -0.08 0.00 0.44 -0.97 0.00 0.00 0.00 176.54 175.93 2kmf h TYR 78 N 0.00 1.04 -0.14 5.60 -1.99 -1.15 1.17 116.97 121.50 2kmf h TYR 78 Ca -0.01 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2kmf h TYR 78 Cb 1.17 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 39.55 2kmf h TYR 78 CO 0.00 0.72 0.07 1.88 -0.00 0.00 0.00 178.16 180.83 2kmf h TYR 79 N 1.06 0.20 0.08 4.88 0.05 -1.52 -1.75 116.97 119.98 2kmf h TYR 79 Ca 0.27 -0.01 -0.25 0.00 0.05 0.00 0.00 58.73 58.80 2kmf h TYR 79 Cb 0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2kmf h TYR 79 CO -0.00 0.22 -1.13 0.00 -1.05 0.00 0.00 178.16 176.20 2kmf h THR 80 N 0.12 1.55 -0.64 -2.88 1.03 -1.58 1.36 112.91 111.87 2kmf h THR 80 Ca 0.05 -3.09 -0.00 0.00 -0.01 0.00 0.00 66.41 63.36 2kmf h THR 80 Cb 0.09 2.85 -0.03 0.00 -1.07 0.00 0.00 68.15 69.99 2kmf h THR 80 CO -0.01 0.90 0.40 0.28 -0.01 0.00 0.00 175.52 177.08 2kmf h SER 81 N 0.06 0.76 0.00 0.00 0.02 0.15 -3.23 113.55 111.31 2kmf h SER 81 Ca -0.09 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2kmf h SER 81 Cb 1.86 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 2kmf h SER 81 CO 0.18 0.59 -1.79 -1.22 -1.14 0.00 0.00 176.83 173.44 2kmf n TYR 82 N -4.60 0.00 -0.56 3.45 4.01 -0.66 -5.06 117.16 113.74 2kmf n TYR 82 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2kmf n TYR 82 Cb 0.05 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 1.71 0.73 1.91 2.72 0.00 0.47 -4.33 105.19 108.41 2kmf n GLY 83 Ca -0.08 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 4.80 4.52 -3.19 4.61 0.00 -1.26 -4.54 120.51 125.45 2kmf n ALA 84 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 53.44 52.22 2kmf n ALA 84 Cb 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 2kmf n ALA 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kmf s ARG 85 N 1.05 3.56 0.40 0.00 6.06 -1.26 -5.06 118.95 123.71 2kmf s ARG 85 Ca 0.32 -0.54 -0.26 0.00 -2.50 0.00 0.00 55.73 52.75 2kmf s ARG 85 Cb 0.15 -3.09 -0.08 0.00 0.06 0.00 0.00 34.95 31.98 2kmf s ARG 85 CO 0.00 -0.07 1.25 -1.25 -2.50 0.00 0.00 175.30 172.73 2kmf s PRO 86 N 1.20 3.99 0.28 5.12 0.04 -1.26 -4.82 135.00 139.56 2kmf s PRO 86 Ca 0.03 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2kmf s PRO 86 Cb -0.15 -2.72 -0.11 0.00 0.04 0.00 0.00 34.50 31.57 2kmf s PRO 86 CO 0.01 -0.43 1.47 0.42 0.04 0.00 0.00 177.00 178.51 2kmf s ILE 87 N -1.32 2.45 0.79 0.56 1.01 -1.26 -4.98 121.20 118.45 2kmf s ILE 87 Ca 0.57 0.39 -0.11 0.00 0.00 0.00 0.00 60.65 61.50 2kmf s ILE 87 Cb -0.35 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 38.94 2kmf s ILE 87 CO 0.45 0.07 1.12 -2.16 0.00 0.00 0.00 174.94 174.41 2kmf s PRO 88 N -0.75 2.02 0.35 2.79 0.04 -1.26 -4.83 135.00 133.36 2kmf s PRO 88 Ca 0.58 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2kmf s PRO 88 Cb -0.44 -1.86 0.64 0.00 0.04 0.00 0.00 34.50 32.88 2kmf s PRO 88 CO 0.48 -1.85 1.93 0.93 0.04 0.00 0.00 177.00 178.53 2kmf h GLU 89 N -1.09 0.62 -0.01 4.56 5.08 -1.95 -1.51 114.58 120.28 2kmf h GLU 89 Ca -0.44 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2kmf h GLU 89 Cb 1.25 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2kmf h GLU 89 CO 0.49 0.54 -0.21 0.87 -1.00 0.00 0.00 179.01 179.69 2kmf h LYS 90 N 0.61 -0.32 -0.44 2.33 1.57 -2.02 -2.34 116.57 115.96 2kmf h LYS 90 Ca 0.15 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2kmf h LYS 90 Cb 0.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2kmf h LYS 90 CO -0.01 -0.21 -0.04 1.25 -0.57 0.00 0.00 179.45 179.86 2kmf h LEU 91 N -0.33 0.81 -0.97 2.94 5.85 -1.89 -3.03 115.31 118.68 2kmf h LEU 91 Ca 0.06 -0.33 0.31 0.00 0.84 0.00 0.00 57.88 58.76 2kmf h LEU 91 Cb 0.42 -0.22 -0.15 0.00 0.37 0.00 0.00 40.66 41.08 2kmf h LEU 91 CO -0.20 0.95 0.47 0.50 -0.34 0.00 0.00 178.44 179.81 2kmf h LYS 92 N 0.65 0.25 -0.72 1.25 3.64 -0.81 0.61 116.57 121.44 2kmf h LYS 92 Ca 0.12 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kmf h LYS 92 Cb 0.56 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2kmf h LYS 92 CO 0.03 0.17 0.47 0.87 -2.27 0.00 0.00 179.45 178.72 2kmf h LYS 93 N 0.26 0.96 -0.32 1.90 1.57 -1.30 0.18 116.57 119.81 2kmf h LYS 93 Ca 0.70 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.38 2kmf h LYS 93 Cb 1.58 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2kmf h LYS 93 CO -0.64 0.64 0.04 0.00 -0.57 0.00 0.00 179.45 178.92 2kmf h ARG 94 N 0.98 0.54 -0.61 3.15 3.08 0.08 -2.90 114.38 118.70 2kmf h ARG 94 Ca 0.26 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2kmf h ARG 94 Cb -0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2kmf h ARG 94 CO -0.06 0.63 0.09 -0.07 -1.07 0.00 0.00 179.97 179.50 2kmf h LEU 95 N 0.36 0.98 -0.75 3.04 -0.00 -0.92 -2.44 115.31 115.58 2kmf h LEU 95 Ca 0.10 -0.27 0.11 0.00 -0.00 0.00 0.00 57.88 57.82 2kmf h LEU 95 Cb 0.36 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.68 2kmf h LEU 95 CO 0.01 1.00 0.38 1.56 -0.00 0.00 0.00 178.44 181.38 2kmf h GLN 96 N 0.93 0.59 -0.50 1.13 1.08 -0.58 -0.75 115.11 117.01 2kmf h GLN 96 Ca 0.18 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 2kmf h GLN 96 Cb 0.44 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2kmf h GLN 96 CO 0.01 0.39 -0.00 1.25 -0.95 0.00 0.00 178.83 179.53 2kmf h LEU 97 N 0.61 0.87 -0.50 1.46 5.85 -1.30 -1.95 115.31 120.34 2kmf h LEU 97 Ca 0.38 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2kmf h LEU 97 Cb 0.45 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2kmf h LEU 97 CO -0.30 0.96 0.16 -0.33 -0.34 0.00 0.00 178.44 178.60 2kmf h GLU 98 N 0.75 0.32 -0.30 1.25 4.39 -0.69 -0.27 114.58 120.02 2kmf h GLU 98 Ca 0.14 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 2kmf h GLU 98 Cb 0.52 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kmf h GLU 98 CO 0.03 0.21 -0.29 0.74 -1.16 0.00 0.00 179.01 178.54 2kmf h PHE 99 N 0.33 0.71 -0.66 4.33 0.04 -1.19 -1.57 116.94 118.92 2kmf h PHE 99 Ca 0.24 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2kmf h PHE 99 Cb 0.28 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2kmf h PHE 99 CO -0.18 0.84 0.42 1.15 -0.60 0.00 0.00 178.31 179.94 2kmf h THR 100 N 0.53 1.18 -0.20 -1.55 2.02 -0.45 0.82 112.91 115.27 2kmf h THR 100 Ca 0.07 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2kmf h THR 100 Cb 0.77 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2kmf h THR 100 CO 0.06 0.18 -0.39 1.56 0.37 0.00 0.00 175.52 177.30 2kmf h GLN 101 N 0.90 0.45 0.14 6.66 4.20 -0.91 -1.44 115.11 125.10 2kmf h GLN 101 Ca 0.24 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2kmf h GLN 101 Cb -0.07 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2kmf h GLN 101 CO -0.05 0.77 -0.07 0.00 -0.67 0.00 0.00 178.83 178.81 2kmf h ALA 102 N 1.21 -0.19 -0.44 3.87 0.00 -0.52 -0.52 119.26 122.67 2kmf h ALA 102 Ca 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2kmf h ALA 102 Cb 0.85 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kmf h ALA 102 CO 0.07 -0.39 0.11 1.05 0.00 0.00 0.00 179.25 180.09 2kmf h GLU 103 N -0.63 0.66 -0.50 0.00 4.11 -0.90 -1.84 114.58 115.48 2kmf h GLU 103 Ca -0.02 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 2kmf h GLU 103 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kmf h GLU 103 CO 0.03 0.60 -0.07 0.00 0.07 0.00 0.00 179.01 179.64 2kmf h ARG 104 N 0.64 0.89 0.00 1.06 2.47 -1.23 -2.64 114.38 115.58 2kmf h ARG 104 Ca 0.15 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.53 2kmf h ARG 104 Cb 0.24 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2kmf h ARG 104 CO -0.00 0.93 -0.23 0.77 0.56 0.00 0.00 179.97 182.00 2kmf h SER 105 N 0.81 0.00 -0.63 7.04 0.02 -0.37 -3.01 113.55 117.40 2kmf h SER 105 Ca 0.14 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 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 0.23 0.41 0.40 -1.14 0.00 0.00 176.83 176.77 2kmf h ILE 106 N 0.00 1.17 -0.72 3.27 1.08 -0.97 -0.77 117.51 120.57 2kmf h ILE 106 Ca -0.00 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2kmf h ILE 106 Cb 0.64 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 2kmf h ILE 106 CO 0.03 0.16 0.24 -0.33 -0.69 0.00 0.00 178.15 177.56 2kmf h GLU 107 N 0.86 1.11 0.00 2.37 4.39 -1.59 -1.56 114.58 120.16 2kmf h GLU 107 Ca 0.23 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kmf h GLU 107 Cb -0.09 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2kmf h GLU 107 CO -0.05 0.95 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.62 2kmf h ARG 108 N 1.06 0.00 -3.59 2.33 2.43 -1.40 -3.46 114.38 111.75 2kmf h ARG 108 Ca 0.23 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.04 2kmf h ARG 108 Cb 0.29 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2kmf h ARG 108 CO -0.01 0.04 -0.52 0.41 -1.51 0.00 0.00 179.97 178.38 2kmf n GLY 109 N -0.48 -0.38 0.00 2.80 0.00 -0.35 -5.11 105.19 101.66 2kmf n GLY 109 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65