#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 2.93 0.37 1.61 0.04 -1.26 -5.00 135.00 133.69 2kmf s PRO -3 Ca 0.00 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 2kmf s PRO -3 Cb 0.00 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2kmf s PRO -3 CO 0.00 -1.18 1.04 -0.51 0.04 0.00 0.00 177.00 176.39 2kmf s LEU -2 N -4.43 4.23 0.00 -3.56 1.43 -1.26 -4.99 118.68 110.11 2kmf s LEU -2 Ca 0.71 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2kmf s LEU -2 Cb -0.24 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2kmf s LEU -2 CO 0.36 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.18 2kmf n GLY -1 N 0.49 2.06 0.32 -3.19 0.00 -1.26 -5.00 105.19 98.61 2kmf n GLY -1 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.74 2kmf n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kmf h SER 0 N 0.00 0.63 -5.65 1.61 4.64 -2.06 -3.48 113.55 109.25 2kmf h SER 0 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2kmf h SER 0 Cb 0.00 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 2kmf h SER 0 CO 0.00 0.49 -0.78 0.00 -0.87 0.00 0.00 176.83 175.67 2kmf s ASP 2 N -0.41 6.66 -0.01 0.00 1.01 -1.26 -5.03 116.67 117.63 2kmf s ASP 2 Ca -0.12 2.67 -0.03 0.00 0.71 0.00 0.00 52.55 55.78 2kmf s ASP 2 Cb 0.01 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2kmf s ASP 2 CO 0.37 -0.61 0.06 -0.55 0.21 0.00 0.00 175.17 174.65 2kmf s SER 3 N -0.57 0.01 0.00 0.27 0.15 -1.26 -4.74 113.70 107.56 2kmf s SER 3 Ca 0.51 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2kmf s SER 3 Cb -0.39 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2kmf s SER 3 CO 0.51 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2kmf n GLY 4 N 2.47 0.47 0.25 9.45 0.00 -1.26 -4.94 105.19 111.63 2kmf n GLY 4 Ca -0.16 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.93 -3.45 112.91 112.68 2kmf h THR 5 Ca 0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2kmf h THR 5 Cb 0.02 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 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 -0.85 0.21 3.77 5.82 0.00 -1.26 -4.97 105.19 107.91 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 4.02 0.00 0.99 1.43 -1.26 -4.94 118.68 118.91 2kmf s LEU 7 Ca 0.00 2.43 0.09 0.00 -1.03 0.00 0.00 54.13 55.62 2kmf s LEU 7 Cb 0.00 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2kmf s LEU 7 CO 0.00 -1.01 0.54 0.35 0.23 0.00 0.00 176.35 176.46 2kmf n THR 8 N -0.49 0.00 0.00 5.49 -2.24 -1.26 -4.83 114.28 110.95 2kmf n THR 8 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2kmf n THR 8 Cb 0.47 1.08 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 0.98 0.44 3.53 3.38 0.00 -1.26 -5.06 105.19 107.21 2kmf n GLY 9 Ca 0.03 0.00 -0.42 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 -2.47 6.31 0.61 1.61 6.03 -1.26 -4.92 114.94 120.85 2kmf s ASN 10 Ca 0.00 -0.22 0.29 0.00 -1.03 0.00 0.00 52.86 51.91 2kmf s ASN 10 Cb 0.00 -2.28 1.58 0.00 -3.03 0.00 0.00 41.25 37.52 2kmf s ASN 10 CO 0.00 -0.61 1.96 0.22 -2.03 0.00 0.00 177.10 176.64 2kmf h TYR 11 N 8.64 0.00 0.44 1.54 3.20 -1.97 0.56 116.97 129.38 2kmf h TYR 11 Ca -0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 2kmf h TYR 11 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2kmf h TYR 11 CO 0.71 0.00 -0.21 1.03 -1.64 0.00 0.00 178.16 178.05 2kmf h SER 12 N 0.00 -0.50 0.70 -2.11 0.87 -1.97 -3.14 113.55 107.39 2kmf h SER 12 Ca 0.12 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.50 2kmf h SER 12 Cb 0.84 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2kmf h SER 12 CO -0.00 -0.07 -0.88 -0.61 -0.53 0.00 0.00 176.83 174.74 2kmf h GLN 13 N -1.15 0.11 -0.70 2.24 4.15 -1.89 -3.29 115.11 114.59 2kmf h GLN 13 Ca -0.06 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.28 2kmf h GLN 13 Cb 0.46 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 2kmf h GLN 13 CO 0.10 0.91 0.40 -0.44 -1.93 0.00 0.00 178.83 177.88 2kmf h ASP 14 N 0.06 0.61 -0.44 -0.69 3.32 -0.02 0.41 116.42 119.67 2kmf h ASP 14 Ca -0.03 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2kmf h ASP 14 Cb 1.52 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 2kmf h ASP 14 CO 0.13 0.40 0.28 0.74 -1.72 0.00 0.00 179.24 179.07 2kmf h THR 15 N 0.74 1.10 -0.38 0.35 2.02 -1.61 -1.34 112.91 113.79 2kmf h THR 15 Ca 0.31 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 2kmf h THR 15 Cb 0.16 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2kmf h THR 15 CO -0.17 0.10 -0.20 0.25 0.37 0.00 0.00 175.52 175.87 2kmf h LEU 16 N 0.58 0.74 0.16 2.58 6.46 -1.45 -1.60 115.31 122.77 2kmf h LEU 16 Ca 0.16 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2kmf h LEU 16 Cb -0.05 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2kmf h LEU 16 CO -0.04 0.93 -0.08 0.74 -0.62 0.00 0.00 178.44 179.37 2kmf h THR 17 N 0.64 0.88 -0.59 1.05 2.02 0.36 0.36 112.91 117.64 2kmf h THR 17 Ca 0.10 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2kmf h THR 17 Cb 0.69 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2kmf h THR 17 CO 0.05 0.03 0.05 1.62 0.37 0.00 0.00 175.52 177.65 2kmf h VAL 18 N -0.28 1.26 -0.23 3.16 3.04 -1.27 -1.97 116.25 119.96 2kmf h VAL 18 Ca -0.02 -1.06 -0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2kmf h VAL 18 Cb 0.22 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 2kmf h VAL 18 CO 0.04 0.39 0.12 0.40 -1.01 0.00 0.00 177.57 177.50 2kmf h ILE 19 N 0.90 1.13 -0.81 3.17 2.04 -1.12 0.15 117.51 122.97 2kmf h ILE 19 Ca 0.17 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2kmf h ILE 19 Cb 0.48 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2kmf h ILE 19 CO 0.02 0.13 0.53 0.00 0.00 0.00 0.00 178.15 178.83 2kmf h ALA 20 N 0.99 1.48 -0.16 1.87 0.00 -0.13 0.29 119.26 123.60 2kmf h ALA 20 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2kmf h ALA 20 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kmf h ALA 20 CO -0.01 0.45 -0.35 1.15 0.00 0.00 0.00 179.25 180.49 2kmf h THR 21 N 1.03 1.35 -0.39 0.00 2.02 -0.96 -2.83 112.91 113.13 2kmf h THR 21 Ca 0.31 -1.61 -0.06 0.00 0.77 0.00 0.00 66.41 65.82 2kmf h THR 21 Cb -0.01 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2kmf h THR 21 CO -0.09 0.49 0.01 -0.07 0.37 0.00 0.00 175.52 176.23 2kmf h LEU 22 N 0.14 0.67 -0.07 2.58 3.38 -0.20 0.41 115.31 122.23 2kmf h LEU 22 Ca 0.00 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2kmf h LEU 22 Cb 0.95 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2kmf h LEU 22 CO 0.08 0.81 -0.05 0.03 0.09 0.00 0.00 178.44 179.39 2kmf h ARG 23 N 0.51 -0.05 -0.15 1.13 3.08 -0.49 -1.13 114.38 117.28 2kmf h ARG 23 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2kmf h ARG 23 Cb 0.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2kmf h ARG 23 CO 0.02 -0.04 -0.47 1.05 -1.07 0.00 0.00 179.97 179.47 2kmf h GLU 24 N -0.06 0.37 -0.08 0.04 4.11 -1.49 -2.08 114.58 115.40 2kmf h GLU 24 Ca 0.05 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 2kmf h GLU 24 Cb 0.12 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kmf h GLU 24 CO -0.10 0.76 0.05 0.00 0.07 0.00 0.00 179.01 179.79 2kmf h ALA 25 N 1.21 0.10 0.00 1.06 0.00 -0.48 -2.16 119.26 118.99 2kmf h ALA 25 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 25 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kmf h ALA 25 CO 0.08 -0.39 0.00 -0.84 0.00 0.00 0.00 179.25 178.10 2kmf h ILE 26 N 0.08 0.00 -0.14 0.00 3.07 -1.22 -2.89 117.51 116.40 2kmf h ILE 26 Ca 0.03 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2kmf h ILE 26 Cb 0.03 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 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 -2.44 1.60 -4.82 2.16 -0.08 -0.78 -4.90 116.55 107.28 2kmf n ASP 27 Ca 0.04 -1.67 -0.33 0.00 -1.51 0.00 0.00 54.79 51.32 2kmf n ASP 27 Cb 0.40 -0.09 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 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 -1.62 3.74 0.49 -2.67 2.34 -0.86 -5.02 118.68 115.08 2kmf s LEU 28 Ca 0.33 1.71 -0.20 0.00 0.06 0.00 0.00 54.13 56.02 2kmf s LEU 28 Cb 0.18 -4.53 -0.08 0.00 -0.56 0.00 0.00 46.19 41.20 2kmf s LEU 28 CO 0.27 -0.63 1.06 -2.16 -1.06 0.00 0.00 176.35 173.83 2kmf s PRO 29 N -3.64 3.73 0.53 1.48 0.04 -1.26 -4.92 135.00 130.96 2kmf s PRO 29 Ca 0.62 1.44 0.36 0.00 0.04 0.00 0.00 61.00 63.45 2kmf s PRO 29 Cb -0.12 -2.11 1.84 0.00 0.04 0.00 0.00 34.50 34.15 2kmf s PRO 29 CO 0.24 -0.50 2.09 1.96 0.04 0.00 0.00 177.00 180.83 2kmf h GLN 30 N 1.56 0.00 -0.18 4.56 7.50 -1.98 0.19 115.11 126.76 2kmf h GLN 30 Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2kmf h GLN 30 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.76 2kmf h GLN 30 CO 0.59 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.67 2kmf n ASP 31 N -2.82 1.70 -4.69 1.46 8.00 -1.26 -4.91 116.55 114.03 2kmf n ASP 31 Ca -0.02 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 2kmf n ASP 31 Cb 0.11 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2kmf n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmf s ALA 32 N -1.77 3.72 -0.50 2.24 0.00 0.67 -4.89 121.76 121.24 2kmf s ALA 32 Ca 0.32 1.29 0.26 0.00 0.00 0.00 0.00 51.96 53.82 2kmf s ALA 32 Cb 0.17 -3.70 0.90 0.00 0.00 0.00 0.00 23.12 20.49 2kmf s ALA 32 CO 0.25 -1.08 1.76 -1.00 0.00 0.00 0.00 175.76 175.69 2kmf h PRO 33 N 8.14 0.00 -0.63 0.00 0.13 -1.91 -2.96 132.00 134.78 2kmf h PRO 33 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.93 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.97 2kmf n ASN 34 N -2.44 4.97 -0.20 1.44 6.94 -1.26 -4.40 115.26 120.31 2kmf n ASN 34 Ca 0.03 -2.63 -0.07 0.00 -0.02 0.00 0.00 54.58 51.90 2kmf n ASN 34 Cb 0.35 -0.62 0.08 0.00 -2.36 0.00 0.00 39.78 37.23 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 3.84 1.02 -0.11 -3.83 2.43 -1.89 0.42 114.38 116.26 2kmf h ARG 35 Ca 0.00 -0.27 -0.19 0.00 -0.81 0.00 0.00 59.98 58.70 2kmf h ARG 35 Cb 1.62 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.06 2kmf h ARG 35 CO 0.33 0.95 -0.68 0.37 -1.51 0.00 0.00 179.97 179.43 2kmf h GLN 36 N 0.95 0.66 -0.15 0.20 5.75 -1.85 -2.79 115.11 117.88 2kmf h GLN 36 Ca 0.19 -0.56 -0.08 0.00 -0.15 0.00 0.00 58.65 58.04 2kmf h GLN 36 Cb 0.45 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 2kmf h GLN 36 CO 0.02 1.18 -0.23 1.49 -2.65 0.00 0.00 178.83 178.63 2kmf h GLU 37 N 0.33 0.42 -0.29 1.69 4.81 -1.80 -3.16 114.58 116.59 2kmf h GLU 37 Ca -0.05 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2kmf h GLU 37 Cb 1.33 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2kmf h GLU 37 CO 0.14 0.84 0.07 -0.24 -0.73 0.00 0.00 179.01 179.09 2kmf h VAL 38 N 0.05 1.14 -0.32 0.32 3.04 -0.26 -2.47 116.25 117.75 2kmf h VAL 38 Ca 0.01 -0.49 0.04 0.00 -1.01 0.00 0.00 66.70 65.26 2kmf h VAL 38 Cb 0.80 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 2kmf h VAL 38 CO 0.05 0.17 0.10 1.56 -1.01 0.00 0.00 177.57 178.45 2kmf h GLN 39 N 0.41 0.23 -0.75 4.17 4.20 -1.46 0.82 115.11 122.73 2kmf h GLN 39 Ca 0.10 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2kmf h GLN 39 Cb 0.16 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2kmf h GLN 39 CO -0.00 0.15 0.33 -0.44 -0.67 0.00 0.00 178.83 178.19 2kmf h ASP 40 N 0.24 1.01 -0.25 1.46 3.32 -1.46 -0.09 116.42 120.64 2kmf h ASP 40 Ca 0.14 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2kmf h ASP 40 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2kmf h ASP 40 CO -0.16 0.88 0.12 0.74 -1.72 0.00 0.00 179.24 179.11 2kmf h THR 41 N 1.09 1.14 -0.39 0.35 2.02 -0.97 -1.17 112.91 114.98 2kmf h THR 41 Ca 0.26 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2kmf h THR 41 Cb 0.17 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2kmf h THR 41 CO -0.03 0.14 0.10 0.00 0.37 0.00 0.00 175.52 176.11 2kmf h ALA 42 N 0.98 0.52 -0.81 6.16 0.00 -0.60 -2.30 119.26 123.20 2kmf h ALA 42 Ca 0.09 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2kmf h ALA 42 Cb 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2kmf h ALA 42 CO -0.01 0.18 0.46 -0.09 0.00 0.00 0.00 179.25 179.79 2kmf h ARG 43 N 0.49 0.76 -0.60 0.00 2.43 -0.84 -0.04 114.38 116.58 2kmf h ARG 43 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2kmf h ARG 43 Cb 0.29 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2kmf h ARG 43 CO -0.00 0.50 0.34 0.78 -1.51 0.00 0.00 179.97 180.08 2kmf h GLY 44 N 0.78 0.89 1.00 2.80 0.00 -0.90 -1.24 103.07 106.40 2kmf h GLY 44 Ca 0.39 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2kmf h GLY 44 CO -0.24 0.38 0.29 1.46 0.00 0.00 0.00 176.54 178.43 2kmf h GLN 45 N 0.81 0.96 0.44 4.80 1.08 -0.68 0.25 115.11 122.77 2kmf h GLN 45 Ca 0.21 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2kmf h GLN 45 Cb 0.03 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2kmf h GLN 45 CO -0.04 0.78 -0.21 0.82 -0.95 0.00 0.00 178.83 179.23 2kmf h ILE 46 N 0.91 0.57 -0.38 2.54 2.04 -0.67 0.25 117.51 122.76 2kmf h ILE 46 Ca 0.22 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2kmf h ILE 46 Cb 0.15 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2kmf h ILE 46 CO -0.02 0.02 0.09 0.78 0.00 0.00 0.00 178.15 179.02 2kmf h ASN 47 N -0.66 0.58 -0.48 1.72 2.35 -1.16 -2.85 115.58 115.07 2kmf h ASN 47 Ca -0.06 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 2kmf h ASN 47 Cb 0.49 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2kmf h ASN 47 CO 0.10 0.66 0.13 0.44 -1.65 0.00 0.00 177.43 177.11 2kmf h ASP 48 N 0.47 0.77 0.90 5.81 3.32 -0.46 0.20 116.42 127.43 2kmf h ASP 48 Ca 0.12 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2kmf h ASP 48 Cb 0.31 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2kmf h ASP 48 CO 0.00 0.75 -0.43 0.22 -1.72 0.00 0.00 179.24 178.06 2kmf h TYR 49 N 0.80 -1.12 -0.08 4.55 3.20 -0.32 -1.84 116.97 122.15 2kmf h TYR 49 Ca 0.18 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 2kmf h TYR 49 Cb 0.29 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2kmf h TYR 49 CO 0.02 -0.70 -0.61 -0.84 -1.64 0.00 0.00 178.16 174.40 2kmf h ILE 50 N -1.25 1.38 0.05 1.81 3.07 -1.51 -2.46 117.51 118.59 2kmf h ILE 50 Ca -0.12 -1.97 -0.00 0.00 1.55 0.00 0.00 64.86 64.32 2kmf h ILE 50 Cb 0.93 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 2kmf h ILE 50 CO 0.20 0.59 -0.02 -1.28 -1.05 0.00 0.00 178.15 176.59 2kmf h SER 51 N 0.21 -0.05 -0.32 2.16 0.87 -0.58 1.26 113.55 117.10 2kmf h SER 51 Ca -0.01 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 2kmf h SER 51 Cb 1.12 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2kmf h SER 51 CO 0.10 -0.02 -0.50 0.08 -0.53 0.00 0.00 176.83 175.96 2kmf h ARG 52 N -0.08 0.91 -0.65 2.24 0.11 -1.39 -2.94 114.38 112.57 2kmf h ARG 52 Ca -0.01 -0.55 0.00 0.00 0.10 0.00 0.00 59.98 59.53 2kmf h ARG 52 Cb 0.07 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2kmf h ARG 52 CO 0.01 1.19 0.00 0.66 0.10 0.00 0.00 179.97 181.93 2kmf n TYR 53 N -4.02 1.16 -0.13 4.08 4.01 -0.93 -4.34 117.16 116.99 2kmf n TYR 53 Ca -0.04 -0.43 -0.08 0.00 -0.16 0.00 0.00 57.90 57.19 2kmf n TYR 53 Cb 0.61 -0.26 -0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 2.72 0.55 -0.03 -0.72 9.65 0.18 -1.85 114.38 124.89 2kmf h ARG 54 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2kmf h ARG 54 Cb 1.23 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2kmf h ARG 54 CO 0.23 0.44 0.00 2.89 2.80 0.00 0.00 179.97 186.33 2kmf n ARG 55 N -4.74 1.29 -0.10 0.20 1.85 -1.26 -2.77 116.66 111.13 2kmf n ARG 55 Ca 0.00 -0.43 -0.09 0.00 -1.00 0.00 0.00 57.85 56.34 2kmf n ARG 55 Cb 0.08 -1.44 -0.01 0.00 -1.05 0.00 0.00 32.46 30.04 2kmf n ARG 55 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2kmf h LYS 56 N 0.99 0.45 0.00 2.89 3.64 -1.59 -3.43 116.57 119.52 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 0.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 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 -1.19 0.51 2.40 5.01 0.00 -1.25 -4.99 105.19 105.67 2kmf n GLY 57 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.82 -2.24 1.61 -0.08 -1.11 -3.37 116.55 107.54 2kmf n ASP 58 Ca 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2kmf n ASP 58 Cb 0.05 -3.28 0.00 0.00 2.34 0.00 0.00 41.12 40.24 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 -2.01 -3.28 -2.08 -1.67 0.00 -1.26 -5.03 120.51 105.18 2kmf n ALA 59 Ca -0.14 0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 2kmf n ALA 59 Cb 0.59 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 0.37 0.18 0.00 0.00 0.00 -1.22 -4.97 105.19 99.56 2kmf n GLY 60 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.31 0.17 3.52 -0.02 0.00 -1.26 -5.11 105.19 102.17 2kmf n GLY 61 Ca -0.12 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.03 0.16 0.99 1.02 -1.26 -4.96 118.68 118.66 2kmf s LEU 62 Ca 0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 54.13 53.79 2kmf s LEU 62 Cb 0.00 -2.06 0.04 0.00 0.02 0.00 0.00 46.19 44.19 2kmf s LEU 62 CO 0.00 -0.12 1.65 0.50 0.02 0.00 0.00 176.35 178.40 2kmf h LYS 63 N 8.37 0.91 -0.10 1.70 3.64 -1.98 -0.65 116.57 128.46 2kmf h LYS 63 Ca -0.34 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2kmf h LYS 63 Cb 1.17 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2kmf h LYS 63 CO 0.59 0.89 0.06 1.03 -2.27 0.00 0.00 179.45 179.74 2kmf h SER 64 N 0.80 0.13 -0.24 4.20 0.87 -1.88 0.45 113.55 117.87 2kmf h SER 64 Ca 0.16 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2kmf h SER 64 Cb 0.42 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kmf h SER 64 CO 0.01 0.16 0.10 0.15 -0.53 0.00 0.00 176.83 176.72 2kmf h PHE 65 N 0.08 0.36 -0.21 2.24 3.57 -1.93 0.32 116.94 121.38 2kmf h PHE 65 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2kmf h PHE 65 Cb 0.06 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2kmf h PHE 65 CO -0.05 0.37 0.05 1.15 -2.23 0.00 0.00 178.31 177.60 2kmf h THR 66 N 0.25 1.21 -0.30 4.41 2.02 -1.00 0.21 112.91 119.71 2kmf h THR 66 Ca 0.08 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2kmf h THR 66 Cb 0.15 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2kmf h THR 66 CO -0.01 0.21 0.12 0.74 0.37 0.00 0.00 175.52 176.96 2kmf h THR 67 N 0.15 1.18 -0.58 3.16 2.02 -0.02 -2.92 112.91 115.88 2kmf h THR 67 Ca 0.06 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2kmf h THR 67 Cb 0.28 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kmf h THR 67 CO 0.00 0.19 0.10 0.24 0.37 0.00 0.00 175.52 176.41 2kmf h MET 68 N 0.34 0.97 -0.45 6.66 2.07 -0.30 -0.92 114.93 123.29 2kmf h MET 68 Ca 0.10 -0.26 0.08 0.00 -2.07 0.00 0.00 59.70 57.55 2kmf h MET 68 Cb 0.18 -0.11 -0.10 0.00 -1.87 0.00 0.00 31.60 29.70 2kmf h MET 68 CO -0.01 0.92 -0.38 0.37 1.07 0.00 0.00 176.91 178.88 2kmf h GLN 69 N 0.87 -0.26 -0.24 1.72 4.15 -0.40 0.66 115.11 121.61 2kmf h GLN 69 Ca 0.18 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 2kmf h GLN 69 Cb 0.42 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 2kmf h GLN 69 CO 0.01 -0.17 -0.30 1.15 -1.93 0.00 0.00 178.83 177.59 2kmf h THR 70 N -0.27 1.32 0.19 2.39 2.02 -1.47 -1.90 112.91 115.20 2kmf h THR 70 Ca 0.17 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2kmf h THR 70 Cb 0.56 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2kmf h THR 70 CO -0.59 0.47 -0.11 0.00 0.37 0.00 0.00 175.52 175.65 2kmf h ALA 71 N 0.65 -0.29 -0.65 6.16 0.00 -0.39 0.26 119.26 125.01 2kmf h ALA 71 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kmf h ALA 71 Cb 0.88 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kmf h ALA 71 CO 0.07 -0.67 0.24 -0.07 0.00 0.00 0.00 179.25 178.82 2kmf h LEU 72 N -0.30 0.91 -0.94 0.00 4.07 0.23 -2.57 115.31 116.71 2kmf h LEU 72 Ca -0.02 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.69 2kmf h LEU 72 Cb 0.24 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2kmf h LEU 72 CO 0.02 0.85 0.07 0.78 -1.08 0.00 0.00 178.44 179.08 2kmf h ASN 73 N 0.92 0.80 0.67 -0.43 2.35 -1.13 -0.11 115.58 118.65 2kmf h ASN 73 Ca 0.21 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2kmf h ASN 73 Cb 0.24 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kmf h ASN 73 CO -0.01 0.82 -0.32 0.28 -1.65 0.00 0.00 177.43 176.55 2kmf h SER 74 N 0.80 -0.76 0.57 5.81 0.02 -0.10 -2.69 113.55 117.20 2kmf h SER 74 Ca 0.16 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 2kmf h SER 74 Cb 0.38 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kmf h SER 74 CO 0.01 -0.54 -0.43 0.17 -1.14 0.00 0.00 176.83 174.91 2kmf h LEU 75 N -0.90 0.00 -2.08 5.07 8.10 -1.48 -2.63 115.31 121.38 2kmf h LEU 75 Ca -0.09 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.92 2kmf h LEU 75 Cb 0.69 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2kmf h LEU 75 CO 0.15 0.43 0.05 0.00 -4.11 0.00 0.00 178.44 174.96 2kmf h ALA 76 N 1.57 1.97 -0.04 0.17 0.00 -0.81 -0.64 119.26 121.48 2kmf h ALA 76 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2kmf h ALA 76 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kmf h ALA 76 CO 0.06 -0.09 -0.71 0.78 0.00 0.00 0.00 179.25 179.29 2kmf h GLY 77 N 0.00 0.25 0.91 0.00 0.00 -1.13 -3.22 103.07 99.87 2kmf h GLY 77 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.02 2kmf h GLY 77 CO -0.00 0.32 0.32 -0.97 0.00 0.00 0.00 176.54 176.21 2kmf h TYR 78 N 0.15 0.60 -0.07 5.60 -1.99 -1.16 1.94 116.97 122.04 2kmf h TYR 78 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2kmf h TYR 78 Cb 1.27 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.80 2kmf h TYR 78 CO 0.03 0.35 0.04 1.88 -0.00 0.00 0.00 178.16 180.46 2kmf h TYR 79 N 0.64 0.09 0.03 4.88 0.05 -1.57 0.91 116.97 122.00 2kmf h TYR 79 Ca 0.20 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.72 2kmf h TYR 79 Cb -0.00 -0.03 0.02 0.00 1.01 0.00 0.00 36.73 37.72 2kmf h TYR 79 CO -0.06 0.09 -1.07 1.79 -1.05 0.00 0.00 178.16 177.86 2kmf h THR 80 N 0.07 1.31 -0.51 -2.88 1.35 -1.52 1.73 112.91 112.46 2kmf h THR 80 Ca 0.03 -2.35 -0.01 0.00 -0.55 0.00 0.00 66.41 63.53 2kmf h THR 80 Cb 0.02 2.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 2kmf h THR 80 CO -0.01 0.72 0.29 0.28 -0.25 0.00 0.00 175.52 176.56 2kmf h SER 81 N 0.33 0.62 0.00 5.36 0.02 0.32 -3.19 113.55 117.01 2kmf h SER 81 Ca -0.13 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.64 2kmf h SER 81 Cb 1.73 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 2kmf h SER 81 CO 0.20 0.51 -2.10 -1.22 -1.14 0.00 0.00 176.83 173.08 2kmf n TYR 82 N -4.67 0.00 0.00 3.45 4.01 0.31 -5.04 117.16 115.21 2kmf n TYR 82 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2kmf n TYR 82 Cb 0.07 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 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 1.41 1.20 2.80 2.72 0.00 0.59 -4.34 105.19 109.57 2kmf n GLY 83 Ca -0.12 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 3.75 6.11 -2.50 4.61 0.00 -1.26 -4.43 120.51 126.79 2kmf n ALA 84 Ca 0.00 -4.27 -0.32 0.00 0.00 0.00 0.00 53.44 48.85 2kmf n ALA 84 Cb 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 17.61 2kmf n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kmf s ARG 85 N -4.00 2.42 0.31 0.00 1.81 -1.26 -4.99 118.95 113.23 2kmf s ARG 85 Ca 0.49 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 53.44 2kmf s ARG 85 Cb 0.38 -2.37 -0.10 0.00 -0.45 0.00 0.00 34.95 32.41 2kmf s ARG 85 CO -0.32 0.60 1.21 -1.25 -0.68 0.00 0.00 175.30 174.87 2kmf s PRO 86 N -1.08 4.48 0.23 3.54 0.04 -1.26 -4.87 135.00 136.08 2kmf s PRO 86 Ca 0.14 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2kmf s PRO 86 Cb -0.11 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2kmf s PRO 86 CO 0.03 -0.01 1.28 0.42 0.04 0.00 0.00 177.00 178.77 2kmf s ILE 87 N -1.15 3.17 0.80 0.56 1.01 -1.26 -5.00 121.20 119.33 2kmf s ILE 87 Ca 0.47 1.01 -0.11 0.00 0.00 0.00 0.00 60.65 62.02 2kmf s ILE 87 Cb -0.36 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.54 2kmf s ILE 87 CO 0.48 0.18 1.12 -2.16 0.00 0.00 0.00 174.94 174.55 2kmf s PRO 88 N -0.54 1.91 0.36 2.79 0.04 -1.26 -4.86 135.00 133.45 2kmf s PRO 88 Ca 0.54 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.01 2kmf s PRO 88 Cb -0.36 -1.84 0.70 0.00 0.04 0.00 0.00 34.50 33.03 2kmf s PRO 88 CO 0.41 -1.93 1.91 1.05 0.04 0.00 0.00 177.00 178.47 2kmf h GLU 89 N -1.16 0.41 -0.49 4.56 9.09 -1.97 -2.37 114.58 122.65 2kmf h GLU 89 Ca -0.44 -0.08 0.09 0.00 0.05 0.00 0.00 59.36 58.97 2kmf h GLU 89 Cb 1.25 -0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 28.22 2kmf h GLU 89 CO 0.48 0.46 0.07 1.57 0.05 0.00 0.00 179.01 181.65 2kmf h LYS 90 N 0.39 0.19 -0.13 1.06 2.10 -2.01 -0.97 116.57 117.20 2kmf h LYS 90 Ca 0.08 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.49 2kmf h LYS 90 Cb 0.32 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2kmf h LYS 90 CO 0.01 0.13 -0.83 1.25 -2.00 0.00 0.00 179.45 178.01 2kmf h LEU 91 N 0.20 0.93 -0.73 7.07 5.85 -1.88 -3.21 115.31 123.53 2kmf h LEU 91 Ca 0.24 -0.63 0.12 0.00 0.84 0.00 0.00 57.88 58.45 2kmf h LEU 91 Cb 0.34 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2kmf h LEU 91 CO -0.34 1.43 0.32 0.50 -0.34 0.00 0.00 178.44 180.01 2kmf h LYS 92 N 0.51 0.49 -0.63 1.25 3.64 -0.87 0.18 116.57 121.14 2kmf h LYS 92 Ca -0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2kmf h LYS 92 Cb 1.46 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2kmf h LYS 92 CO 0.17 0.32 0.38 0.87 -2.27 0.00 0.00 179.45 178.92 2kmf h LYS 93 N 0.50 0.85 -0.36 1.90 1.57 -1.23 0.27 116.57 120.08 2kmf h LYS 93 Ca 0.39 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2kmf h LYS 93 Cb 0.52 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kmf h LYS 93 CO -0.35 0.61 -0.00 0.00 -0.57 0.00 0.00 179.45 179.14 2kmf h ARG 94 N 0.85 0.64 -0.69 3.15 3.08 -1.13 -3.10 114.38 117.18 2kmf h ARG 94 Ca 0.23 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2kmf h ARG 94 Cb -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2kmf h ARG 94 CO -0.04 0.75 0.18 -0.07 -1.07 0.00 0.00 179.97 179.72 2kmf h LEU 95 N 0.45 1.02 -0.68 3.04 3.38 -0.46 -2.74 115.31 119.33 2kmf h LEU 95 Ca 0.10 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.99 2kmf h LEU 95 Cb 0.46 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 2kmf h LEU 95 CO 0.02 0.97 0.22 1.56 0.09 0.00 0.00 178.44 181.30 2kmf h GLN 96 N 1.03 0.36 -0.56 1.13 1.08 -0.87 -0.51 115.11 116.77 2kmf h GLN 96 Ca 0.22 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 2kmf h GLN 96 Cb 0.34 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2kmf h GLN 96 CO -0.00 0.24 0.03 -0.07 -0.95 0.00 0.00 178.83 178.08 2kmf h LEU 97 N 0.37 0.93 -0.54 1.46 -0.00 -1.49 -2.17 115.31 113.87 2kmf h LEU 97 Ca 0.36 -0.29 0.07 0.00 -0.00 0.00 0.00 57.88 58.02 2kmf h LEU 97 Cb 0.53 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.89 2kmf h LEU 97 CO -0.39 0.99 0.23 -0.33 -0.00 0.00 0.00 178.44 178.94 2kmf h GLU 98 N 0.84 0.42 -0.32 1.13 3.07 -0.85 -1.20 114.58 117.68 2kmf h GLU 98 Ca 0.16 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 2kmf h GLU 98 Cb 0.49 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2kmf h GLU 98 CO 0.02 0.28 -0.21 0.74 -1.40 0.00 0.00 179.01 178.44 2kmf h PHE 99 N 0.44 0.67 -0.70 4.33 0.04 -1.15 -2.05 116.94 118.52 2kmf h PHE 99 Ca 0.26 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.90 2kmf h PHE 99 Cb 0.24 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 2kmf h PHE 99 CO -0.14 0.77 0.46 1.15 -0.60 0.00 0.00 178.31 179.95 2kmf h THR 100 N 0.54 1.15 -0.10 -1.55 2.02 -0.60 0.20 112.91 114.56 2kmf h THR 100 Ca 0.08 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 2kmf h THR 100 Cb 0.66 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2kmf h THR 100 CO 0.05 0.17 -0.46 1.56 0.37 0.00 0.00 175.52 177.21 2kmf h GLN 101 N 0.92 0.25 0.13 6.66 4.20 -1.07 -1.78 115.11 124.42 2kmf h GLN 101 Ca 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 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 -0.07 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.69 2kmf h ALA 102 N 1.32 -0.18 -0.91 3.87 0.00 -0.60 -1.22 119.26 121.53 2kmf h ALA 102 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kmf h ALA 102 Cb 0.89 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2kmf h ALA 102 CO 0.07 -0.30 0.51 1.05 0.00 0.00 0.00 179.25 180.58 2kmf h GLU 103 N -0.77 1.25 -0.43 0.00 4.11 -0.70 -2.03 114.58 116.01 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 0.54 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kmf h GLU 103 CO 0.03 0.90 -0.10 0.00 0.07 0.00 0.00 179.01 179.91 2kmf h ARG 104 N 1.26 0.77 0.00 1.06 3.08 -1.39 -2.48 114.38 116.68 2kmf h ARG 104 Ca 0.32 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2kmf h ARG 104 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2kmf h ARG 104 CO -0.05 0.84 -0.12 0.77 -1.07 0.00 0.00 179.97 180.34 2kmf h SER 105 N 0.70 0.00 -0.58 7.04 0.02 -0.52 -2.52 113.55 117.69 2kmf h SER 105 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2kmf h SER 105 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2kmf h SER 105 CO 0.04 0.12 0.23 0.40 -1.14 0.00 0.00 176.83 176.47 2kmf h ILE 106 N 0.00 1.23 -0.49 3.27 1.08 -0.95 0.21 117.51 121.86 2kmf h ILE 106 Ca -0.00 -0.71 0.10 0.00 -0.39 0.00 0.00 64.86 63.86 2kmf h ILE 106 Cb 0.22 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 2kmf h ILE 106 CO 0.02 0.27 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.40 2kmf h GLU 107 N 0.80 0.09 0.00 2.37 4.39 -1.49 0.17 114.58 120.91 2kmf h GLU 107 Ca 0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2kmf h GLU 107 Cb 0.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2kmf h GLU 107 CO -0.02 0.06 0.00 0.07 -1.16 0.00 0.00 179.01 177.97 2kmf h ARG 108 N 0.10 0.00 -5.81 2.33 0.11 -1.58 -3.48 114.38 106.04 2kmf h ARG 108 Ca 0.25 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.10 2kmf h ARG 108 Cb 0.37 0.00 0.06 0.00 1.11 0.00 0.00 29.97 31.51 2kmf h ARG 108 CO -0.42 0.00 -0.55 0.41 0.10 0.00 0.00 179.97 179.50 2kmf n GLY 109 N 1.22 -1.19 0.00 0.08 0.00 0.73 -5.12 105.19 100.90 2kmf n GLY 109 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65