#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 3.39 0.16 1.61 0.02 -1.26 -4.98 135.00 133.94 2kmf s PRO -3 Ca 0.00 2.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.12 2kmf s PRO -3 Cb 0.00 -2.45 -0.08 0.00 0.02 0.00 0.00 34.50 31.99 2kmf s PRO -3 CO 0.00 -1.04 0.79 -0.51 -0.33 0.00 0.00 177.00 175.91 2kmf s LEU -2 N -3.14 4.58 0.30 -5.54 2.01 -1.26 -4.95 118.68 110.68 2kmf s LEU -2 Ca 0.67 1.65 0.26 0.00 0.01 0.00 0.00 54.13 56.71 2kmf s LEU -2 Cb -0.43 -3.31 0.92 0.00 0.01 0.00 0.00 46.19 43.37 2kmf s LEU -2 CO 0.53 0.18 1.76 1.23 1.01 0.00 0.00 176.35 181.07 2kmf h GLY -1 N 4.47 0.00 -3.08 -3.19 0.00 -2.09 -3.49 103.07 95.69 2kmf h GLY -1 Ca -0.47 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.18 2kmf h GLY -1 CO 0.67 0.00 -0.85 -1.26 0.00 0.00 0.00 176.54 175.10 2kmf n SER 0 N -2.45 -7.29 -4.71 0.19 2.88 -1.26 -4.66 113.62 96.31 2kmf n SER 0 Ca 0.03 0.97 -0.42 0.00 -1.33 0.00 0.00 58.87 58.12 2kmf n SER 0 Cb 0.34 -4.31 -0.03 0.00 -0.75 0.00 0.00 64.21 59.46 2kmf n SER 0 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kmf h ASP 2 N 7.00 1.00 -3.10 0.00 3.32 -2.04 -3.42 116.42 119.17 2kmf h ASP 2 Ca -0.40 -0.16 -0.53 0.00 0.02 0.00 0.00 57.03 55.96 2kmf h ASP 2 Cb 1.20 -0.26 0.08 0.00 0.22 0.00 0.00 39.33 40.57 2kmf h ASP 2 CO 0.84 0.88 0.94 -0.55 -1.72 0.00 0.00 179.24 179.63 2kmf s SER 3 N -6.24 6.36 0.02 6.45 0.15 -1.26 -4.99 113.70 114.19 2kmf s SER 3 Ca -0.13 2.94 -0.20 0.00 0.70 0.00 0.00 55.95 59.26 2kmf s SER 3 Cb 0.15 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2kmf s SER 3 CO 0.82 -0.95 0.46 -0.83 1.20 0.00 0.00 173.24 173.94 2kmf s GLY 4 N 0.74 -0.33 0.28 9.45 0.00 -1.26 -5.04 107.32 111.15 2kmf s GLY 4 Ca 0.67 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.94 2kmf s GLY 4 CO 0.43 0.25 1.70 -0.91 0.00 0.00 0.00 173.10 174.57 2kmf h THR 5 N 3.11 1.28 0.00 0.90 1.35 -1.94 -3.46 112.91 114.15 2kmf h THR 5 Ca -0.30 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2kmf h THR 5 Cb 1.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2kmf h THR 5 CO 0.42 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2kmf n GLY 6 N -0.30 0.19 3.77 5.82 0.00 -1.26 -4.95 105.19 108.44 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 4.09 0.00 0.99 1.43 -1.26 -4.94 118.68 118.99 2kmf s LEU 7 Ca 0.00 2.48 0.12 0.00 -1.03 0.00 0.00 54.13 55.70 2kmf s LEU 7 Cb 0.00 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 2kmf s LEU 7 CO 0.00 -0.93 0.68 0.35 0.23 0.00 0.00 176.35 176.68 2kmf n THR 8 N -0.25 0.00 0.00 5.49 -2.24 -1.26 -4.97 114.28 111.05 2kmf n THR 8 Ca 0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2kmf n THR 8 Cb 0.46 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 1.02 0.34 3.52 3.38 0.00 -1.26 -5.05 105.19 107.13 2kmf n GLY 9 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 6.30 0.62 1.61 6.03 -1.26 -4.91 114.94 120.85 2kmf s ASN 10 Ca 0.00 -0.34 0.28 0.00 -1.03 0.00 0.00 52.86 51.76 2kmf s ASN 10 Cb 0.00 -2.29 1.43 0.00 -3.03 0.00 0.00 41.25 37.36 2kmf s ASN 10 CO 0.00 -0.69 1.84 0.22 -2.03 0.00 0.00 177.10 176.43 2kmf h TYR 11 N 8.77 0.00 0.38 1.54 5.03 -1.97 0.53 116.97 131.26 2kmf h TYR 11 Ca -0.26 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 2kmf h TYR 11 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.39 2kmf h TYR 11 CO 0.71 0.00 -0.18 0.77 -1.32 0.00 0.00 178.16 178.13 2kmf h SER 12 N 0.00 -0.43 0.62 -2.11 0.02 -1.97 -3.08 113.55 106.60 2kmf h SER 12 Ca 0.16 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.94 2kmf h SER 12 Cb 1.15 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2kmf h SER 12 CO -0.00 -0.04 -0.84 -0.61 -1.14 0.00 0.00 176.83 174.20 2kmf h GLN 13 N -1.05 0.15 -0.63 3.45 4.15 -1.86 -3.27 115.11 116.04 2kmf h GLN 13 Ca -0.05 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.25 2kmf h GLN 13 Cb 0.39 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 2kmf h GLN 13 CO 0.09 0.90 0.38 -0.44 -1.93 0.00 0.00 178.83 177.83 2kmf h ASP 14 N 0.08 0.60 -0.58 -0.69 3.32 -0.09 0.34 116.42 119.40 2kmf h ASP 14 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kmf h ASP 14 Cb 1.46 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 2kmf h ASP 14 CO 0.12 0.41 0.36 0.74 -1.72 0.00 0.00 179.24 179.16 2kmf h THR 15 N 0.73 1.16 -0.50 0.35 2.02 -1.59 -1.80 112.91 113.28 2kmf h THR 15 Ca 0.26 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 2kmf h THR 15 Cb 0.07 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2kmf h THR 15 CO -0.12 0.16 -0.08 0.25 0.37 0.00 0.00 175.52 176.10 2kmf h LEU 16 N 0.78 0.89 -0.01 2.58 6.46 -1.43 -1.84 115.31 122.74 2kmf h LEU 16 Ca 0.21 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kmf h LEU 16 Cb -0.05 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.64 2kmf h LEU 16 CO -0.04 1.00 0.00 0.74 -0.62 0.00 0.00 178.44 179.52 2kmf h THR 17 N 0.82 0.99 -0.51 1.05 2.02 0.19 0.25 112.91 117.72 2kmf h THR 17 Ca 0.14 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 2kmf h THR 17 Cb 0.59 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2kmf h THR 17 CO 0.04 0.00 -0.03 1.62 0.37 0.00 0.00 175.52 177.52 2kmf h VAL 18 N 0.01 1.25 -0.18 3.16 3.04 -1.32 -2.16 116.25 120.05 2kmf h VAL 18 Ca 0.01 -1.09 -0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2kmf h VAL 18 Cb 0.00 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 2kmf h VAL 18 CO -0.01 0.39 0.08 0.40 -1.01 0.00 0.00 177.57 177.42 2kmf h ILE 19 N 0.80 1.15 -0.82 3.17 2.04 -0.95 0.49 117.51 123.38 2kmf h ILE 19 Ca 0.15 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2kmf h ILE 19 Cb 0.52 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 2kmf h ILE 19 CO 0.03 0.14 0.52 0.00 0.00 0.00 0.00 178.15 178.84 2kmf h ALA 20 N 0.93 1.09 -0.31 1.87 0.00 -0.34 0.39 119.26 122.89 2kmf h ALA 20 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kmf h ALA 20 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kmf h ALA 20 CO -0.01 0.32 0.03 1.15 0.00 0.00 0.00 179.25 180.75 2kmf h THR 21 N 1.00 1.24 -0.38 0.00 2.02 -1.11 -2.19 112.91 113.48 2kmf h THR 21 Ca 0.34 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 2kmf h THR 21 Cb 0.05 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kmf h THR 21 CO -0.13 0.28 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 2kmf h LEU 22 N 0.35 0.70 -0.08 2.58 3.38 -0.39 -0.53 115.31 121.31 2kmf h LEU 22 Ca 0.09 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2kmf h LEU 22 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kmf h LEU 22 CO 0.01 0.87 0.01 0.03 0.09 0.00 0.00 178.44 179.45 2kmf h ARG 23 N 0.52 0.04 -0.17 1.13 3.08 -0.20 -1.16 114.38 117.62 2kmf h ARG 23 Ca 0.10 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 2kmf h ARG 23 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2kmf h ARG 23 CO 0.03 0.03 -0.38 1.05 -1.07 0.00 0.00 179.97 179.62 2kmf h GLU 24 N 0.05 0.37 0.05 0.04 4.11 -1.40 -0.88 114.58 116.92 2kmf h GLU 24 Ca 0.04 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2kmf h GLU 24 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kmf h GLU 24 CO -0.05 0.70 -0.03 0.00 0.07 0.00 0.00 179.01 179.71 2kmf h ALA 25 N 1.28 -0.07 0.00 1.06 0.00 -0.68 -1.61 119.26 119.25 2kmf h ALA 25 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kmf h ALA 25 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kmf h ALA 25 CO 0.07 -0.50 0.00 -0.84 0.00 0.00 0.00 179.25 177.97 2kmf h ILE 26 N -0.14 0.00 -0.29 0.00 3.07 -1.21 -3.03 117.51 115.91 2kmf h ILE 26 Ca -0.01 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.58 2kmf h ILE 26 Cb 0.12 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 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 -2.93 2.00 -4.85 2.16 2.03 -0.34 -4.91 116.55 109.71 2kmf n ASP 27 Ca 0.04 -1.86 -0.32 0.00 0.52 0.00 0.00 54.79 53.17 2kmf n ASP 27 Cb 0.47 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.31 3.68 0.42 -2.67 2.34 -0.63 -4.99 118.68 115.52 2kmf s LEU 28 Ca 0.30 1.48 -0.23 0.00 0.06 0.00 0.00 54.13 55.74 2kmf s LEU 28 Cb 0.16 -4.40 -0.09 0.00 -0.56 0.00 0.00 46.19 41.30 2kmf s LEU 28 CO 0.23 -0.54 1.04 -2.16 -1.06 0.00 0.00 176.35 173.85 2kmf s PRO 29 N -4.00 4.09 0.00 1.48 0.04 -1.26 -4.91 135.00 130.44 2kmf s PRO 29 Ca 0.57 1.44 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2kmf s PRO 29 Cb -0.10 -2.41 0.23 0.00 0.04 0.00 0.00 34.50 32.26 2kmf s PRO 29 CO 0.31 -0.19 1.16 0.00 0.04 0.00 0.00 177.00 178.32 2kmf n GLN 30 N -0.32 0.00 0.12 4.56 0.00 -1.26 -0.91 117.38 119.57 2kmf n GLN 30 Ca 0.06 0.40 0.11 0.00 0.00 0.00 0.00 57.00 57.57 2kmf n GLN 30 Cb 0.51 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.27 2kmf n GLN 30 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2kmf h ASP 31 N 0.00 0.00 -1.87 2.61 1.82 -2.04 -3.47 116.42 113.46 2kmf h ASP 31 Ca 0.00 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 55.98 2kmf h ASP 31 Cb 0.09 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.12 2kmf h ASP 31 CO 0.00 0.02 0.97 0.00 -1.61 0.00 0.00 179.24 178.62 2kmf n ALA 32 N -2.18 0.47 0.49 -0.78 0.00 -0.09 -4.84 120.51 113.58 2kmf n ALA 32 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.91 2kmf n ALA 32 Cb 0.56 -2.37 0.46 0.00 0.00 0.00 0.00 19.45 18.09 2kmf n ALA 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kmf n PRO 33 N 5.69 0.22 -0.73 0.00 -0.04 -1.26 -2.77 135.00 136.11 2kmf n PRO 33 Ca 0.23 0.34 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 2kmf n PRO 33 Cb 0.23 -1.85 0.30 0.00 -0.04 0.00 0.00 33.50 32.14 2kmf n PRO 33 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kmf n ASN 34 N -2.25 4.57 -0.27 3.54 2.04 -1.26 -4.40 115.26 117.23 2kmf n ASN 34 Ca 0.03 -2.79 -0.05 0.00 -0.44 0.00 0.00 54.58 51.33 2kmf n ASN 34 Cb 0.31 -0.66 0.06 0.00 -2.53 0.00 0.00 39.78 36.96 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 2.84 1.04 -0.12 -3.83 2.43 -1.89 -2.01 114.38 112.84 2kmf h ARG 35 Ca 0.06 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2kmf h ARG 35 Cb 1.76 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 2kmf h ARG 35 CO 0.44 0.77 -0.34 1.96 -1.51 0.00 0.00 179.97 181.30 2kmf h GLN 36 N 1.03 0.23 -0.08 0.20 1.08 -1.87 -2.91 115.11 112.79 2kmf h GLN 36 Ca 0.26 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2kmf h GLN 36 Cb 0.04 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2kmf h GLN 36 CO -0.04 0.55 0.02 0.93 -0.95 0.00 0.00 178.83 179.33 2kmf h GLU 37 N 0.20 0.12 -0.26 1.46 5.08 -1.68 -2.34 114.58 117.16 2kmf h GLU 37 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kmf h GLU 37 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kmf h GLU 37 CO 0.05 0.32 0.11 -0.39 -1.00 0.00 0.00 179.01 178.10 2kmf h VAL 38 N -0.10 1.11 -0.12 3.13 -1.51 -1.39 0.21 116.25 117.58 2kmf h VAL 38 Ca 0.02 -0.32 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 2kmf h VAL 38 Cb 0.26 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2kmf h VAL 38 CO 0.00 0.12 0.04 1.56 -1.23 0.00 0.00 177.57 178.06 2kmf h GLN 39 N 0.37 0.18 -0.26 5.19 4.20 -1.29 0.38 115.11 123.87 2kmf h GLN 39 Ca 0.09 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2kmf h GLN 39 Cb 0.07 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2kmf h GLN 39 CO -0.01 0.30 -0.15 0.22 -0.67 0.00 0.00 178.83 178.52 2kmf h ASP 40 N 0.02 0.59 -0.45 1.46 1.82 -0.89 -1.13 116.42 117.83 2kmf h ASP 40 Ca 0.04 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.25 2kmf h ASP 40 Cb 0.19 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 2kmf h ASP 40 CO -0.00 0.88 0.26 0.74 -1.61 0.00 0.00 179.24 179.51 2kmf h THR 41 N 0.29 1.15 -0.66 2.25 2.02 -0.53 -2.59 112.91 114.84 2kmf h THR 41 Ca 0.06 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2kmf h THR 41 Cb 0.67 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2kmf h THR 41 CO 0.04 0.15 0.25 0.00 0.37 0.00 0.00 175.52 176.33 2kmf h ALA 42 N 1.11 0.87 -0.86 6.16 0.00 -0.20 -2.49 119.26 123.85 2kmf h ALA 42 Ca 0.16 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2kmf h ALA 42 Cb 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.46 2kmf h ALA 42 CO -0.03 0.50 0.45 -0.09 0.00 0.00 0.00 179.25 180.09 2kmf h ARG 43 N 0.95 0.63 -0.56 0.00 2.43 -0.85 0.23 114.38 117.21 2kmf h ARG 43 Ca 0.22 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2kmf h ARG 43 Cb 0.24 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2kmf h ARG 43 CO -0.01 0.42 0.27 0.78 -1.51 0.00 0.00 179.97 179.91 2kmf h GLY 44 N 0.65 0.87 0.98 2.80 0.00 -1.08 -1.49 103.07 105.79 2kmf h GLY 44 Ca 0.46 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2kmf h GLY 44 CO -0.35 0.41 0.13 1.46 0.00 0.00 0.00 176.54 178.19 2kmf h GLN 45 N 0.76 0.82 0.57 4.80 1.08 -0.64 0.28 115.11 122.77 2kmf h GLN 45 Ca 0.19 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2kmf h GLN 45 Cb 0.13 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2kmf h GLN 45 CO -0.02 0.78 -0.27 0.82 -0.95 0.00 0.00 178.83 179.18 2kmf h ILE 46 N 0.71 0.44 -0.44 2.54 2.04 -0.40 0.28 117.51 122.68 2kmf h ILE 46 Ca 0.16 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 2kmf h ILE 46 Cb 0.32 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2kmf h ILE 46 CO 0.00 0.01 -0.03 0.78 0.00 0.00 0.00 178.15 178.91 2kmf h ASN 47 N -0.79 0.78 -0.36 1.72 2.35 -1.28 -2.93 115.58 115.06 2kmf h ASN 47 Ca -0.08 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 2kmf h ASN 47 Cb 0.60 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2kmf h ASN 47 CO 0.13 0.91 0.05 -0.78 -1.65 0.00 0.00 177.43 176.09 2kmf h ASP 48 N 0.62 0.66 0.91 5.81 1.82 -0.40 0.13 116.42 125.97 2kmf h ASP 48 Ca 0.12 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 2kmf h ASP 48 Cb 0.53 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.38 2kmf h ASP 48 CO 0.03 0.70 -0.44 0.22 -1.61 0.00 0.00 179.24 178.13 2kmf h TYR 49 N 0.67 -1.14 0.00 0.28 3.20 -0.29 -2.10 116.97 117.59 2kmf h TYR 49 Ca 0.14 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 2kmf h TYR 49 Cb 0.34 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2kmf h TYR 49 CO 0.02 -0.71 -0.52 -0.84 -1.64 0.00 0.00 178.16 174.47 2kmf h ILE 50 N -1.33 1.29 0.05 1.81 3.07 -1.54 -2.51 117.51 118.36 2kmf h ILE 50 Ca -0.13 -1.83 -0.00 0.00 1.55 0.00 0.00 64.86 64.45 2kmf h ILE 50 Cb 0.94 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2kmf h ILE 50 CO 0.21 0.51 -0.03 -1.28 -1.05 0.00 0.00 178.15 176.51 2kmf h SER 51 N 0.00 -0.06 -0.18 2.16 0.87 -0.71 1.21 113.55 116.83 2kmf h SER 51 Ca -0.01 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.27 2kmf h SER 51 Cb 0.97 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2kmf h SER 51 CO 0.07 0.08 -0.51 0.08 -0.53 0.00 0.00 176.83 176.02 2kmf h ARG 52 N -0.20 0.76 -0.62 2.24 0.11 -1.41 -2.88 114.38 112.37 2kmf h ARG 52 Ca -0.01 -0.46 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2kmf h ARG 52 Cb 0.17 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2kmf h ARG 52 CO 0.01 1.09 0.00 0.66 0.10 0.00 0.00 179.97 181.83 2kmf n TYR 53 N -4.00 1.09 -0.14 4.08 4.01 -0.95 -4.35 117.16 116.91 2kmf n TYR 53 Ca -0.03 -0.43 -0.08 0.00 -0.16 0.00 0.00 57.90 57.20 2kmf n TYR 53 Cb 0.60 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 2.89 0.55 -0.00 -0.72 9.65 0.17 -1.58 114.38 125.33 2kmf h ARG 54 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2kmf h ARG 54 Cb 1.14 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2kmf h ARG 54 CO 0.18 0.36 -0.08 0.54 2.80 0.00 0.00 179.97 183.77 2kmf n ARG 55 N -4.80 0.74 0.00 0.20 5.12 -1.26 -3.21 116.66 113.44 2kmf n ARG 55 Ca 0.01 -0.23 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 2kmf n ARG 55 Cb 0.03 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 2kmf n ARG 55 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2kmf n LYS 56 N -0.93 0.00 0.00 5.56 4.81 -0.59 -4.55 118.16 122.46 2kmf n LYS 56 Ca 0.15 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 2kmf n LYS 56 Cb 0.26 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.09 2kmf n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kmf n GLY 57 N -0.85 0.38 2.44 3.14 0.00 -1.26 -5.00 105.19 104.04 2kmf n GLY 57 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2kmf n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kmf n ASP 58 N -0.01 -4.12 -2.77 1.61 8.00 -1.20 -3.52 116.55 114.54 2kmf n ASP 58 Ca 0.00 0.17 -0.02 0.00 0.71 0.00 0.00 54.79 55.65 2kmf n ASP 58 Cb 0.18 -3.49 -0.02 0.00 -0.02 0.00 0.00 41.12 37.77 2kmf n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmf n ALA 59 N -2.19 -3.14 0.00 2.24 0.00 -1.26 -5.00 120.51 111.16 2kmf n ALA 59 Ca -0.16 1.13 0.00 0.00 0.00 0.00 0.00 53.44 54.41 2kmf n ALA 59 Cb 0.62 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 1.36 0.00 0.00 0.00 0.00 -1.23 -4.98 105.19 100.34 2kmf n GLY 60 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.05 3.43 -0.02 0.00 -1.26 -5.12 105.19 102.27 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 0.00 3.32 0.17 0.99 1.02 -1.26 -4.99 118.68 117.93 2kmf s LEU 62 Ca 0.00 -0.23 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 2kmf s LEU 62 Cb 0.00 -1.87 0.06 0.00 0.02 0.00 0.00 46.19 44.40 2kmf s LEU 62 CO 0.00 -0.01 1.68 0.11 0.02 0.00 0.00 176.35 178.16 2kmf h LYS 63 N 8.02 0.94 0.09 1.70 1.57 -1.98 0.94 116.57 127.84 2kmf h LYS 63 Ca -0.38 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2kmf h LYS 63 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2kmf h LYS 63 CO 0.59 0.86 -0.04 1.03 -0.57 0.00 0.00 179.45 181.33 2kmf h SER 64 N 0.85 -0.10 -0.31 0.86 0.87 -1.86 0.25 113.55 114.11 2kmf h SER 64 Ca 0.18 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2kmf h SER 64 Cb 0.35 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2kmf h SER 64 CO 0.00 0.14 0.09 0.15 -0.53 0.00 0.00 176.83 176.69 2kmf h PHE 65 N -0.34 0.51 -0.13 2.24 3.57 -1.93 0.41 116.94 121.27 2kmf h PHE 65 Ca -0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2kmf h PHE 65 Cb 0.29 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kmf h PHE 65 CO 0.00 0.52 0.05 1.79 -2.23 0.00 0.00 178.31 178.44 2kmf h THR 66 N 0.34 1.16 -0.32 4.41 1.35 -0.81 0.31 112.91 119.36 2kmf h THR 66 Ca 0.10 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 2kmf h THR 66 Cb 0.26 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2kmf h THR 66 CO -0.00 0.14 0.10 0.74 -0.25 0.00 0.00 175.52 176.25 2kmf h THR 67 N 0.04 1.20 -0.52 6.82 2.02 -0.42 -2.97 112.91 119.09 2kmf h THR 67 Ca 0.04 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 2kmf h THR 67 Cb 0.18 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2kmf h THR 67 CO -0.00 0.22 0.18 0.24 0.37 0.00 0.00 175.52 176.53 2kmf h MET 68 N 0.36 0.79 -0.28 6.66 2.07 -0.09 -0.96 114.93 123.47 2kmf h MET 68 Ca 0.10 -0.16 0.05 0.00 -2.07 0.00 0.00 59.70 57.63 2kmf h MET 68 Cb 0.24 -0.12 -0.08 0.00 -1.87 0.00 0.00 31.60 29.77 2kmf h MET 68 CO -0.00 0.71 -0.46 0.37 1.07 0.00 0.00 176.91 178.60 2kmf h GLN 69 N 0.70 -0.41 -0.22 1.72 4.15 -0.22 0.55 115.11 121.37 2kmf h GLN 69 Ca 0.17 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2kmf h GLN 69 Cb 0.24 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2kmf h GLN 69 CO -0.01 -0.28 -0.00 1.15 -1.93 0.00 0.00 178.83 177.76 2kmf h THR 70 N -0.43 1.26 0.12 2.39 2.02 -1.47 -1.45 112.91 115.34 2kmf h THR 70 Ca 0.09 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2kmf h THR 70 Cb 0.62 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2kmf h THR 70 CO -0.50 0.28 -0.10 0.00 0.37 0.00 0.00 175.52 175.56 2kmf h ALA 71 N 0.80 -0.21 -0.69 6.16 0.00 -0.66 0.28 119.26 124.94 2kmf h ALA 71 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kmf h ALA 71 Cb 0.41 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kmf h ALA 71 CO 0.01 -0.63 0.32 -0.07 0.00 0.00 0.00 179.25 178.88 2kmf h LEU 72 N -0.23 0.91 -0.95 0.00 4.07 0.04 -2.22 115.31 116.92 2kmf h LEU 72 Ca 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 2kmf h LEU 72 Cb 0.22 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2kmf h LEU 72 CO -0.02 0.79 0.07 0.78 -1.08 0.00 0.00 178.44 178.98 2kmf h ASN 73 N 0.96 0.79 0.66 -0.43 2.35 -1.00 0.88 115.58 119.79 2kmf h ASN 73 Ca 0.24 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2kmf h ASN 73 Cb 0.13 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2kmf h ASN 73 CO -0.03 0.81 -0.32 0.28 -1.65 0.00 0.00 177.43 176.53 2kmf h SER 74 N 0.79 -0.75 0.40 5.81 0.02 0.04 -3.08 113.55 116.79 2kmf h SER 74 Ca 0.16 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2kmf h SER 74 Cb 0.38 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kmf h SER 74 CO 0.01 -0.46 -0.42 0.17 -1.14 0.00 0.00 176.83 175.00 2kmf h LEU 75 N -1.01 0.03 -2.03 5.07 8.10 -1.42 -2.59 115.31 121.47 2kmf h LEU 75 Ca -0.09 -0.01 0.13 0.00 0.11 0.00 0.00 57.88 58.02 2kmf h LEU 75 Cb 0.71 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 2kmf h LEU 75 CO 0.15 0.44 0.40 0.00 -4.11 0.00 0.00 178.44 175.32 2kmf h ALA 76 N 1.56 2.28 0.05 0.17 0.00 -0.73 0.20 119.26 122.79 2kmf h ALA 76 Ca -0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2kmf h ALA 76 Cb 0.75 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kmf h ALA 76 CO 0.06 -0.63 -1.07 0.78 0.00 0.00 0.00 179.25 178.39 2kmf h GLY 77 N 0.00 0.19 0.95 0.00 0.00 -1.38 -3.31 103.07 99.53 2kmf h GLY 77 Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.13 2kmf h GLY 77 CO -0.00 0.38 0.63 -0.97 0.00 0.00 0.00 176.54 176.58 2kmf h TYR 78 N 0.06 1.19 -0.28 5.60 -1.99 -0.66 0.80 116.97 121.69 2kmf h TYR 78 Ca -0.07 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 2kmf h TYR 78 Cb 1.78 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 40.10 2kmf h TYR 78 CO 0.03 0.72 0.16 1.88 -0.00 0.00 0.00 178.16 180.96 2kmf h TYR 79 N 1.26 0.37 0.00 4.88 0.05 -1.61 -2.66 116.97 119.26 2kmf h TYR 79 Ca 0.36 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2kmf h TYR 79 Cb -0.09 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.53 2kmf h TYR 79 CO -0.01 0.29 -0.36 -2.37 -1.05 0.00 0.00 178.16 174.67 2kmf n THR 80 N -4.85 0.18 0.04 -2.88 5.66 -1.05 -1.39 114.28 110.00 2kmf n THR 80 Ca -0.02 -0.12 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 2kmf n THR 80 Cb 0.06 -0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 68.64 2kmf n THR 80 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kmf h SER 81 N 0.00 -0.12 0.00 1.09 0.02 0.99 -3.34 113.55 112.19 2kmf h SER 81 Ca 0.00 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2kmf h SER 81 Cb 0.60 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2kmf h SER 81 CO 0.00 -0.06 -1.48 -1.22 -1.14 0.00 0.00 176.83 172.93 2kmf n TYR 82 N -5.15 0.00 0.00 3.45 4.01 -1.22 -5.02 117.16 113.23 2kmf n TYR 82 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2kmf n TYR 82 Cb 0.08 -0.30 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 2.29 3.33 2.60 2.72 0.00 -0.49 -4.72 105.19 110.91 2kmf n GLY 83 Ca -0.08 0.00 -0.04 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 -1.36 -1.20 -3.58 4.61 0.00 -1.26 -4.92 120.51 112.80 2kmf n ALA 84 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 53.44 52.42 2kmf n ALA 84 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 2.30 0.05 0.00 6.06 -1.26 -5.07 118.95 121.11 2kmf s ARG 85 Ca 0.08 -1.62 -0.37 0.00 -2.50 0.00 0.00 55.73 51.32 2kmf s ARG 85 Cb 0.16 -3.62 -0.17 0.00 0.06 0.00 0.00 34.95 31.38 2kmf s ARG 85 CO -0.04 -0.98 1.32 -2.30 -2.50 0.00 0.00 175.30 170.80 2kmf n PRO 86 N 4.73 0.96 -1.68 5.12 -0.02 -1.26 -4.83 135.00 138.02 2kmf n PRO 86 Ca -0.07 0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 2kmf n PRO 86 Cb 0.42 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.47 1.21 -1.00 4.25 5.41 -1.26 -4.95 119.36 125.50 2kmf n ILE 87 Ca 0.19 -0.30 -0.31 0.00 1.00 0.00 0.00 62.75 63.33 2kmf n ILE 87 Cb 0.17 -1.52 0.14 0.00 -0.71 0.00 0.00 39.64 37.72 2kmf n ILE 87 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kmf s PRO 88 N -0.77 1.47 0.19 0.38 0.04 -1.26 -4.81 135.00 130.23 2kmf s PRO 88 Ca 0.65 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 2kmf s PRO 88 Cb -0.62 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.21 2kmf s PRO 88 CO 0.53 -2.22 1.69 0.93 0.04 0.00 0.00 177.00 177.97 2kmf h GLU 89 N -1.55 1.10 -0.37 4.56 4.39 -1.98 -1.00 114.58 119.73 2kmf h GLU 89 Ca -0.45 -0.29 0.07 0.00 0.34 0.00 0.00 59.36 59.03 2kmf h GLU 89 Cb 1.26 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 2kmf h GLU 89 CO 0.48 1.00 -0.03 1.57 -1.16 0.00 0.00 179.01 180.87 2kmf h LYS 90 N 1.03 0.07 -0.26 2.33 2.10 -2.01 -1.09 116.57 118.74 2kmf h LYS 90 Ca 0.21 -0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.69 2kmf h LYS 90 Cb 0.42 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2kmf h LYS 90 CO 0.01 0.04 -0.50 1.25 -2.00 0.00 0.00 179.45 178.25 2kmf h LEU 91 N 0.07 0.80 -0.70 7.07 5.85 -1.91 -3.15 115.31 123.34 2kmf h LEU 91 Ca 0.18 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.60 2kmf h LEU 91 Cb 0.26 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2kmf h LEU 91 CO -0.33 1.16 0.32 0.50 -0.34 0.00 0.00 178.44 179.75 2kmf h LYS 92 N 0.57 0.52 -0.66 1.25 3.64 -0.32 0.13 116.57 121.70 2kmf h LYS 92 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2kmf h LYS 92 Cb 1.07 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 2kmf h LYS 92 CO 0.11 0.34 0.34 0.87 -2.27 0.00 0.00 179.45 178.84 2kmf h LYS 93 N 0.53 0.93 -0.44 1.90 1.57 -1.20 -0.28 116.57 119.58 2kmf h LYS 93 Ca 0.36 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2kmf h LYS 93 Cb 0.43 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2kmf h LYS 93 CO -0.30 0.72 0.11 -0.09 -0.57 0.00 0.00 179.45 179.32 2kmf h ARG 94 N 0.90 0.70 -0.68 3.15 2.43 -1.16 -2.77 114.38 116.94 2kmf h ARG 94 Ca 0.23 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2kmf h ARG 94 Cb 0.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2kmf h ARG 94 CO -0.03 0.70 0.24 -0.07 -1.51 0.00 0.00 179.97 179.29 2kmf h LEU 95 N 0.57 0.97 -0.64 3.80 3.38 -0.53 -2.24 115.31 120.62 2kmf h LEU 95 Ca 0.14 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2kmf h LEU 95 Cb 0.31 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2kmf h LEU 95 CO 0.00 0.90 0.30 1.56 0.09 0.00 0.00 178.44 181.30 2kmf h GLN 96 N 0.98 0.53 -0.56 1.13 1.08 -0.89 -1.50 115.11 115.88 2kmf h GLN 96 Ca 0.22 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2kmf h GLN 96 Cb 0.26 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2kmf h GLN 96 CO -0.01 0.35 0.12 -0.07 -0.95 0.00 0.00 178.83 178.26 2kmf h LEU 97 N 0.54 0.86 -0.58 1.46 3.38 -1.22 -1.95 115.31 117.79 2kmf h LEU 97 Ca 0.31 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2kmf h LEU 97 Cb 0.31 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2kmf h LEU 97 CO -0.25 0.88 0.27 -0.33 0.09 0.00 0.00 178.44 179.10 2kmf h GLU 98 N 0.80 0.48 -0.26 1.13 5.08 -0.71 -1.12 114.58 119.99 2kmf h GLU 98 Ca 0.17 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2kmf h GLU 98 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kmf h GLU 98 CO 0.01 0.32 -0.28 0.74 -1.00 0.00 0.00 179.01 178.80 2kmf h PHE 99 N 0.50 0.58 -0.58 4.33 0.04 -1.15 -1.84 116.94 118.82 2kmf h PHE 99 Ca 0.27 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2kmf h PHE 99 Cb 0.25 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2kmf h PHE 99 CO -0.12 0.74 0.37 1.15 -0.60 0.00 0.00 178.31 179.85 2kmf h THR 100 N 0.45 1.16 -0.18 -1.55 2.02 -0.45 0.34 112.91 114.71 2kmf h THR 100 Ca 0.06 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 2kmf h THR 100 Cb 0.72 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2kmf h THR 100 CO 0.06 0.16 -0.42 1.56 0.37 0.00 0.00 175.52 177.24 2kmf h GLN 101 N 0.79 0.42 0.17 6.66 4.20 -1.13 -1.36 115.11 124.86 2kmf h GLN 101 Ca 0.21 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kmf h GLN 101 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2kmf h GLN 101 CO -0.04 0.77 -0.08 0.00 -0.67 0.00 0.00 178.83 178.80 2kmf h ALA 102 N 1.20 -0.23 -0.35 3.87 0.00 -0.64 -0.65 119.26 122.47 2kmf h ALA 102 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2kmf h ALA 102 Cb 0.89 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kmf h ALA 102 CO 0.07 -0.47 -0.08 1.05 0.00 0.00 0.00 179.25 179.82 2kmf h GLU 103 N -0.54 0.58 -0.54 0.00 4.11 -0.98 -2.50 114.58 114.70 2kmf h GLU 103 Ca -0.02 -0.16 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 2kmf h GLU 103 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2kmf h GLU 103 CO 0.04 0.67 0.03 0.00 0.07 0.00 0.00 179.01 179.82 2kmf h ARG 104 N 0.54 0.90 -0.05 1.06 2.47 -1.19 -2.50 114.38 115.63 2kmf h ARG 104 Ca 0.10 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 58.53 2kmf h ARG 104 Cb 0.47 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2kmf h ARG 104 CO 0.03 0.88 -0.19 0.77 0.56 0.00 0.00 179.97 182.02 2kmf h SER 105 N 0.84 0.07 -0.63 7.04 0.02 -0.67 -2.61 113.55 117.61 2kmf h SER 105 Ca 0.16 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2kmf h SER 105 Cb 0.46 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2kmf h SER 105 CO 0.02 0.27 0.32 0.40 -1.14 0.00 0.00 176.83 176.69 2kmf h ILE 106 N 0.07 1.21 -0.50 3.27 1.08 -1.17 0.27 117.51 121.74 2kmf h ILE 106 Ca 0.01 -0.58 0.09 0.00 -0.39 0.00 0.00 64.86 64.00 2kmf h ILE 106 Cb 0.38 0.44 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 2kmf h ILE 106 CO 0.03 0.24 0.02 -0.33 -0.69 0.00 0.00 178.15 177.42 2kmf h GLU 107 N 0.86 0.13 0.00 2.37 5.08 -1.44 0.16 114.58 121.74 2kmf h GLU 107 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2kmf h GLU 107 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kmf h GLU 107 CO -0.03 0.09 -0.14 2.89 -1.00 0.00 0.00 179.01 180.82 2kmf n ARG 108 N -5.21 0.12 -3.16 2.33 1.85 -1.07 -4.98 116.66 106.54 2kmf n ARG 108 Ca 0.05 0.08 -0.15 0.00 -1.00 0.00 0.00 57.85 56.83 2kmf n ARG 108 Cb 0.27 -1.62 0.01 0.00 -1.05 0.00 0.00 32.46 30.07 2kmf n ARG 108 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kmf n GLY 109 N 1.42 -0.96 0.00 2.89 0.00 0.93 -5.11 105.19 104.34 2kmf n GLY 109 Ca 0.06 0.98 0.01 0.00 0.00 0.00 0.00 46.02 47.07 2kmf n GLY 109 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65