#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 2.98 0.17 1.61 0.04 -1.26 -4.95 135.00 133.58 2kmf s PRO -3 Ca 0.00 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 2kmf s PRO -3 Cb 0.00 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.64 2kmf s PRO -3 CO 0.00 -1.14 1.74 1.25 0.04 0.00 0.00 177.00 178.89 2kmf h LEU -2 N 0.55 0.75 0.00 -3.56 5.85 -2.09 -3.48 115.31 113.32 2kmf h LEU -2 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2kmf h LEU -2 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kmf h LEU -2 CO 0.55 0.69 0.00 0.61 -0.34 0.00 0.00 178.44 179.94 2kmf n GLY -1 N -0.88 4.49 3.78 3.75 0.00 -1.26 -5.12 105.19 109.95 2kmf n GLY -1 Ca 0.03 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 5.95 -0.54 1.61 0.01 -1.26 -4.99 113.70 114.48 2kmf s SER 0 Ca 0.00 2.09 -0.18 0.00 1.31 0.00 0.00 55.95 59.17 2kmf s SER 0 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.74 2kmf s SER 0 CO 0.00 -1.06 0.60 0.00 0.41 0.00 0.00 173.24 173.19 2kmf s ASP 2 N 3.15 7.42 0.29 0.00 1.01 -1.26 -5.01 116.67 122.27 2kmf s ASP 2 Ca 0.10 1.81 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 2kmf s ASP 2 Cb -0.23 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.03 2kmf s ASP 2 CO 0.08 0.06 1.41 -0.94 0.21 0.00 0.00 175.17 175.99 2kmf s SER 3 N -1.40 6.65 0.45 0.27 1.04 -1.26 -4.71 113.70 114.73 2kmf s SER 3 Ca 0.44 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.60 2kmf s SER 3 Cb -0.22 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2kmf s SER 3 CO 0.27 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2kmf n GLY 4 N 1.57 -3.84 0.21 7.32 0.00 -1.26 -4.63 105.19 104.56 2kmf n GLY 4 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 0.26 1.26 0.00 2.61 1.35 -1.93 -3.45 112.91 113.00 2kmf h THR 5 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2kmf h THR 5 Cb 0.67 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2kmf h THR 5 CO 0.00 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2kmf n GLY 6 N -0.49 0.40 3.76 5.82 0.00 -1.26 -4.93 105.19 108.50 2kmf n GLY 6 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.03 0.00 0.99 1.43 -1.26 -4.93 118.68 118.94 2kmf s LEU 7 Ca 0.00 2.54 0.17 0.00 -1.03 0.00 0.00 54.13 55.81 2kmf s LEU 7 Cb 0.00 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.13 2kmf s LEU 7 CO 0.00 -1.08 0.94 0.35 0.23 0.00 0.00 176.35 176.79 2kmf n THR 8 N -0.44 0.00 -0.31 5.49 -2.24 -1.26 -4.96 114.28 110.56 2kmf n THR 8 Ca 0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2kmf n THR 8 Cb 0.46 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 2kmf n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmf n GLY 9 N 1.08 0.90 3.43 3.38 0.00 -1.26 -5.02 105.19 107.70 2kmf n GLY 9 Ca 0.08 0.00 -0.44 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 -2.96 6.21 0.64 1.61 6.03 -1.26 -4.90 114.94 120.30 2kmf s ASN 10 Ca 0.00 -1.05 0.17 0.00 -1.03 0.00 0.00 52.86 50.94 2kmf s ASN 10 Cb 0.00 -2.28 0.75 0.00 -3.03 0.00 0.00 41.25 36.69 2kmf s ASN 10 CO 0.00 -0.91 1.37 0.22 -2.03 0.00 0.00 177.10 175.75 2kmf h TYR 11 N 9.01 0.00 0.30 1.54 5.03 -1.96 0.57 116.97 131.45 2kmf h TYR 11 Ca -0.28 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.02 2kmf h TYR 11 Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2kmf h TYR 11 CO 0.76 0.00 -0.14 0.77 -1.32 0.00 0.00 178.16 178.23 2kmf h SER 12 N 0.00 -0.34 0.78 -2.11 0.02 -1.97 -3.17 113.55 106.77 2kmf h SER 12 Ca 0.16 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 2kmf h SER 12 Cb 1.88 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.49 2kmf h SER 12 CO -0.00 0.00 -0.97 1.56 -1.14 0.00 0.00 176.83 176.28 2kmf h GLN 13 N -0.88 0.10 -0.71 3.45 4.20 -1.60 -3.29 115.11 116.38 2kmf h GLN 13 Ca -0.04 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.60 2kmf h GLN 13 Cb 0.30 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2kmf h GLN 13 CO 0.07 0.98 0.39 -0.44 -0.67 0.00 0.00 178.83 179.16 2kmf h ASP 14 N 0.04 0.56 -0.54 1.46 3.32 -0.09 0.46 116.42 121.64 2kmf h ASP 14 Ca -0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kmf h ASP 14 Cb 1.66 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 2kmf h ASP 14 CO 0.14 0.35 0.28 0.74 -1.72 0.00 0.00 179.24 179.03 2kmf h THR 15 N 0.70 1.19 -0.65 0.35 2.02 -1.61 -2.10 112.91 112.80 2kmf h THR 15 Ca 0.33 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 2kmf h THR 15 Cb 0.25 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2kmf h THR 15 CO -0.21 0.20 0.08 0.25 0.37 0.00 0.00 175.52 176.21 2kmf h LEU 16 N 0.72 1.04 -0.04 2.58 5.85 -1.32 -1.94 115.31 122.20 2kmf h LEU 16 Ca 0.19 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2kmf h LEU 16 Cb 0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2kmf h LEU 16 CO -0.03 1.04 -0.02 0.74 -0.34 0.00 0.00 178.44 179.84 2kmf h THR 17 N 1.00 0.94 -0.61 1.05 2.02 0.29 0.39 112.91 117.99 2kmf h THR 17 Ca 0.19 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 2kmf h THR 17 Cb 0.46 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2kmf h THR 17 CO 0.02 0.00 0.11 1.62 0.37 0.00 0.00 175.52 177.63 2kmf h VAL 18 N -0.01 1.25 -0.17 3.16 3.04 -1.35 -1.62 116.25 120.55 2kmf h VAL 18 Ca 0.02 -0.96 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 2kmf h VAL 18 Cb 0.05 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 2kmf h VAL 18 CO -0.05 0.36 0.06 0.40 -1.01 0.00 0.00 177.57 177.33 2kmf h ILE 19 N 0.93 1.17 -0.90 3.17 2.04 -0.90 0.16 117.51 123.19 2kmf h ILE 19 Ca 0.19 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kmf h ILE 19 Cb 0.39 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2kmf h ILE 19 CO 0.01 0.16 0.59 0.00 0.00 0.00 0.00 178.15 178.91 2kmf h ALA 20 N 0.89 1.38 -0.22 1.87 0.00 -0.04 0.32 119.26 123.47 2kmf h ALA 20 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kmf h ALA 20 Cb 0.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kmf h ALA 20 CO -0.00 0.56 -0.24 1.15 0.00 0.00 0.00 179.25 180.71 2kmf h THR 21 N 1.19 1.33 -0.39 0.00 2.02 -1.03 -2.69 112.91 113.33 2kmf h THR 21 Ca 0.34 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 2kmf h THR 21 Cb -0.09 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2kmf h THR 21 CO -0.08 0.44 0.00 -0.07 0.37 0.00 0.00 175.52 176.18 2kmf h LEU 22 N 0.23 0.67 -0.05 2.58 3.38 -0.18 -0.22 115.31 121.72 2kmf h LEU 22 Ca 0.03 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2kmf h LEU 22 Cb 0.80 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2kmf h LEU 22 CO 0.06 0.81 -0.04 0.03 0.09 0.00 0.00 178.44 179.39 2kmf h ARG 23 N 0.51 -0.05 -0.12 1.13 3.08 -0.41 -1.01 114.38 117.51 2kmf h ARG 23 Ca 0.11 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2kmf h ARG 23 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2kmf h ARG 23 CO 0.02 -0.03 -0.41 1.05 -1.07 0.00 0.00 179.97 179.53 2kmf h GLU 24 N -0.05 0.27 0.03 0.04 4.11 -1.47 -1.20 114.58 116.30 2kmf h GLU 24 Ca 0.03 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2kmf h GLU 24 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kmf h GLU 24 CO -0.08 0.64 -0.01 0.00 0.07 0.00 0.00 179.01 179.63 2kmf h ALA 25 N 1.35 -0.03 0.00 1.06 0.00 -0.56 -2.09 119.26 118.98 2kmf h ALA 25 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kmf h ALA 25 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kmf h ALA 25 CO 0.06 -0.45 0.00 -0.84 0.00 0.00 0.00 179.25 178.03 2kmf h ILE 26 N -0.18 0.00 -0.29 0.00 3.07 -1.18 -2.97 117.51 115.96 2kmf h ILE 26 Ca -0.00 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2kmf h ILE 26 Cb 0.16 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 2kmf h ILE 26 CO 0.01 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.44 2kmf n ASP 27 N -2.77 1.96 -4.83 2.16 2.03 -0.46 -4.91 116.55 109.73 2kmf n ASP 27 Ca 0.04 -1.87 -0.33 0.00 0.52 0.00 0.00 54.79 53.15 2kmf n ASP 27 Cb 0.45 -0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 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 -1.27 3.72 0.51 -2.67 2.34 -0.81 -5.00 118.68 115.50 2kmf s LEU 28 Ca 0.29 1.64 -0.20 0.00 0.06 0.00 0.00 54.13 55.93 2kmf s LEU 28 Cb 0.16 -4.52 -0.07 0.00 -0.56 0.00 0.00 46.19 41.19 2kmf s LEU 28 CO 0.22 -0.57 1.06 -2.16 -1.06 0.00 0.00 176.35 173.85 2kmf s PRO 29 N -3.77 3.64 0.63 1.48 0.04 -1.26 -4.92 135.00 130.84 2kmf s PRO 29 Ca 0.61 1.41 0.41 0.00 0.04 0.00 0.00 61.00 63.47 2kmf s PRO 29 Cb -0.10 -2.07 2.09 0.00 0.04 0.00 0.00 34.50 34.46 2kmf s PRO 29 CO 0.26 -0.58 2.25 1.96 0.04 0.00 0.00 177.00 180.93 2kmf h GLN 30 N 1.35 0.00 -0.08 4.56 7.50 -1.98 0.93 115.11 127.39 2kmf h GLN 30 Ca -0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.66 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 0.58 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.66 2kmf n ASP 31 N -3.08 1.16 -4.69 1.46 8.00 -1.26 -4.89 116.55 113.25 2kmf n ASP 31 Ca -0.02 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 2kmf n ASP 31 Cb 0.15 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.90 3.71 -0.37 2.24 0.00 0.32 -4.88 121.76 120.88 2kmf s ALA 32 Ca 0.35 1.30 0.27 0.00 0.00 0.00 0.00 51.96 53.88 2kmf s ALA 32 Cb 0.18 -3.73 0.92 0.00 0.00 0.00 0.00 23.12 20.49 2kmf s ALA 32 CO 0.28 -1.18 1.78 -1.00 0.00 0.00 0.00 175.76 175.65 2kmf h PRO 33 N 8.54 0.00 -0.60 0.00 0.13 -1.90 -2.95 132.00 135.22 2kmf h PRO 33 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.94 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.98 2kmf n ASN 34 N -2.66 5.59 -0.20 1.44 6.94 -1.26 -4.44 115.26 120.67 2kmf n ASN 34 Ca 0.03 -2.90 -0.09 0.00 -0.02 0.00 0.00 54.58 51.60 2kmf n ASN 34 Cb 0.36 -0.68 0.02 0.00 -2.36 0.00 0.00 39.78 37.11 2kmf n ASN 34 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2kmf h ARG 35 N 3.86 0.94 -0.11 -3.83 2.43 -1.88 0.48 114.38 116.26 2kmf h ARG 35 Ca 0.00 -0.25 -0.23 0.00 -0.81 0.00 0.00 59.98 58.69 2kmf h ARG 35 Cb 1.94 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2kmf h ARG 35 CO 0.48 0.90 -0.83 0.37 -1.51 0.00 0.00 179.97 179.38 2kmf h GLN 36 N 0.83 0.71 -0.10 0.20 5.75 -1.85 -2.95 115.11 117.69 2kmf h GLN 36 Ca 0.17 -0.61 -0.08 0.00 -0.15 0.00 0.00 58.65 57.98 2kmf h GLN 36 Cb 0.41 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2kmf h GLN 36 CO 0.01 1.22 -0.25 1.49 -2.65 0.00 0.00 178.83 178.65 2kmf h GLU 37 N 0.47 0.34 -0.29 1.69 4.57 -1.80 -3.21 114.58 116.36 2kmf h GLU 37 Ca -0.06 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2kmf h GLU 37 Cb 1.45 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 2kmf h GLU 37 CO 0.16 0.85 0.13 -0.24 -1.18 0.00 0.00 179.01 178.73 2kmf h VAL 38 N -0.11 1.11 -0.47 0.32 3.04 -0.15 -2.17 116.25 117.83 2kmf h VAL 38 Ca -0.00 -0.31 0.04 0.00 -1.01 0.00 0.00 66.70 65.42 2kmf h VAL 38 Cb 0.86 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 30.85 2kmf h VAL 38 CO 0.05 0.12 0.22 1.56 -1.01 0.00 0.00 177.57 178.52 2kmf h GLN 39 N 0.40 0.43 -0.45 4.17 4.20 -1.52 -0.84 115.11 121.50 2kmf h GLN 39 Ca 0.10 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 2kmf h GLN 39 Cb 0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2kmf h GLN 39 CO -0.01 0.29 0.04 -0.44 -0.67 0.00 0.00 178.83 178.04 2kmf h ASP 40 N 0.44 0.67 -0.01 1.46 3.32 -1.44 0.18 116.42 121.04 2kmf h ASP 40 Ca 0.21 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2kmf h ASP 40 Cb 0.13 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kmf h ASP 40 CO -0.16 0.71 0.01 0.74 -1.72 0.00 0.00 179.24 178.81 2kmf h THR 41 N 0.67 1.03 -0.47 0.35 2.02 -0.88 -1.53 112.91 114.10 2kmf h THR 41 Ca 0.14 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 2kmf h THR 41 Cb 0.35 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2kmf h THR 41 CO 0.01 0.02 -0.15 0.00 0.37 0.00 0.00 175.52 175.77 2kmf h ALA 42 N 0.97 0.85 -0.76 6.16 0.00 -1.01 -2.72 119.26 122.73 2kmf h ALA 42 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.67 2kmf h ALA 42 Cb 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 2kmf h ALA 42 CO -0.00 0.65 0.39 -0.09 0.00 0.00 0.00 179.25 180.19 2kmf h ARG 43 N 0.79 0.61 -0.62 0.00 2.43 -0.66 0.92 114.38 117.85 2kmf h ARG 43 Ca 0.12 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2kmf h ARG 43 Cb 0.69 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2kmf h ARG 43 CO 0.05 0.40 0.15 0.78 -1.51 0.00 0.00 179.97 179.85 2kmf h GLY 44 N 0.63 1.08 1.02 2.80 0.00 -1.06 -2.31 103.07 105.23 2kmf h GLY 44 Ca 0.39 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2kmf h GLY 44 CO -0.29 0.63 0.37 1.46 0.00 0.00 0.00 176.54 178.71 2kmf h GLN 45 N 0.92 1.08 0.50 4.80 1.08 -0.81 0.24 115.11 122.91 2kmf h GLN 45 Ca 0.20 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2kmf h GLN 45 Cb 0.36 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2kmf h GLN 45 CO 0.00 0.83 -0.24 0.82 -0.95 0.00 0.00 178.83 179.30 2kmf h ILE 46 N 1.06 0.50 -0.42 2.54 2.04 -0.63 0.24 117.51 122.84 2kmf h ILE 46 Ca 0.26 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2kmf h ILE 46 Cb 0.10 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2kmf h ILE 46 CO -0.03 0.02 0.09 0.78 0.00 0.00 0.00 178.15 179.01 2kmf h ASN 47 N -0.75 0.66 -0.46 1.72 2.35 -1.35 -2.90 115.58 114.85 2kmf h ASN 47 Ca -0.07 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.38 2kmf h ASN 47 Cb 0.55 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2kmf h ASN 47 CO 0.11 0.73 0.09 0.44 -1.65 0.00 0.00 177.43 177.15 2kmf h ASP 48 N 0.55 0.77 0.97 5.81 5.19 -0.48 0.10 116.42 129.33 2kmf h ASP 48 Ca 0.13 -0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2kmf h ASP 48 Cb 0.34 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.66 2kmf h ASP 48 CO 0.00 0.78 -0.47 0.22 -3.12 0.00 0.00 179.24 176.65 2kmf h TYR 49 N 0.78 -1.21 -0.02 4.55 3.20 -0.34 -2.01 116.97 121.92 2kmf h TYR 49 Ca 0.17 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 2kmf h TYR 49 Cb 0.34 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2kmf h TYR 49 CO 0.02 -0.75 -0.58 -0.84 -1.64 0.00 0.00 178.16 174.36 2kmf h ILE 50 N -1.35 1.41 0.08 1.81 3.07 -1.54 -2.57 117.51 118.42 2kmf h ILE 50 Ca -0.13 -1.98 -0.00 0.00 1.55 0.00 0.00 64.86 64.29 2kmf h ILE 50 Cb 1.00 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 2kmf h ILE 50 CO 0.22 0.57 -0.04 -1.28 -1.05 0.00 0.00 178.15 176.57 2kmf h SER 51 N 0.04 -0.09 -0.13 2.16 0.87 -0.75 1.21 113.55 116.86 2kmf h SER 51 Ca -0.01 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 2kmf h SER 51 Cb 1.04 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2kmf h SER 51 CO 0.08 0.00 -0.50 0.08 -0.53 0.00 0.00 176.83 175.96 2kmf h ARG 52 N -0.18 0.70 -0.63 2.24 0.11 -1.41 -2.92 114.38 112.28 2kmf h ARG 52 Ca -0.01 -0.42 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2kmf h ARG 52 Cb 0.15 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2kmf h ARG 52 CO 0.02 1.04 0.00 0.66 0.10 0.00 0.00 179.97 181.78 2kmf n TYR 53 N -4.00 1.21 -0.12 4.08 4.01 -0.97 -4.37 117.16 117.00 2kmf n TYR 53 Ca -0.03 -0.47 -0.08 0.00 -0.16 0.00 0.00 57.90 57.16 2kmf n TYR 53 Cb 0.59 -0.24 -0.01 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 3.08 0.50 -0.02 -0.72 9.65 0.17 -1.67 114.38 125.38 2kmf h ARG 54 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2kmf h ARG 54 Cb 1.24 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2kmf h ARG 54 CO 0.21 0.37 0.00 2.89 2.80 0.00 0.00 179.97 186.24 2kmf n ARG 55 N -4.80 1.26 -0.10 0.20 1.85 -1.26 -2.64 116.66 111.17 2kmf n ARG 55 Ca -0.00 -0.38 -0.09 0.00 -1.00 0.00 0.00 57.85 56.38 2kmf n ARG 55 Cb 0.05 -1.45 -0.01 0.00 -1.05 0.00 0.00 32.46 29.99 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 0.88 0.45 0.00 2.89 3.64 -1.56 -3.43 116.57 119.45 2kmf h LYS 56 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kmf h LYS 56 Cb 0.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2kmf h LYS 56 CO 0.00 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 177.93 2kmf n GLY 57 N -1.09 0.30 2.38 5.01 0.00 -1.25 -4.98 105.19 105.56 2kmf n GLY 57 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.29 -0.46 1.61 5.75 -1.08 -4.36 116.55 116.73 2kmf n ASP 58 Ca 0.00 0.43 0.06 0.00 -0.01 0.00 0.00 54.79 55.27 2kmf n ASP 58 Cb 0.11 -1.26 -0.02 0.00 -1.03 0.00 0.00 41.12 38.92 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmf n ALA 59 N -2.33 -1.19 -0.10 2.12 0.00 -1.26 -4.97 120.51 112.78 2kmf n ALA 59 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kmf n ALA 59 Cb 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.07 0.54 0.97 0.00 0.00 -1.26 -4.84 105.19 97.53 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 3.65 -0.02 0.00 -1.26 -5.06 105.19 100.50 2kmf n GLY 61 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.48 4.01 0.12 0.99 1.02 -1.26 -4.99 118.68 114.08 2kmf s LEU 62 Ca 0.00 0.10 -0.16 0.00 0.02 0.00 0.00 54.13 54.09 2kmf s LEU 62 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 2kmf s LEU 62 CO 0.00 0.10 1.58 0.50 0.02 0.00 0.00 176.35 178.55 2kmf h LYS 63 N 7.23 0.63 -0.23 1.70 1.63 -1.96 -0.49 116.57 125.07 2kmf h LYS 63 Ca -0.38 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.23 2kmf h LYS 63 Cb 1.17 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 2kmf h LYS 63 CO 0.68 0.72 0.13 1.03 -3.45 0.00 0.00 179.45 178.55 2kmf h SER 64 N 0.46 0.29 -0.32 4.20 0.87 -1.88 0.37 113.55 117.55 2kmf h SER 64 Ca 0.11 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2kmf h SER 64 Cb 0.42 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2kmf h SER 64 CO 0.01 0.29 0.12 0.15 -0.53 0.00 0.00 176.83 176.87 2kmf h PHE 65 N 0.27 0.49 -0.18 2.24 3.57 -1.94 0.40 116.94 121.80 2kmf h PHE 65 Ca 0.08 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kmf h PHE 65 Cb 0.07 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2kmf h PHE 65 CO -0.03 0.48 0.05 1.15 -2.23 0.00 0.00 178.31 177.73 2kmf h THR 66 N 0.36 1.19 -0.32 4.41 2.02 -0.94 0.30 112.91 119.93 2kmf h THR 66 Ca 0.10 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2kmf h THR 66 Cb 0.21 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2kmf h THR 66 CO -0.01 0.19 0.12 0.74 0.37 0.00 0.00 175.52 176.93 2kmf h THR 67 N 0.11 1.19 -0.56 3.16 2.02 -0.16 -2.90 112.91 115.76 2kmf h THR 67 Ca 0.06 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 2kmf h THR 67 Cb 0.24 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2kmf h THR 67 CO -0.00 0.21 0.18 0.24 0.37 0.00 0.00 175.52 176.51 2kmf h MET 68 N 0.37 0.87 -0.18 6.66 2.07 -0.10 -0.30 114.93 124.33 2kmf h MET 68 Ca 0.11 -0.19 0.04 0.00 -2.07 0.00 0.00 59.70 57.59 2kmf h MET 68 Cb 0.21 -0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 29.74 2kmf h MET 68 CO -0.01 0.79 -0.51 0.37 1.07 0.00 0.00 176.91 178.62 2kmf h GLN 69 N 0.79 -0.51 -0.30 1.72 4.15 -0.20 0.60 115.11 121.36 2kmf h GLN 69 Ca 0.18 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 2kmf h GLN 69 Cb 0.28 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2kmf h GLN 69 CO -0.01 -0.34 -0.00 1.15 -1.93 0.00 0.00 178.83 177.70 2kmf h THR 70 N -0.53 1.26 0.16 2.39 2.02 -1.47 -1.09 112.91 115.64 2kmf h THR 70 Ca 0.05 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2kmf h THR 70 Cb 0.66 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2kmf h THR 70 CO -0.45 0.30 -0.16 0.00 0.37 0.00 0.00 175.52 175.58 2kmf h ALA 71 N 0.83 -0.32 -0.61 6.16 0.00 -0.54 0.32 119.26 125.10 2kmf h ALA 71 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 71 Cb 0.44 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2kmf h ALA 71 CO 0.02 -0.70 0.21 -0.07 0.00 0.00 0.00 179.25 178.70 2kmf h LEU 72 N -0.35 0.88 -1.10 0.00 4.07 0.16 -2.48 115.31 116.49 2kmf h LEU 72 Ca 0.00 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 57.72 2kmf h LEU 72 Cb 0.33 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2kmf h LEU 72 CO -0.04 0.84 0.07 0.78 -1.08 0.00 0.00 178.44 179.00 2kmf h ASN 73 N 0.87 0.66 0.62 -0.43 2.35 -0.94 0.75 115.58 119.46 2kmf h ASN 73 Ca 0.20 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2kmf h ASN 73 Cb 0.26 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.47 2kmf h ASN 73 CO -0.01 0.69 -0.30 0.28 -1.65 0.00 0.00 177.43 176.44 2kmf h SER 74 N 0.68 -0.71 0.97 5.81 0.02 0.03 -2.96 113.55 117.38 2kmf h SER 74 Ca 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2kmf h SER 74 Cb 0.32 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kmf h SER 74 CO 0.00 -0.42 -0.11 0.17 -1.14 0.00 0.00 176.83 175.33 2kmf h LEU 75 N -0.97 0.00 -1.09 5.07 8.10 -1.43 -2.94 115.31 122.05 2kmf h LEU 75 Ca -0.09 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.93 2kmf h LEU 75 Cb 0.68 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.85 2kmf h LEU 75 CO 0.14 0.11 0.61 0.00 -4.11 0.00 0.00 178.44 175.20 2kmf h ALA 76 N 1.89 1.37 -0.24 0.17 0.00 -0.69 -1.87 119.26 119.89 2kmf h ALA 76 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2kmf h ALA 76 Cb 0.63 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kmf h ALA 76 CO 0.01 0.57 -0.36 0.78 0.00 0.00 0.00 179.25 180.26 2kmf h GLY 77 N 1.22 0.58 0.51 0.00 0.00 -1.39 -3.09 103.07 100.90 2kmf h GLY 77 Ca 0.35 -0.54 0.09 0.00 0.00 0.00 0.00 47.33 47.24 2kmf h GLY 77 CO -0.09 0.49 0.44 -0.97 0.00 0.00 0.00 176.54 176.41 2kmf h TYR 78 N 0.45 0.79 -0.65 5.60 -1.99 -1.40 2.29 116.97 122.07 2kmf h TYR 78 Ca 0.05 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 2kmf h TYR 78 Cb 0.83 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 2kmf h TYR 78 CO 0.03 0.32 0.35 1.88 -0.00 0.00 0.00 178.16 180.73 2kmf h TYR 79 N 0.74 0.90 0.00 4.88 0.05 -1.44 -2.44 116.97 119.65 2kmf h TYR 79 Ca 0.38 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2kmf h TYR 79 Cb 0.36 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2kmf h TYR 79 CO -0.07 0.65 -0.50 0.25 -1.05 0.00 0.00 178.16 177.43 2kmf n THR 80 N -4.53 0.34 0.05 -2.88 -2.24 -0.58 -1.24 114.28 103.20 2kmf n THR 80 Ca 0.05 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2kmf n THR 80 Cb 0.10 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 2kmf n THR 80 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kmf h SER 81 N 0.00 -0.10 0.00 3.42 0.02 0.43 -3.34 113.55 113.98 2kmf h SER 81 Ca 0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2kmf h SER 81 Cb 0.71 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2kmf h SER 81 CO 0.00 -0.06 -1.47 -1.22 -1.14 0.00 0.00 176.83 172.95 2kmf n TYR 82 N -5.14 0.00 0.00 3.45 4.02 -1.21 -5.02 117.16 113.26 2kmf n TYR 82 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2kmf n TYR 82 Cb 0.08 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 2kmf n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kmf n GLY 83 N 2.29 3.30 2.67 2.72 0.00 -0.37 -4.72 105.19 111.08 2kmf n GLY 83 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.27 -1.48 -3.40 4.61 0.00 -1.26 -4.91 120.51 112.80 2kmf n ALA 84 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 2kmf n ALA 84 Cb 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 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 0.08 2.54 -0.10 0.00 3.52 -1.26 -5.07 118.95 118.66 2kmf s ARG 85 Ca 0.10 -1.22 -0.39 0.00 -0.13 0.00 0.00 55.73 54.09 2kmf s ARG 85 Cb 0.18 -3.35 -0.17 0.00 -1.56 0.00 0.00 34.95 30.05 2kmf s ARG 85 CO -0.05 -0.65 1.47 -2.30 -0.81 0.00 0.00 175.30 172.96 2kmf n PRO 86 N 4.74 0.91 -1.67 5.12 -0.02 -1.26 -4.81 135.00 138.00 2kmf n PRO 86 Ca -0.13 0.33 -0.47 0.00 -2.02 0.00 0.00 63.50 61.21 2kmf n PRO 86 Cb 0.44 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 2kmf n PRO 86 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kmf n ILE 87 N 3.26 0.25 -1.41 4.25 5.41 -1.26 -4.89 119.36 124.96 2kmf n ILE 87 Ca 0.23 -0.05 -0.38 0.00 1.00 0.00 0.00 62.75 63.55 2kmf n ILE 87 Cb 0.13 -1.66 0.04 0.00 -0.71 0.00 0.00 39.64 37.44 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 4.80 0.42 0.07 0.38 -0.02 -1.26 -4.70 135.00 134.69 2kmf n PRO 88 Ca 0.19 0.17 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2kmf n PRO 88 Cb 0.29 -1.62 0.41 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.13 0.38 -0.22 -0.52 3.07 -1.99 -1.14 114.58 114.28 2kmf h GLU 89 Ca -0.45 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 2kmf h GLU 89 Cb 1.40 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 2kmf h GLU 89 CO 0.46 0.36 0.12 0.87 -1.40 0.00 0.00 179.01 179.42 2kmf h LYS 90 N 0.38 0.32 -0.51 2.33 1.57 -2.01 -2.14 116.57 116.51 2kmf h LYS 90 Ca 0.09 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2kmf h LYS 90 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kmf h LYS 90 CO -0.00 0.30 -0.15 1.25 -0.57 0.00 0.00 179.45 180.28 2kmf h LEU 91 N 0.25 1.01 -0.58 2.94 5.85 -1.80 -2.97 115.31 120.00 2kmf h LEU 91 Ca 0.08 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.54 2kmf h LEU 91 Cb 0.08 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2kmf h LEU 91 CO -0.01 1.14 0.18 0.50 -0.34 0.00 0.00 178.44 179.91 2kmf h LYS 92 N 0.87 0.33 -0.57 1.25 3.64 -0.96 0.15 116.57 121.28 2kmf h LYS 92 Ca 0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2kmf h LYS 92 Cb 0.72 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2kmf h LYS 92 CO 0.06 0.22 0.29 0.87 -2.27 0.00 0.00 179.45 178.62 2kmf h LYS 93 N 0.34 0.80 -0.41 1.90 1.57 -1.30 -0.42 116.57 119.06 2kmf h LYS 93 Ca 0.30 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2kmf h LYS 93 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2kmf h LYS 93 CO -0.33 0.64 0.17 -0.09 -0.57 0.00 0.00 179.45 179.27 2kmf h ARG 94 N 0.77 0.60 -0.79 3.15 2.43 -1.13 -2.85 114.38 116.55 2kmf h ARG 94 Ca 0.20 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2kmf h ARG 94 Cb 0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2kmf h ARG 94 CO -0.03 0.55 0.36 -0.07 -1.51 0.00 0.00 179.97 179.27 2kmf h LEU 95 N 0.51 1.06 -0.75 3.80 3.38 -0.50 -2.40 115.31 120.41 2kmf h LEU 95 Ca 0.14 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2kmf h LEU 95 Cb 0.17 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 2kmf h LEU 95 CO -0.01 0.91 0.35 1.56 0.09 0.00 0.00 178.44 181.34 2kmf h GLN 96 N 1.13 0.53 -0.57 1.13 1.08 -0.85 -0.50 115.11 117.06 2kmf h GLN 96 Ca 0.27 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.34 2kmf h GLN 96 Cb 0.15 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2kmf h GLN 96 CO -0.03 0.35 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.11 2kmf h LEU 97 N 0.55 1.01 -0.61 1.46 3.38 -1.30 -2.20 115.31 117.60 2kmf h LEU 97 Ca 0.39 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2kmf h LEU 97 Cb 0.52 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2kmf h LEU 97 CO -0.34 1.08 0.31 -0.33 0.09 0.00 0.00 178.44 179.26 2kmf h GLU 98 N 0.91 0.56 -0.27 1.13 4.39 -0.65 -1.21 114.58 119.44 2kmf h GLU 98 Ca 0.16 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 2kmf h GLU 98 Cb 0.58 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kmf h GLU 98 CO 0.03 0.37 -0.28 0.74 -1.16 0.00 0.00 179.01 178.71 2kmf h PHE 99 N 0.58 0.62 -0.72 4.33 0.04 -1.17 -2.26 116.94 118.36 2kmf h PHE 99 Ca 0.28 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.91 2kmf h PHE 99 Cb 0.21 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 2kmf h PHE 99 CO -0.10 0.77 0.47 1.15 -0.60 0.00 0.00 178.31 180.01 2kmf h THR 100 N 0.47 1.19 -0.07 -1.55 2.02 -0.61 0.13 112.91 114.49 2kmf h THR 100 Ca 0.06 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 2kmf h THR 100 Cb 0.74 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2kmf h THR 100 CO 0.06 0.18 -0.44 1.56 0.37 0.00 0.00 175.52 177.26 2kmf h GLN 101 N 0.98 0.16 0.07 6.66 4.20 -1.09 -2.57 115.11 123.51 2kmf h GLN 101 Ca 0.26 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kmf h GLN 101 Cb -0.10 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2kmf h GLN 101 CO -0.06 0.57 -0.03 0.00 -0.67 0.00 0.00 178.83 178.64 2kmf h ALA 102 N 1.42 -0.09 -0.85 3.87 0.00 -0.73 -2.12 119.26 120.76 2kmf h ALA 102 Ca 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2kmf h ALA 102 Cb 0.83 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2kmf h ALA 102 CO 0.06 -0.20 0.56 1.05 0.00 0.00 0.00 179.25 180.73 2kmf h GLU 103 N -0.80 1.10 0.00 0.00 4.11 -0.83 -1.66 114.58 116.50 2kmf h GLU 103 Ca -0.01 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 2kmf h GLU 103 Cb 0.62 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kmf h GLU 103 CO 0.02 0.73 -0.39 0.07 0.07 0.00 0.00 179.01 179.50 2kmf h ARG 104 N 1.13 0.00 0.00 1.06 -0.00 -1.57 -2.84 114.38 112.16 2kmf h ARG 104 Ca 0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.23 2kmf h ARG 104 Cb -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.86 2kmf h ARG 104 CO -0.08 0.39 -0.32 0.77 -0.00 0.00 0.00 179.97 180.73 2kmf h SER 105 N 0.00 0.00 -0.57 0.08 0.02 -0.60 -3.06 113.55 109.42 2kmf h SER 105 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kmf h SER 105 Cb 1.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2kmf h SER 105 CO 0.05 0.32 0.29 0.40 -1.14 0.00 0.00 176.83 176.75 2kmf h ILE 106 N 0.00 1.20 -0.66 3.27 1.08 -1.13 -2.26 117.51 119.00 2kmf h ILE 106 Ca -0.00 -0.54 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 2kmf h ILE 106 Cb 0.81 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 2kmf h ILE 106 CO 0.04 0.22 0.21 -0.33 -0.69 0.00 0.00 178.15 177.60 2kmf h GLU 107 N 0.77 1.01 0.00 2.37 5.08 -1.65 -1.27 114.58 120.89 2kmf h GLU 107 Ca 0.20 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kmf h GLU 107 Cb 0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2kmf h GLU 107 CO -0.03 0.86 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.73 2kmf h ARG 108 N 0.97 0.00 -2.77 2.33 2.43 -1.43 -3.46 114.38 112.46 2kmf h ARG 108 Ca 0.22 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.08 2kmf h ARG 108 Cb 0.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2kmf h ARG 108 CO -0.01 0.03 -0.43 0.41 -1.51 0.00 0.00 179.97 178.46 2kmf n GLY 109 N -0.68 -0.26 0.00 2.80 0.00 -0.48 -5.12 105.19 101.46 2kmf n GLY 109 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65