#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmf s PRO -3 N 0.00 3.11 0.48 1.61 0.02 -1.26 -4.97 135.00 133.99 2kmf s PRO -3 Ca 0.00 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 2kmf s PRO -3 Cb 0.00 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 2kmf s PRO -3 CO 0.00 -1.22 1.11 -0.51 -0.33 0.00 0.00 177.00 176.06 2kmf s LEU -2 N -3.56 3.92 0.00 -5.54 1.43 -1.26 -3.26 118.68 110.41 2kmf s LEU -2 Ca 0.72 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 2kmf s LEU -2 Cb -0.41 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.42 2kmf s LEU -2 CO 0.48 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.76 2kmf n GLY -1 N 0.21 0.53 3.79 -3.19 0.00 -1.26 -5.03 105.19 100.23 2kmf n GLY -1 Ca 0.09 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2kmf n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmf s SER 0 N -2.38 6.25 -0.16 1.61 0.01 -1.20 -4.33 113.70 113.49 2kmf s SER 0 Ca 0.00 2.05 -0.13 0.00 1.31 0.00 0.00 55.95 59.19 2kmf s SER 0 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2kmf s SER 0 CO 0.00 -0.85 0.22 0.00 0.41 0.00 0.00 173.24 173.02 2kmf n ASP 2 N 0.78 0.23 -4.75 0.00 8.00 -1.26 -4.87 116.55 114.67 2kmf n ASP 2 Ca -0.03 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 2kmf n ASP 2 Cb 0.54 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 2kmf n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kmf n SER 3 N -0.94 3.79 0.00 -2.24 7.64 -1.26 -4.99 113.62 115.63 2kmf n SER 3 Ca 0.20 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2kmf n SER 3 Cb 0.19 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 2kmf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kmf n GLY 4 N 1.70 -2.54 0.23 0.23 0.00 -1.26 -4.47 105.19 99.08 2kmf n GLY 4 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 1.19 0.00 2.61 1.35 -1.94 -3.45 112.91 112.67 2kmf h THR 5 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2kmf h THR 5 Cb 0.00 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2kmf h THR 5 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 2kmf n GLY 6 N -0.82 0.22 3.77 5.82 0.00 -1.26 -4.96 105.19 107.96 2kmf n GLY 6 Ca -0.01 0.00 -0.38 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 4.10 0.00 0.99 1.43 -1.26 -4.93 118.68 119.00 2kmf s LEU 7 Ca 0.00 2.54 0.17 0.00 -1.03 0.00 0.00 54.13 55.82 2kmf s LEU 7 Cb 0.00 -4.07 -0.08 0.00 0.03 0.00 0.00 46.19 42.08 2kmf s LEU 7 CO 0.00 -0.97 0.83 0.35 0.23 0.00 0.00 176.35 176.80 2kmf n THR 8 N -0.23 0.00 -0.03 5.49 -2.24 -1.26 -4.41 114.28 111.60 2kmf n THR 8 Ca 0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kmf n THR 8 Cb 0.45 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.45 3.50 3.38 0.00 -1.26 -5.05 105.19 107.50 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 -2.83 6.15 0.60 1.61 6.03 -1.26 -4.93 114.94 120.31 2kmf s ASN 10 Ca 0.00 -0.56 0.28 0.00 -1.03 0.00 0.00 52.86 51.55 2kmf s ASN 10 Cb 0.00 -2.19 1.40 0.00 -3.03 0.00 0.00 41.25 37.43 2kmf s ASN 10 CO 0.00 -0.43 1.80 0.22 -2.03 0.00 0.00 177.10 176.66 2kmf h TYR 11 N 8.59 0.00 0.48 1.54 5.03 -1.97 0.57 116.97 131.22 2kmf h TYR 11 Ca -0.28 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.00 2kmf h TYR 11 Cb 1.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.41 2kmf h TYR 11 CO 0.63 0.00 -0.23 1.03 -1.32 0.00 0.00 178.16 178.27 2kmf h SER 12 N 0.00 -0.55 0.71 -2.11 0.87 -1.96 -3.11 113.55 107.40 2kmf h SER 12 Ca 0.22 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 2kmf h SER 12 Cb 1.35 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 2kmf h SER 12 CO -0.00 -0.16 -0.92 -0.61 -0.53 0.00 0.00 176.83 174.60 2kmf h GLN 13 N -1.10 0.12 -0.69 2.24 4.15 -1.84 -3.29 115.11 114.70 2kmf h GLN 13 Ca -0.07 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.27 2kmf h GLN 13 Cb 0.50 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 2kmf h GLN 13 CO 0.11 0.95 0.38 -0.44 -1.93 0.00 0.00 178.83 177.90 2kmf h ASP 14 N 0.06 0.56 -0.53 -0.69 3.32 -0.01 0.36 116.42 119.49 2kmf h ASP 14 Ca -0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmf h ASP 14 Cb 1.58 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.03 2kmf h ASP 14 CO 0.13 0.35 0.35 0.74 -1.72 0.00 0.00 179.24 179.09 2kmf h THR 15 N 0.69 1.14 -0.68 0.35 2.02 -1.61 -1.63 112.91 113.19 2kmf h THR 15 Ca 0.32 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 2kmf h THR 15 Cb 0.23 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2kmf h THR 15 CO -0.20 0.14 0.16 0.25 0.37 0.00 0.00 175.52 176.24 2kmf h LEU 16 N 0.72 1.03 -0.09 2.58 5.85 -1.37 -1.60 115.31 122.43 2kmf h LEU 16 Ca 0.19 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kmf h LEU 16 Cb -0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 2kmf h LEU 16 CO -0.04 1.00 0.03 0.74 -0.34 0.00 0.00 178.44 179.83 2kmf h THR 17 N 1.01 0.98 -0.52 1.05 2.02 0.27 0.48 112.91 118.20 2kmf h THR 17 Ca 0.21 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 2kmf h THR 17 Cb 0.38 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2kmf h THR 17 CO 0.00 0.01 -0.04 1.62 0.37 0.00 0.00 175.52 177.48 2kmf h VAL 18 N 0.07 1.26 -0.19 3.16 3.04 -1.27 -2.10 116.25 120.22 2kmf h VAL 18 Ca 0.04 -1.14 -0.02 0.00 -1.01 0.00 0.00 66.70 64.57 2kmf h VAL 18 Cb 0.02 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2kmf h VAL 18 CO -0.04 0.40 0.06 0.40 -1.01 0.00 0.00 177.57 177.38 2kmf h ILE 19 N 0.84 1.19 -0.85 3.17 2.04 -0.86 0.18 117.51 123.21 2kmf h ILE 19 Ca 0.15 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.45 2kmf h ILE 19 Cb 0.56 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 2kmf h ILE 19 CO 0.03 0.19 0.54 0.00 0.00 0.00 0.00 178.15 178.91 2kmf h ALA 20 N 0.88 1.13 -0.29 1.87 0.00 0.08 0.33 119.26 123.26 2kmf h ALA 20 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2kmf h ALA 20 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kmf h ALA 20 CO -0.00 0.35 -0.20 1.15 0.00 0.00 0.00 179.25 180.55 2kmf h THR 21 N 1.03 1.30 -0.40 0.00 2.02 -1.18 -2.76 112.91 112.92 2kmf h THR 21 Ca 0.35 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 2kmf h THR 21 Cb 0.05 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2kmf h THR 21 CO -0.13 0.43 0.09 -0.07 0.37 0.00 0.00 175.52 176.20 2kmf h LEU 22 N 0.40 0.62 -0.10 2.58 3.38 -0.04 0.16 115.31 122.29 2kmf h LEU 22 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kmf h LEU 22 Cb 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kmf h LEU 22 CO 0.05 0.70 0.06 0.03 0.09 0.00 0.00 178.44 179.37 2kmf h ARG 23 N 0.51 0.12 -0.18 1.13 3.08 -0.37 -1.19 114.38 117.48 2kmf h ARG 23 Ca 0.12 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 2kmf h ARG 23 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2kmf h ARG 23 CO 0.00 0.08 -0.39 1.05 -1.07 0.00 0.00 179.97 179.64 2kmf h GLU 24 N 0.13 0.41 -0.09 0.04 4.11 -1.47 -1.44 114.58 116.26 2kmf h GLU 24 Ca 0.04 -0.19 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 2kmf h GLU 24 Cb -0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2kmf h GLU 24 CO -0.02 0.74 0.05 0.00 0.07 0.00 0.00 179.01 179.85 2kmf h ALA 25 N 1.25 0.11 0.00 1.06 0.00 -0.58 -2.11 119.26 118.98 2kmf h ALA 25 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 25 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kmf h ALA 25 CO 0.07 -0.35 0.00 -0.84 0.00 0.00 0.00 179.25 178.12 2kmf h ILE 26 N 0.05 0.00 -0.16 0.00 3.07 -1.20 -2.99 117.51 116.28 2kmf h ILE 26 Ca 0.03 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2kmf h ILE 26 Cb 0.07 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2kmf h ILE 26 CO -0.01 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.42 2kmf n ASP 27 N -2.61 1.65 -4.83 2.16 2.03 -0.55 -4.91 116.55 109.50 2kmf n ASP 27 Ca 0.04 -1.70 -0.33 0.00 0.52 0.00 0.00 54.79 53.32 2kmf n ASP 27 Cb 0.44 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.57 3.79 0.50 -2.67 2.34 -0.83 -5.01 118.68 115.22 2kmf s LEU 28 Ca 0.32 1.64 -0.20 0.00 0.06 0.00 0.00 54.13 55.95 2kmf s LEU 28 Cb 0.17 -4.53 -0.08 0.00 -0.56 0.00 0.00 46.19 41.20 2kmf s LEU 28 CO 0.26 -0.47 1.07 -2.16 -1.06 0.00 0.00 176.35 173.99 2kmf s PRO 29 N -3.59 3.69 0.25 1.48 0.04 -1.26 -4.91 135.00 130.70 2kmf s PRO 29 Ca 0.61 1.47 0.19 0.00 0.04 0.00 0.00 61.00 63.32 2kmf s PRO 29 Cb -0.10 -2.12 0.95 0.00 0.04 0.00 0.00 34.50 33.28 2kmf s PRO 29 CO 0.22 -0.54 1.59 1.04 0.04 0.00 0.00 177.00 179.34 2kmf n GLN 30 N -0.97 0.13 -0.11 4.56 3.00 -1.26 -0.71 117.38 122.02 2kmf n GLN 30 Ca 0.10 0.54 0.11 0.00 -0.01 0.00 0.00 57.00 57.73 2kmf n GLN 30 Cb 0.52 -1.86 0.32 0.00 0.00 0.00 0.00 30.24 29.21 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 -2.13 2.26 -4.70 1.08 5.68 -1.26 -4.92 116.55 112.56 2kmf n ASP 31 Ca 0.00 -1.81 -0.42 0.00 -0.50 0.00 0.00 54.79 52.06 2kmf n ASP 31 Cb 0.10 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.72 3.68 -0.39 2.12 0.00 0.11 -4.90 121.76 120.66 2kmf s ALA 32 Ca 0.34 1.18 0.27 0.00 0.00 0.00 0.00 51.96 53.75 2kmf s ALA 32 Cb 0.19 -3.65 0.94 0.00 0.00 0.00 0.00 23.12 20.60 2kmf s ALA 32 CO 0.28 -0.96 1.78 -1.00 0.00 0.00 0.00 175.76 175.87 2kmf h PRO 33 N 7.78 0.00 -0.64 0.00 0.13 -1.91 -2.90 132.00 134.45 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kmf h PRO 33 CO 0.92 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.96 2kmf n ASN 34 N -2.60 4.33 -0.16 1.44 6.94 -1.26 -4.40 115.26 119.55 2kmf n ASN 34 Ca 0.03 -2.50 -0.08 0.00 -0.02 0.00 0.00 54.58 52.00 2kmf n ASN 34 Cb 0.35 -0.57 0.01 0.00 -2.36 0.00 0.00 39.78 37.20 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 3.37 0.69 -0.19 -3.83 2.43 -1.88 0.46 114.38 115.44 2kmf h ARG 35 Ca 0.00 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 58.85 2kmf h ARG 35 Cb 1.41 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2kmf h ARG 35 CO 0.27 0.59 -0.71 1.96 -1.51 0.00 0.00 179.97 180.57 2kmf h GLN 36 N 0.62 0.80 -0.08 0.20 1.08 -1.85 -1.35 115.11 114.53 2kmf h GLN 36 Ca 0.16 -0.61 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2kmf h GLN 36 Cb 0.14 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2kmf h GLN 36 CO -0.02 1.23 -0.01 1.49 -0.95 0.00 0.00 178.83 180.57 2kmf h GLU 37 N 0.57 0.14 -0.25 1.46 4.81 -1.78 -2.68 114.58 116.85 2kmf h GLU 37 Ca -0.03 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 2kmf h GLU 37 Cb 1.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2kmf h GLU 37 CO 0.15 0.44 -0.25 -0.24 -0.73 0.00 0.00 179.01 178.38 2kmf h VAL 38 N -0.17 1.26 -0.10 0.32 3.04 -0.15 -2.23 116.25 118.23 2kmf h VAL 38 Ca 0.02 -1.27 0.02 0.00 -1.01 0.00 0.00 66.70 64.46 2kmf h VAL 38 Cb 0.38 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 2kmf h VAL 38 CO 0.01 0.40 -0.01 1.56 -1.01 0.00 0.00 177.57 178.52 2kmf h GLN 39 N 0.42 0.02 -0.40 4.17 4.20 -1.18 0.58 115.11 122.93 2kmf h GLN 39 Ca 0.06 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2kmf h GLN 39 Cb 0.67 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2kmf h GLN 39 CO 0.05 0.01 -0.06 0.22 -0.67 0.00 0.00 178.83 178.38 2kmf h ASP 40 N 0.02 0.64 -0.31 1.46 1.82 -1.37 -2.04 116.42 116.63 2kmf h ASP 40 Ca 0.05 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2kmf h ASP 40 Cb 0.06 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 2kmf h ASP 40 CO -0.09 0.75 0.15 0.74 -1.61 0.00 0.00 179.24 179.18 2kmf h THR 41 N 0.62 1.15 0.10 2.25 2.02 -0.76 -2.39 112.91 115.90 2kmf h THR 41 Ca 0.12 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2kmf h THR 41 Cb 0.47 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kmf h THR 41 CO 0.02 0.16 -0.05 0.00 0.37 0.00 0.00 175.52 176.02 2kmf h ALA 42 N 1.01 -0.14 -1.01 6.16 0.00 -0.68 -2.33 119.26 122.27 2kmf h ALA 42 Ca 0.11 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.21 2kmf h ALA 42 Cb 0.11 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 2kmf h ALA 42 CO -0.01 -0.55 0.61 -0.09 0.00 0.00 0.00 179.25 179.21 2kmf h ARG 43 N -0.19 0.53 -0.77 0.00 2.43 -1.25 0.54 114.38 115.68 2kmf h ARG 43 Ca -0.01 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2kmf h ARG 43 Cb 0.15 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2kmf h ARG 43 CO 0.02 0.35 0.29 0.78 -1.51 0.00 0.00 179.97 179.91 2kmf h GLY 44 N 0.54 1.24 1.01 2.80 0.00 -0.90 -2.06 103.07 105.70 2kmf h GLY 44 Ca 0.64 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2kmf h GLY 44 CO -0.44 0.65 0.24 1.46 0.00 0.00 0.00 176.54 178.44 2kmf h GLN 45 N 1.12 0.96 0.19 4.80 1.08 0.41 0.53 115.11 124.20 2kmf h GLN 45 Ca 0.25 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2kmf h GLN 45 Cb 0.23 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2kmf h GLN 45 CO -0.02 0.82 -0.09 0.82 -0.95 0.00 0.00 178.83 179.41 2kmf h ILE 46 N 0.90 0.86 -0.51 2.54 5.03 -0.95 0.33 117.51 125.70 2kmf h ILE 46 Ca 0.21 -0.24 -0.03 0.00 -0.12 0.00 0.00 64.86 64.68 2kmf h ILE 46 Cb 0.23 1.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.00 2kmf h ILE 46 CO -0.01 0.05 0.20 0.78 -0.68 0.00 0.00 178.15 178.49 2kmf h ASN 47 N -0.38 0.72 -0.13 1.72 2.35 -1.31 -2.50 115.58 116.05 2kmf h ASN 47 Ca -0.03 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 2kmf h ASN 47 Cb 0.29 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2kmf h ASN 47 CO 0.04 0.69 -0.16 0.44 -1.65 0.00 0.00 177.43 176.80 2kmf h ASP 48 N 0.69 0.50 0.79 5.81 3.32 -0.81 0.72 116.42 127.45 2kmf h ASP 48 Ca 0.17 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2kmf h ASP 48 Cb 0.21 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2kmf h ASP 48 CO -0.01 0.69 -0.38 0.22 -1.72 0.00 0.00 179.24 178.03 2kmf h TYR 49 N 0.47 -0.98 -0.16 4.55 3.20 0.03 -2.26 116.97 121.82 2kmf h TYR 49 Ca 0.08 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 2kmf h TYR 49 Cb 0.55 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2kmf h TYR 49 CO 0.02 -0.61 -0.47 -0.84 -1.64 0.00 0.00 178.16 174.62 2kmf h ILE 50 N -1.18 1.32 -0.04 1.81 3.07 -1.51 -2.47 117.51 118.52 2kmf h ILE 50 Ca -0.11 -1.68 0.01 0.00 1.55 0.00 0.00 64.86 64.63 2kmf h ILE 50 Cb 0.81 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 39.07 2kmf h ILE 50 CO 0.18 0.51 -0.03 -1.28 -1.05 0.00 0.00 178.15 176.48 2kmf h SER 51 N 0.32 -0.08 0.03 2.16 0.87 -0.87 2.15 113.55 118.13 2kmf h SER 51 Ca 0.02 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 2kmf h SER 51 Cb 0.95 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2kmf h SER 51 CO 0.08 -0.04 -0.56 0.08 -0.53 0.00 0.00 176.83 175.87 2kmf h ARG 52 N -0.03 0.56 -0.64 2.24 0.11 -1.44 -2.95 114.38 112.23 2kmf h ARG 52 Ca 0.03 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2kmf h ARG 52 Cb 0.06 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2kmf h ARG 52 CO -0.06 0.97 0.00 0.66 0.10 0.00 0.00 179.97 181.64 2kmf n TYR 53 N -3.95 1.44 -0.17 4.08 4.01 -0.93 -4.42 117.16 117.21 2kmf n TYR 53 Ca -0.03 -0.55 -0.07 0.00 -0.16 0.00 0.00 57.90 57.08 2kmf n TYR 53 Cb 0.61 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 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 3.57 0.70 -0.07 -0.72 9.65 0.37 -1.85 114.38 126.03 2kmf h ARG 54 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2kmf h ARG 54 Cb 1.42 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2kmf h ARG 54 CO 0.26 0.53 0.00 0.54 2.80 0.00 0.00 179.97 184.10 2kmf n ARG 55 N -4.67 1.47 -0.11 0.20 1.74 -1.26 -2.93 116.66 111.10 2kmf n ARG 55 Ca 0.02 -0.70 -0.08 0.00 -0.77 0.00 0.00 57.85 56.32 2kmf n ARG 55 Cb 0.07 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.54 0.46 0.00 5.56 3.64 -1.60 -3.42 116.57 122.74 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 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2kmf h LYS 56 CO 0.00 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 2kmf n GLY 57 N -1.20 0.48 2.19 5.01 0.00 -1.26 -4.98 105.19 105.44 2kmf n GLY 57 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.42 -0.33 1.61 2.03 -1.15 -4.51 116.55 110.78 2kmf n ASP 58 Ca 0.00 0.25 0.04 0.00 0.52 0.00 0.00 54.79 55.60 2kmf n ASP 58 Cb 0.07 -3.06 -0.02 0.00 -0.72 0.00 0.00 41.12 37.39 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmf n ALA 59 N -1.08 -0.86 -0.11 -1.67 0.00 -1.26 -4.97 120.51 110.56 2kmf n ALA 59 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kmf n ALA 59 Cb 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.90 0.56 0.07 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 3.47 -0.02 0.00 -1.26 -5.06 105.19 100.32 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 -3.42 3.39 0.15 0.99 1.02 -1.26 -4.99 118.68 114.55 2kmf s LEU 62 Ca 0.00 -0.16 -0.13 0.00 0.02 0.00 0.00 54.13 53.85 2kmf s LEU 62 Cb 0.00 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.36 2kmf s LEU 62 CO 0.00 0.05 1.64 0.11 0.02 0.00 0.00 176.35 178.17 2kmf h LYS 63 N 7.59 0.80 -0.19 1.70 1.79 -1.96 -0.78 116.57 125.51 2kmf h LYS 63 Ca -0.37 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2kmf h LYS 63 Cb 1.18 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2kmf h LYS 63 CO 0.61 0.79 0.10 1.03 -1.08 0.00 0.00 179.45 180.91 2kmf h SER 64 N 0.68 0.24 -0.25 0.86 0.87 -1.89 0.31 113.55 114.37 2kmf h SER 64 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2kmf h SER 64 Cb 0.37 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2kmf h SER 64 CO 0.01 0.27 0.11 0.15 -0.53 0.00 0.00 176.83 176.83 2kmf h PHE 65 N 0.20 0.38 -0.18 2.24 3.57 -1.93 0.44 116.94 121.66 2kmf h PHE 65 Ca 0.07 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2kmf h PHE 65 Cb 0.08 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2kmf h PHE 65 CO -0.03 0.38 0.05 1.15 -2.23 0.00 0.00 178.31 177.63 2kmf h THR 66 N 0.26 1.19 -0.31 4.41 2.02 -1.03 0.26 112.91 119.71 2kmf h THR 66 Ca 0.09 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2kmf h THR 66 Cb 0.16 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 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 0.11 1.19 -0.52 3.16 2.02 -0.29 -2.96 112.91 115.62 2kmf h THR 67 Ca 0.06 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2kmf h THR 67 Cb 0.23 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2kmf h THR 67 CO -0.00 0.20 0.14 0.24 0.37 0.00 0.00 175.52 176.47 2kmf h MET 68 N 0.34 0.83 -0.25 6.66 2.07 -0.03 -0.75 114.93 123.79 2kmf h MET 68 Ca 0.10 -0.19 0.05 0.00 -2.07 0.00 0.00 59.70 57.59 2kmf h MET 68 Cb 0.20 -0.11 -0.07 0.00 -1.87 0.00 0.00 31.60 29.75 2kmf h MET 68 CO -0.01 0.78 -0.49 0.37 1.07 0.00 0.00 176.91 178.63 2kmf h GLN 69 N 0.72 -0.45 -0.29 1.72 4.15 -0.33 0.58 115.11 121.21 2kmf h GLN 69 Ca 0.16 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2kmf h GLN 69 Cb 0.32 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2kmf h GLN 69 CO -0.00 -0.30 -0.02 1.15 -1.93 0.00 0.00 178.83 177.73 2kmf h THR 70 N -0.47 1.26 0.12 2.39 2.02 -1.49 -1.48 112.91 115.27 2kmf h THR 70 Ca 0.08 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2kmf h THR 70 Cb 0.63 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2kmf h THR 70 CO -0.49 0.31 -0.11 0.00 0.37 0.00 0.00 175.52 175.60 2kmf h ALA 71 N 0.82 -0.22 -0.68 6.16 0.00 -0.58 0.26 119.26 125.01 2kmf h ALA 71 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 71 Cb 0.47 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kmf h ALA 71 CO 0.02 -0.64 0.21 -0.07 0.00 0.00 0.00 179.25 178.77 2kmf h LEU 72 N -0.25 0.99 -0.86 0.00 4.07 0.10 -2.58 115.31 116.79 2kmf h LEU 72 Ca 0.00 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.69 2kmf h LEU 72 Cb 0.23 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 2kmf h LEU 72 CO -0.02 0.94 0.14 0.78 -1.08 0.00 0.00 178.44 179.19 2kmf h ASN 73 N 1.00 0.93 0.75 -0.43 2.35 -1.02 0.92 115.58 120.07 2kmf h ASN 73 Ca 0.22 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2kmf h ASN 73 Cb 0.30 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.43 2kmf h ASN 73 CO -0.01 0.91 -0.36 0.28 -1.65 0.00 0.00 177.43 176.60 2kmf h SER 74 N 0.94 -0.85 -0.08 5.81 0.02 -0.16 -2.73 113.55 116.50 2kmf h SER 74 Ca 0.20 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2kmf h SER 74 Cb 0.36 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kmf h SER 74 CO 0.00 -0.57 -0.30 0.17 -1.14 0.00 0.00 176.83 174.99 2kmf h LEU 75 N -1.07 0.55 -2.17 5.07 8.10 -1.48 -2.65 115.31 121.66 2kmf h LEU 75 Ca -0.10 -0.21 0.07 0.00 0.11 0.00 0.00 57.88 57.75 2kmf h LEU 75 Cb 0.78 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2kmf h LEU 75 CO 0.17 0.82 0.24 0.00 -4.11 0.00 0.00 178.44 175.56 2kmf h ALA 76 N 1.21 1.89 0.00 0.17 0.00 -0.75 0.14 119.26 121.93 2kmf h ALA 76 Ca 0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 2kmf h ALA 76 Cb 0.75 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2kmf h ALA 76 CO 0.06 -0.35 -1.28 0.78 0.00 0.00 0.00 179.25 178.45 2kmf h GLY 77 N 0.00 0.00 1.11 0.00 0.00 -1.16 -3.34 103.07 99.68 2kmf h GLY 77 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2kmf h GLY 77 CO -0.00 0.00 0.33 -0.97 0.00 0.00 0.00 176.54 175.90 2kmf h TYR 78 N 0.00 1.15 -0.53 5.60 -1.99 -0.60 0.49 116.97 121.09 2kmf h TYR 78 Ca -0.14 -0.07 0.03 0.00 2.00 0.00 0.00 58.73 60.54 2kmf h TYR 78 Cb 1.75 -0.35 -0.04 0.00 2.00 0.00 0.00 36.73 40.10 2kmf h TYR 78 CO 0.00 0.86 0.32 1.88 -0.00 0.00 0.00 178.16 181.21 2kmf h TYR 79 N 1.12 0.59 0.00 4.88 0.05 -1.62 -2.05 116.97 119.94 2kmf h TYR 79 Ca 0.26 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2kmf h TYR 79 Cb 0.18 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2kmf h TYR 79 CO 0.02 0.33 -0.44 -2.37 -1.05 0.00 0.00 178.16 174.65 2kmf n THR 80 N -4.79 0.32 0.08 -2.88 5.66 -1.07 -1.25 114.28 110.35 2kmf n THR 80 Ca 0.04 -0.22 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 2kmf n THR 80 Cb 0.08 -0.19 -0.08 0.00 -1.55 0.00 0.00 70.33 68.60 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 0.00 -0.10 0.00 1.09 0.87 0.74 -3.35 113.55 112.80 2kmf h SER 81 Ca 0.00 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2kmf h SER 81 Cb 0.69 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2kmf h SER 81 CO 0.00 -0.02 -1.51 -1.22 -0.53 0.00 0.00 176.83 173.55 2kmf n TYR 82 N -5.11 0.00 -0.24 2.24 4.01 -1.16 -5.08 117.16 111.81 2kmf n TYR 82 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2kmf n TYR 82 Cb 0.10 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 2.18 -2.86 4.39 2.72 0.00 -0.38 -4.75 105.19 106.50 2kmf n GLY 83 Ca -0.07 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 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 0.19 -1.43 -2.91 4.61 0.00 -1.24 -4.92 120.51 114.81 2kmf n ALA 84 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 2kmf n ALA 84 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 16.99 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 -7.16 3.27 -0.04 0.00 3.52 -1.26 -5.06 118.95 112.22 2kmf s ARG 85 Ca 0.59 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 2kmf s ARG 85 Cb -0.34 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 2kmf s ARG 85 CO 0.99 0.33 1.28 -1.25 -0.81 0.00 0.00 175.30 175.84 2kmf s PRO 86 N 0.07 4.32 0.00 5.12 0.04 -1.26 -4.83 135.00 138.46 2kmf s PRO 86 Ca -0.04 1.79 -0.36 0.00 0.04 0.00 0.00 61.00 62.43 2kmf s PRO 86 Cb -0.14 -3.58 -0.15 0.00 0.04 0.00 0.00 34.50 30.67 2kmf s PRO 86 CO 0.04 -0.51 1.56 -0.89 0.04 0.00 0.00 177.00 177.24 2kmf n ILE 87 N 4.68 0.15 -1.01 0.56 5.41 -1.26 -4.88 119.36 123.00 2kmf n ILE 87 Ca 0.12 -0.03 -0.35 0.00 1.00 0.00 0.00 62.75 63.49 2kmf n ILE 87 Cb 0.45 -1.24 0.07 0.00 -0.71 0.00 0.00 39.64 38.22 2kmf n ILE 87 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2kmf n PRO 88 N 3.94 -0.04 -0.04 0.38 -0.02 -1.26 -4.59 135.00 133.37 2kmf n PRO 88 Ca 0.20 0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 2kmf n PRO 88 Cb 0.22 -1.48 0.21 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.97 0.61 -0.04 -0.52 5.08 -1.98 0.97 114.58 117.72 2kmf h GLU 89 Ca -0.44 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2kmf h GLU 89 Cb 1.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kmf h GLU 89 CO 0.33 0.70 0.02 0.87 -1.00 0.00 0.00 179.01 179.94 2kmf h LYS 90 N 0.56 0.06 -0.30 2.33 1.57 -2.01 -2.12 116.57 116.66 2kmf h LYS 90 Ca 0.10 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2kmf h LYS 90 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kmf h LYS 90 CO 0.03 0.14 -0.37 1.25 -0.57 0.00 0.00 179.45 179.92 2kmf h LEU 91 N -0.03 0.75 -0.60 2.94 5.85 -1.87 -3.13 115.31 119.21 2kmf h LEU 91 Ca 0.02 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2kmf h LEU 91 Cb 0.10 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 2kmf h LEU 91 CO -0.00 1.04 0.20 0.50 -0.34 0.00 0.00 178.44 179.84 2kmf h LYS 92 N 0.59 0.35 -0.80 1.25 3.64 -0.57 -0.30 116.57 120.73 2kmf h LYS 92 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2kmf h LYS 92 Cb 0.91 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 2kmf h LYS 92 CO 0.08 0.23 0.39 0.87 -2.27 0.00 0.00 179.45 178.75 2kmf h LYS 93 N 0.36 1.15 -0.41 1.90 1.57 -1.34 -1.70 116.57 118.10 2kmf h LYS 93 Ca 0.31 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2kmf h LYS 93 Cb 0.41 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2kmf h LYS 93 CO -0.33 0.88 0.24 -0.09 -0.57 0.00 0.00 179.45 179.58 2kmf h ARG 94 N 1.13 0.56 -0.83 3.15 2.43 -1.13 -2.76 114.38 116.94 2kmf h ARG 94 Ca 0.28 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2kmf h ARG 94 Cb 0.11 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2kmf h ARG 94 CO -0.04 0.44 0.36 -0.07 -1.51 0.00 0.00 179.97 179.15 2kmf h LEU 95 N 0.54 1.12 -0.70 3.80 3.38 -0.82 -2.08 115.31 120.54 2kmf h LEU 95 Ca 0.15 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2kmf h LEU 95 Cb 0.03 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.40 2kmf h LEU 95 CO -0.03 0.97 0.27 1.56 0.09 0.00 0.00 178.44 181.31 2kmf h GLN 96 N 1.19 0.42 -0.49 1.13 1.08 -1.03 -0.22 115.11 117.20 2kmf h GLN 96 Ca 0.28 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.34 2kmf h GLN 96 Cb 0.18 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2kmf h GLN 96 CO -0.03 0.28 -0.13 -0.07 -0.95 0.00 0.00 178.83 177.93 2kmf h LEU 97 N 0.44 0.97 -1.49 1.46 3.38 -1.30 -1.48 115.31 117.28 2kmf h LEU 97 Ca 0.37 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2kmf h LEU 97 Cb 0.52 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2kmf h LEU 97 CO -0.37 1.11 0.48 -0.33 0.09 0.00 0.00 178.44 179.42 2kmf h GLU 98 N 0.81 0.54 0.10 1.13 4.39 -0.40 -0.74 114.58 120.41 2kmf h GLU 98 Ca 0.12 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.52 2kmf h GLU 98 Cb 0.69 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2kmf h GLU 98 CO 0.05 0.36 -1.30 0.74 -1.16 0.00 0.00 179.01 177.69 2kmf h PHE 99 N 0.55 0.39 -0.39 4.33 0.04 -1.00 -2.90 116.94 117.96 2kmf h PHE 99 Ca 0.34 -0.29 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2kmf h PHE 99 Cb 0.56 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 2kmf h PHE 99 CO -0.00 1.26 0.22 1.15 -0.60 0.00 0.00 178.31 180.33 2kmf h THR 100 N 0.06 1.15 -0.06 -1.55 2.02 -0.11 0.52 112.91 114.94 2kmf h THR 100 Ca -0.15 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 2kmf h THR 100 Cb 1.96 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2kmf h THR 100 CO 0.18 0.15 -0.56 0.06 0.37 0.00 0.00 175.52 175.72 2kmf h GLN 101 N 0.50 0.19 0.10 6.66 3.07 -1.34 -2.28 115.11 122.00 2kmf h GLN 101 Ca 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 2kmf h GLN 101 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2kmf h GLN 101 CO -0.02 0.70 -0.05 0.00 0.09 0.00 0.00 178.83 179.55 2kmf h ALA 102 N 1.28 -0.13 -0.78 0.06 0.00 -1.23 0.15 119.26 118.61 2kmf h ALA 102 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kmf h ALA 102 Cb 1.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2kmf h ALA 102 CO 0.08 -0.35 0.35 1.05 0.00 0.00 0.00 179.25 180.39 2kmf h GLU 103 N -0.57 1.12 -0.45 0.00 4.11 -0.96 -1.98 114.58 115.85 2kmf h GLU 103 Ca -0.01 -0.17 -0.09 0.00 0.07 0.00 0.00 59.36 59.16 2kmf h GLU 103 Cb 0.47 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2kmf h GLU 103 CO 0.02 0.88 -0.07 0.00 0.07 0.00 0.00 179.01 179.91 2kmf h ARG 104 N 1.11 0.79 0.00 1.06 3.08 -1.41 -2.49 114.38 116.52 2kmf h ARG 104 Ca 0.27 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2kmf h ARG 104 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2kmf h ARG 104 CO -0.03 0.84 -0.15 0.77 -1.07 0.00 0.00 179.97 180.33 2kmf h SER 105 N 0.72 0.00 -0.57 7.04 0.02 -0.25 -2.62 113.55 117.89 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 0.55 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2kmf h SER 105 CO 0.03 0.15 0.29 0.40 -1.14 0.00 0.00 176.83 176.56 2kmf h ILE 106 N 0.00 1.20 -0.71 3.27 1.08 -0.93 -1.95 117.51 119.48 2kmf h ILE 106 Ca -0.00 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 2kmf h ILE 106 Cb 0.34 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2kmf h ILE 106 CO 0.02 0.22 0.27 -0.33 -0.69 0.00 0.00 178.15 177.64 2kmf h GLU 107 N 0.77 1.06 0.00 2.37 5.08 -1.53 -1.16 114.58 121.17 2kmf h GLU 107 Ca 0.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2kmf h GLU 107 Cb 0.09 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2kmf h GLU 107 CO -0.03 0.87 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.72 2kmf h ARG 108 N 1.03 0.00 -3.26 2.33 2.43 -1.36 -3.46 114.38 112.10 2kmf h ARG 108 Ca 0.24 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.11 2kmf h ARG 108 Cb 0.22 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2kmf h ARG 108 CO -0.02 0.04 -0.44 0.41 -1.51 0.00 0.00 179.97 178.45 2kmf n GLY 109 N -0.53 -0.21 0.00 2.80 0.00 -0.44 -5.11 105.19 101.69 2kmf n GLY 109 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65