#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfc n ASP 2 N 0.00 0.88 -4.74 0.00 8.00 -1.26 -4.87 116.55 114.56 1cfc n ASP 2 Ca 0.00 -1.86 -0.38 0.00 0.71 0.00 0.00 54.79 53.26 1cfc n ASP 2 Cb 0.00 -0.44 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cfc n GLN 3 N 0.01 1.40 -2.37 -1.24 6.02 -1.26 -4.91 117.38 115.03 1cfc n GLN 3 Ca 0.00 0.53 -0.43 0.00 -0.01 0.00 0.00 57.00 57.09 1cfc n GLN 3 Cb 0.22 -2.56 -0.02 0.00 1.02 0.00 0.00 30.24 28.90 1cfc n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1cfc s LEU 4 N -3.93 4.22 0.75 1.08 1.43 -1.26 -5.00 118.68 115.97 1cfc s LEU 4 Ca 0.77 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1cfc s LEU 4 Cb -0.40 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.33 1cfc s LEU 4 CO 0.44 -0.75 1.08 0.42 0.23 0.00 0.00 176.35 177.78 1cfc s THR 5 N 3.28 3.48 0.40 5.49 -4.23 -1.26 -4.73 115.64 118.06 1cfc s THR 5 Ca 0.57 0.49 0.12 0.00 -1.18 0.00 0.00 61.69 61.69 1cfc s THR 5 Cb -0.24 -3.03 0.33 0.00 1.34 0.00 0.00 72.50 70.91 1cfc s THR 5 CO 0.18 -0.62 1.92 -0.33 -0.54 0.00 0.00 174.62 175.23 1cfc h GLU 6 N -1.00 0.53 -0.24 3.99 5.08 -1.98 0.43 114.58 121.37 1cfc h GLU 6 Ca -0.44 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1cfc h GLU 6 Cb 1.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1cfc h GLU 6 CO 0.53 0.35 -0.10 0.93 -1.00 0.00 0.00 179.01 179.72 1cfc h GLU 7 N 0.54 0.50 -0.55 2.33 5.08 -1.98 0.22 114.58 120.71 1cfc h GLU 7 Ca 0.37 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1cfc h GLU 7 Cb 0.68 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1cfc h GLU 7 CO -0.13 0.75 0.09 1.96 -1.00 0.00 0.00 179.01 180.67 1cfc h GLN 8 N 0.22 0.88 -0.23 2.33 4.20 -1.53 0.21 115.11 121.19 1cfc h GLN 8 Ca 0.06 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 1cfc h GLN 8 Cb 0.58 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1cfc h GLN 8 CO 0.03 0.82 -0.41 0.82 -0.67 0.00 0.00 178.83 179.42 1cfc h ILE 9 N 0.83 1.30 -0.13 2.54 2.04 -0.82 -2.93 117.51 120.35 1cfc h ILE 9 Ca 0.17 -1.57 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 1cfc h ILE 9 Cb 0.37 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1cfc h ILE 9 CO 0.01 0.49 -0.41 0.00 0.00 0.00 0.00 178.15 178.24 1cfc h ALA 10 N 1.12 0.23 -0.45 1.87 0.00 -0.36 -2.07 119.26 119.59 1cfc h ALA 10 Ca 0.04 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1cfc h ALA 10 Cb 0.90 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1cfc h ALA 10 CO 0.08 0.34 -0.18 1.49 0.00 0.00 0.00 179.25 180.98 1cfc h GLU 11 N 0.13 -0.08 -0.09 0.00 4.81 -0.53 0.36 114.58 119.18 1cfc h GLU 11 Ca -0.01 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1cfc h GLU 11 Cb 1.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1cfc h GLU 11 CO 0.09 -0.05 -0.29 0.74 -0.73 0.00 0.00 179.01 178.77 1cfc h PHE 12 N -0.08 0.17 -0.69 0.92 0.04 -1.53 -2.51 116.94 113.26 1cfc h PHE 12 Ca 0.22 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1cfc h PHE 12 Cb 0.42 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1cfc h PHE 12 CO -0.45 0.44 0.30 -0.22 -0.60 0.00 0.00 178.31 177.78 1cfc h LYS 13 N 0.14 1.02 0.23 1.51 3.64 0.36 0.27 116.57 123.73 1cfc h LYS 13 Ca 0.02 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1cfc h LYS 13 Cb 0.59 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1cfc h LYS 13 CO 0.04 0.83 -0.11 0.93 -2.27 0.00 0.00 179.45 178.87 1cfc h GLU 14 N 0.97 -0.30 -0.30 1.90 5.08 -0.56 0.14 114.58 121.52 1cfc h GLU 14 Ca 0.23 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1cfc h GLU 14 Cb 0.17 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1cfc h GLU 14 CO -0.02 -0.07 0.20 0.00 -1.00 0.00 0.00 179.01 178.12 1cfc h ALA 15 N 0.22 1.90 -0.16 3.43 0.00 -1.28 -0.59 119.26 122.78 1cfc h ALA 15 Ca -0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1cfc h ALA 15 Cb 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cfc h ALA 15 CO 0.05 0.07 -0.71 0.35 0.00 0.00 0.00 179.25 179.01 1cfc h PHE 16 N 0.31 1.02 -0.15 0.00 3.57 -0.05 -3.19 116.94 118.45 1cfc h PHE 16 Ca 0.12 -0.44 -0.11 0.00 3.53 0.00 0.00 57.97 61.06 1cfc h PHE 16 Cb 0.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1cfc h PHE 16 CO -0.00 1.27 -0.40 0.66 -2.23 0.00 0.00 178.31 177.60 1cfc h SER 17 N 0.49 0.35 -0.15 0.41 4.64 0.10 -2.79 113.55 116.60 1cfc h SER 17 Ca -0.04 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1cfc h SER 17 Cb 1.34 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1cfc h SER 17 CO 0.15 0.73 0.52 -0.07 -0.87 0.00 0.00 176.83 177.29 1cfc h LEU 18 N 0.28 0.00 -2.80 5.97 3.38 -1.12 0.16 115.31 121.19 1cfc h LEU 18 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1cfc h LEU 18 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1cfc h LEU 18 CO 0.07 0.00 -0.19 0.49 0.09 0.00 0.00 178.44 178.90 1cfc n PHE 19 N -3.02 0.00 -2.96 1.13 3.01 -1.06 -4.86 117.46 109.70 1cfc n PHE 19 Ca 0.02 -0.83 -0.43 0.00 1.01 0.00 0.00 57.45 57.22 1cfc n PHE 19 Cb 0.61 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 39.95 1cfc n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cfc n ASP 20 N -1.05 6.53 0.00 4.37 2.03 0.57 -4.66 116.55 124.35 1cfc n ASP 20 Ca 0.13 -3.44 0.11 0.00 0.52 0.00 0.00 54.79 52.10 1cfc n ASP 20 Cb 0.67 -1.26 0.65 0.00 -0.72 0.00 0.00 41.12 40.46 1cfc n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cfc n LYS 21 N 1.19 0.92 -0.12 -0.67 4.76 -1.26 -2.95 118.16 120.02 1cfc n LYS 21 Ca 0.28 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 1cfc n LYS 21 Cb 0.32 -1.37 0.18 0.00 -1.84 0.00 0.00 35.03 32.33 1cfc n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cfc n ASP 22 N -0.87 3.27 -0.65 4.39 9.92 -1.26 -4.91 116.55 126.44 1cfc n ASP 22 Ca 0.16 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.79 52.39 1cfc n ASP 22 Cb 0.07 -0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.37 1cfc n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfc n GLY 23 N 1.45 0.45 1.13 0.44 0.00 -1.15 -4.65 105.19 102.86 1cfc n GLY 23 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1cfc n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfc n ASP 24 N 0.59 3.42 -1.21 1.61 2.03 -1.26 -4.94 116.55 116.78 1cfc n ASP 24 Ca -0.05 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.17 1cfc n ASP 24 Cb 0.26 -0.22 -0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1cfc n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 25 N 1.48 -0.05 3.19 0.27 0.00 -1.26 -5.01 105.19 103.81 1cfc n GLY 25 Ca 0.19 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1cfc n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cfc s THR 26 N -2.54 0.12 0.16 2.61 -4.23 -1.26 -3.21 115.64 107.28 1cfc s THR 26 Ca 0.01 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1cfc s THR 26 Cb -0.00 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1cfc s THR 26 CO 0.01 -0.22 0.09 0.27 -0.54 0.00 0.00 174.62 174.23 1cfc s ILE 27 N -4.06 0.06 0.58 2.99 -4.36 -0.42 -4.40 121.20 111.59 1cfc s ILE 27 Ca 0.32 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1cfc s ILE 27 Cb 0.07 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.59 1cfc s ILE 27 CO 0.07 -0.28 0.84 0.42 0.24 0.00 0.00 174.94 176.23 1cfc s THR 28 N -4.09 2.99 0.27 8.37 -4.23 -1.26 -1.05 115.64 116.63 1cfc s THR 28 Ca 0.30 -0.42 0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1cfc s THR 28 Cb 0.07 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1cfc s THR 28 CO 0.06 -0.14 1.66 0.71 -0.54 0.00 0.00 174.62 176.37 1cfc h THR 29 N -0.07 1.32 0.00 3.99 1.35 -1.82 -2.81 112.91 114.87 1cfc h THR 29 Ca -0.44 -1.90 -0.02 0.00 -0.55 0.00 0.00 66.41 63.50 1cfc h THR 29 Cb 1.29 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1cfc h THR 29 CO 0.57 0.53 -0.10 0.11 -0.25 0.00 0.00 175.52 176.37 1cfc h LYS 30 N 0.00 0.00 -0.69 4.72 1.57 -1.94 -1.57 116.57 118.67 1cfc h LYS 30 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1cfc h LYS 30 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1cfc h LYS 30 CO 0.07 0.10 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 1cfc n GLU 31 N -3.71 3.50 -0.01 3.15 1.02 -1.06 -4.46 120.64 119.06 1cfc n GLU 31 Ca -0.02 -2.86 -0.13 0.00 -0.02 0.00 0.00 57.16 54.13 1cfc n GLU 31 Cb 0.21 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 29.71 1cfc n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1cfc h LEU 32 N 4.24 -0.02 -1.90 -4.62 5.85 -1.28 -2.38 115.31 115.19 1cfc h LEU 32 Ca 0.00 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1cfc h LEU 32 Cb 1.34 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1cfc h LEU 32 CO 0.17 0.52 -0.11 1.23 -0.34 0.00 0.00 178.44 179.92 1cfc h GLY 33 N -0.58 0.00 1.01 3.75 0.00 -1.78 -2.10 103.07 103.36 1cfc h GLY 33 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1cfc h GLY 33 CO 0.00 0.00 -0.50 -0.84 0.00 0.00 0.00 176.54 175.20 1cfc h THR 34 N 0.00 1.31 -0.14 4.70 2.02 -1.78 -1.47 112.91 117.55 1cfc h THR 34 Ca -0.00 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 1cfc h THR 34 Cb 0.35 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1cfc h THR 34 CO 0.01 0.54 -0.02 0.58 0.37 0.00 0.00 175.52 177.01 1cfc h VAL 35 N 0.38 1.28 -0.28 3.16 2.07 -0.99 -2.36 116.25 119.52 1cfc h VAL 35 Ca -0.01 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1cfc h VAL 35 Cb 1.12 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1cfc h VAL 35 CO 0.11 0.27 0.19 0.24 0.02 0.00 0.00 177.57 178.40 1cfc h MET 36 N -0.03 0.21 -0.43 1.57 2.86 -1.42 -1.04 114.93 116.65 1cfc h MET 36 Ca 0.04 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1cfc h MET 36 Cb 0.43 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1cfc h MET 36 CO 0.01 0.14 -0.22 0.00 1.06 0.00 0.00 176.91 177.90 1cfc h ARG 37 N 0.21 0.87 -0.58 1.72 2.47 -0.82 -0.89 114.38 117.37 1cfc h ARG 37 Ca 0.12 -0.36 0.05 0.00 -1.26 0.00 0.00 59.98 58.53 1cfc h ARG 37 Cb 0.20 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1cfc h ARG 37 CO -0.02 1.00 0.38 0.66 0.56 0.00 0.00 179.97 182.55 1cfc h SER 38 N 0.76 0.52 0.00 7.04 4.64 -0.69 0.30 113.55 126.12 1cfc h SER 38 Ca 0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1cfc h SER 38 Cb 0.76 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1cfc h SER 38 CO 0.06 0.34 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 1cfc n LEU 39 N -4.47 0.00 0.00 5.97 4.77 -1.02 -4.84 117.00 117.41 1cfc n LEU 39 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1cfc n LEU 39 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1cfc n LEU 39 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1cfc n GLY 40 N 0.88 0.57 3.88 -0.72 0.00 0.11 -5.05 105.19 104.86 1cfc n GLY 40 Ca 0.20 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1cfc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfc s GLN 41 N -1.12 3.45 -0.46 1.61 -1.52 -0.37 -4.99 119.66 116.26 1cfc s GLN 41 Ca 0.00 -0.16 0.06 0.00 -1.95 0.00 0.00 55.36 53.31 1cfc s GLN 41 Cb 0.00 -3.17 0.21 0.00 -0.22 0.00 0.00 33.01 29.84 1cfc s GLN 41 CO 0.00 0.75 0.49 -1.71 -0.25 0.00 0.00 175.29 174.57 1cfc n ASN 42 N 1.75 0.68 -4.77 5.90 2.85 -1.26 -3.43 115.26 116.98 1cfc n ASN 42 Ca -0.18 -2.73 -0.34 0.00 -0.11 0.00 0.00 54.58 51.22 1cfc n ASN 42 Cb 0.54 -0.63 0.02 0.00 1.24 0.00 0.00 39.78 40.96 1cfc n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1cfc s PRO 43 N -0.96 3.10 0.99 1.20 0.04 -1.26 -5.01 135.00 133.11 1cfc s PRO 43 Ca 0.34 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1cfc s PRO 43 Cb 0.10 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1cfc s PRO 43 CO -0.13 -1.04 1.09 0.95 0.04 0.00 0.00 177.00 177.91 1cfc s THR 44 N -1.98 2.10 0.16 1.26 -4.23 -1.26 -4.80 115.64 106.90 1cfc s THR 44 Ca 0.71 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1cfc s THR 44 Cb -0.23 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.11 1cfc s THR 44 CO 0.33 -0.04 1.80 -0.33 -0.54 0.00 0.00 174.62 175.84 1cfc h GLU 45 N -1.88 0.60 -0.73 3.99 4.39 -1.99 -2.03 114.58 116.93 1cfc h GLU 45 Ca -0.54 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 1cfc h GLU 45 Cb 1.33 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1cfc h GLU 45 CO 0.57 0.42 0.38 0.00 -1.16 0.00 0.00 179.01 179.23 1cfc h ALA 46 N 1.14 1.29 -0.99 3.43 0.00 -1.97 0.18 119.26 122.34 1cfc h ALA 46 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cfc h ALA 46 Cb -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 1cfc h ALA 46 CO -0.03 0.56 0.65 0.93 0.00 0.00 0.00 179.25 181.36 1cfc h GLU 47 N 1.03 1.24 -0.05 0.00 5.08 -1.73 0.43 114.58 120.57 1cfc h GLU 47 Ca 0.26 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1cfc h GLU 47 Cb 0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1cfc h GLU 47 CO -0.04 0.82 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.56 1cfc h LEU 48 N 1.27 0.23 -1.98 1.33 3.38 -0.56 -2.97 115.31 116.02 1cfc h LEU 48 Ca 0.38 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1cfc h LEU 48 Cb -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1cfc h LEU 48 CO -0.11 0.81 -0.06 1.56 0.09 0.00 0.00 178.44 180.73 1cfc h GLN 49 N -0.33 0.00 -0.09 1.13 1.08 -0.28 -1.94 115.11 114.67 1cfc h GLN 49 Ca -0.01 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1cfc h GLN 49 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1cfc h GLN 49 CO 0.03 0.06 -0.37 -0.44 -0.95 0.00 0.00 178.83 177.17 1cfc h ASP 50 N 0.00 0.49 0.16 1.46 3.32 -0.08 -2.63 116.42 119.14 1cfc h ASP 50 Ca -0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 57.03 56.30 1cfc h ASP 50 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1cfc h ASP 50 CO 0.01 1.03 -0.46 0.24 -1.72 0.00 0.00 179.24 178.33 1cfc h MET 51 N -0.03 0.36 -0.83 3.56 2.86 -1.33 -2.73 114.93 116.79 1cfc h MET 51 Ca -0.02 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1cfc h MET 51 Cb 1.00 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.63 1cfc h MET 51 CO 0.08 0.75 0.52 0.82 1.06 0.00 0.00 176.91 180.14 1cfc h ILE 52 N 0.29 1.23 0.37 -1.22 2.04 -1.33 0.52 117.51 119.41 1cfc h ILE 52 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1cfc h ILE 52 Cb 0.93 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1cfc h ILE 52 CO 0.08 0.23 -0.33 -0.55 0.00 0.00 0.00 178.15 177.58 1cfc h ASN 53 N 1.14 -0.87 0.68 1.72 -1.07 -1.14 0.96 115.58 117.00 1cfc h ASN 53 Ca 0.30 0.07 -0.18 0.00 0.07 0.00 0.00 56.30 56.57 1cfc h ASN 53 Cb -0.08 0.29 -0.02 0.00 -2.07 0.00 0.00 38.32 36.44 1cfc h ASN 53 CO -0.06 -0.48 -0.81 -0.33 0.07 0.00 0.00 177.43 175.82 1cfc h GLU 54 N -0.71 0.09 0.00 4.14 5.08 -1.48 -3.17 114.58 118.53 1cfc h GLU 54 Ca -0.03 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 1cfc h GLU 54 Cb 0.63 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1cfc h GLU 54 CO -0.03 0.85 -0.71 0.28 -1.00 0.00 0.00 179.01 178.40 1cfc h VAL 55 N 0.05 1.34 0.00 3.13 2.07 0.24 -3.15 116.25 119.94 1cfc h VAL 55 Ca -0.02 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1cfc h VAL 55 Cb 1.42 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1cfc h VAL 55 CO 0.11 0.69 0.00 -0.67 0.02 0.00 0.00 177.57 177.73 1cfc n ASP 56 N -3.46 5.04 0.08 0.57 2.03 0.33 -3.96 116.55 117.17 1cfc n ASP 56 Ca 0.00 -2.35 -0.05 0.00 0.52 0.00 0.00 54.79 52.92 1cfc n ASP 56 Cb 0.75 -1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.01 1cfc n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfc h ALA 57 N 1.14 0.43 0.00 -1.67 0.00 -1.71 -3.09 119.26 114.37 1cfc h ALA 57 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1cfc h ALA 57 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1cfc h ALA 57 CO 0.00 1.11 0.00 0.38 0.00 0.00 0.00 179.25 180.74 1cfc h ASP 58 N 0.00 0.00 -0.25 0.00 3.04 -1.89 -3.47 116.42 113.86 1cfc h ASP 58 Ca -0.01 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.67 1cfc h ASP 58 Cb 1.69 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.93 1cfc h ASP 58 CO 0.11 0.00 -0.10 0.61 -2.04 0.00 0.00 179.24 177.83 1cfc n GLY 59 N 1.08 0.79 1.08 7.15 0.00 -1.17 -4.89 105.19 109.23 1cfc n GLY 59 Ca 0.04 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1cfc n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cfc n ASN 60 N 1.14 3.28 -2.06 1.61 0.23 -1.26 -4.93 115.26 113.27 1cfc n ASN 60 Ca -0.05 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.58 51.95 1cfc n ASN 60 Cb 0.17 -0.16 -0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1cfc n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cfc n GLY 61 N 1.45 -0.19 3.34 4.83 0.00 -1.26 -4.87 105.19 108.49 1cfc n GLY 61 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1cfc n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cfc s THR 62 N -2.00 0.60 -0.01 2.61 -4.23 -1.26 -2.55 115.64 108.80 1cfc s THR 62 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1cfc s THR 62 Cb 0.00 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1cfc s THR 62 CO 0.00 0.00 0.01 -0.63 -0.54 0.00 0.00 174.62 173.46 1cfc s ILE 63 N -3.68 -0.02 0.30 2.99 1.01 -0.22 -4.85 121.20 116.74 1cfc s ILE 63 Ca 0.37 0.06 0.06 0.00 0.00 0.00 0.00 60.65 61.14 1cfc s ILE 63 Cb 0.07 -0.03 -0.02 0.00 0.01 0.00 0.00 42.46 42.49 1cfc s ILE 63 CO 0.14 0.02 0.40 1.51 0.00 0.00 0.00 174.94 177.01 1cfc s ASP 64 N 0.29 5.97 0.17 3.58 1.47 -1.26 -1.29 116.67 125.60 1cfc s ASP 64 Ca -0.02 -0.15 -0.14 0.00 1.18 0.00 0.00 52.55 53.42 1cfc s ASP 64 Cb -0.04 -1.40 0.07 0.00 -0.34 0.00 0.00 42.92 41.22 1cfc s ASP 64 CO -0.01 -0.29 1.83 0.15 0.68 0.00 0.00 175.17 177.54 1cfc h PHE 65 N 1.06 0.65 -0.31 2.11 3.57 -1.94 -0.74 116.94 121.34 1cfc h PHE 65 Ca -0.48 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.11 1cfc h PHE 65 Cb 1.25 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 1cfc h PHE 65 CO 0.45 0.40 -0.16 -1.35 -2.23 0.00 0.00 178.31 175.43 1cfc h PRO 66 N 0.69 -0.11 -0.21 6.41 0.11 -1.96 0.14 132.00 137.08 1cfc h PRO 66 Ca 0.20 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 1cfc h PRO 66 Cb -0.06 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1cfc h PRO 66 CO -0.05 -0.07 -0.12 0.93 -0.21 0.00 0.00 178.00 178.48 1cfc h GLU 67 N -0.11 0.34 -0.53 1.05 5.08 -1.92 -1.36 114.58 117.13 1cfc h GLU 67 Ca 0.16 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1cfc h GLU 67 Cb 0.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1cfc h GLU 67 CO -0.38 0.46 0.24 0.35 -1.00 0.00 0.00 179.01 178.69 1cfc h PHE 68 N 0.32 0.73 0.00 4.33 3.57 0.72 0.10 116.94 126.71 1cfc h PHE 68 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1cfc h PHE 68 Cb 0.41 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1cfc h PHE 68 CO 0.01 0.55 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.36 1cfc h LEU 69 N 0.74 0.00 -0.52 0.59 3.38 0.22 -2.10 115.31 117.63 1cfc h LEU 69 Ca 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1cfc h LEU 69 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1cfc h LEU 69 CO -0.02 0.20 -0.61 0.74 0.09 0.00 0.00 178.44 178.85 1cfc h THR 70 N 0.00 1.23 -0.01 0.22 2.02 -0.48 -1.29 112.91 114.60 1cfc h THR 70 Ca -0.00 -2.24 -0.03 0.00 0.77 0.00 0.00 66.41 64.91 1cfc h THR 70 Cb 0.53 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1cfc h THR 70 CO 0.03 0.59 -0.12 0.24 0.37 0.00 0.00 175.52 176.63 1cfc h MET 71 N 0.00 0.09 -0.18 6.66 2.86 -0.82 -2.60 114.93 120.94 1cfc h MET 71 Ca -0.01 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1cfc h MET 71 Cb 1.23 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1cfc h MET 71 CO 0.08 0.82 -0.13 0.52 1.06 0.00 0.00 176.91 179.26 1cfc h MET 72 N -0.61 0.28 -0.20 1.72 2.07 -1.49 -2.25 114.93 114.45 1cfc h MET 72 Ca -0.01 -0.07 -0.11 0.00 -2.07 0.00 0.00 59.70 57.43 1cfc h MET 72 Cb 0.86 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1cfc h MET 72 CO 0.02 0.43 -0.36 0.00 1.07 0.00 0.00 176.91 178.07 1cfc h ALA 73 N 1.60 1.01 0.00 6.32 0.00 -1.24 -0.06 119.26 126.88 1cfc h ALA 73 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1cfc h ALA 73 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1cfc h ALA 73 CO 0.02 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 1cfc h ARG 74 N 0.37 0.00 0.05 0.00 2.47 -1.00 -3.23 114.38 113.05 1cfc h ARG 74 Ca 0.04 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1cfc h ARG 74 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1cfc h ARG 74 CO 0.07 0.25 -0.03 0.87 0.56 0.00 0.00 179.97 181.69 1cfc h LYS 75 N 0.00 -0.07 -0.98 0.04 1.79 -1.21 -3.42 116.57 112.72 1cfc h LYS 75 Ca -0.00 0.00 0.37 0.00 -2.18 0.00 0.00 60.65 58.84 1cfc h LYS 75 Cb 0.55 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.09 1cfc h LYS 75 CO 0.03 -0.05 0.60 -1.33 -1.08 0.00 0.00 179.45 177.62 1cfc n MET 76 N -4.08 -0.04 0.00 3.15 2.81 -0.09 -1.22 117.12 117.66 1cfc n MET 76 Ca -0.01 1.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 1cfc n MET 76 Cb 0.03 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 1cfc n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1cfc n LYS 77 N -4.52 0.00 0.45 0.03 2.85 -1.26 -1.82 118.16 113.90 1cfc n LYS 77 Ca 0.32 0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.53 1cfc n LYS 77 Cb 1.17 -1.82 -0.08 0.00 -0.65 0.00 0.00 35.03 33.65 1cfc n LYS 77 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1cfc h ASP 78 N 0.00 -0.99 -0.16 -5.58 3.58 -1.52 -2.83 116.42 108.93 1cfc h ASP 78 Ca 0.00 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.36 1cfc h ASP 78 Cb 0.63 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.89 1cfc h ASP 78 CO 0.00 -0.70 0.06 1.07 -2.88 0.00 0.00 179.24 176.79 1cfc n THR 79 N -5.12 2.37 -0.88 2.25 5.66 -0.76 -4.90 114.28 112.90 1cfc n THR 79 Ca -0.14 -1.01 -0.36 0.00 -3.05 0.00 0.00 64.05 59.48 1cfc n THR 79 Cb 0.46 -1.54 0.08 0.00 -1.55 0.00 0.00 70.33 67.78 1cfc n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1cfc n ASP 80 N 1.35 -2.99 0.20 1.09 8.00 -1.07 -4.81 116.55 118.32 1cfc n ASP 80 Ca 0.15 -0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.75 1cfc n ASP 80 Cb 0.58 -0.69 0.16 0.00 -0.02 0.00 0.00 41.12 41.14 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1cfc h SER 81 N -1.38 0.00 0.30 -2.24 0.87 -1.92 -3.19 113.55 106.00 1cfc h SER 81 Ca -0.44 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1cfc h SER 81 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1cfc h SER 81 CO 0.27 0.00 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.10 1cfc h GLU 82 N 0.00 -0.39 0.00 2.24 5.08 -1.97 -2.54 114.58 117.00 1cfc h GLU 82 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1cfc h GLU 82 Cb 0.98 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1cfc h GLU 82 CO 0.00 -0.06 0.00 0.93 -1.00 0.00 0.00 179.01 178.88 1cfc h GLU 83 N -0.78 0.00 0.00 2.33 5.08 -1.90 -1.80 114.58 117.51 1cfc h GLU 83 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1cfc h GLU 83 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1cfc h GLU 83 CO 0.07 0.00 -0.85 0.93 -1.00 0.00 0.00 179.01 178.16 1cfc h GLU 84 N 0.00 0.00 0.07 2.33 4.39 -1.49 -2.63 114.58 117.25 1cfc h GLU 84 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1cfc h GLU 84 Cb 0.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1cfc h GLU 84 CO 0.00 0.85 -0.55 0.82 -1.16 0.00 0.00 179.01 178.96 1cfc h ILE 85 N 0.00 1.55 -0.41 3.13 2.04 -0.91 -2.51 117.51 120.40 1cfc h ILE 85 Ca -0.01 -2.34 -0.05 0.00 1.00 0.00 0.00 64.86 63.47 1cfc h ILE 85 Cb 1.56 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 40.69 1cfc h ILE 85 CO 0.11 0.65 0.06 0.08 0.00 0.00 0.00 178.15 179.06 1cfc h ARG 86 N -0.45 0.68 0.00 2.37 0.11 -1.62 0.12 114.38 115.60 1cfc h ARG 86 Ca -0.09 -0.19 -0.02 0.00 0.10 0.00 0.00 59.98 59.79 1cfc h ARG 86 Cb 1.38 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 1cfc h ARG 86 CO 0.11 0.73 -0.08 0.93 0.10 0.00 0.00 179.97 181.75 1cfc h GLU 87 N 0.54 0.00 0.16 0.08 5.08 -1.58 0.53 114.58 119.39 1cfc h GLU 87 Ca 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.25 1cfc h GLU 87 Cb 0.38 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.65 1cfc h GLU 87 CO 0.01 0.08 -1.03 0.00 -1.00 0.00 0.00 179.01 177.07 1cfc h ALA 88 N 1.92 -0.10 0.00 3.43 0.00 -0.88 -2.55 119.26 121.09 1cfc h ALA 88 Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1cfc h ALA 88 Cb 0.35 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cfc h ALA 88 CO 0.01 0.49 -0.05 0.74 0.00 0.00 0.00 179.25 180.44 1cfc h PHE 89 N -0.15 0.00 -0.27 0.00 0.04 -0.01 -0.34 116.94 116.22 1cfc h PHE 89 Ca -0.18 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.47 1cfc h PHE 89 Cb 1.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.94 1cfc h PHE 89 CO 0.17 0.05 -0.34 0.00 -0.60 0.00 0.00 178.31 177.59 1cfc h ARG 90 N 0.00 0.70 0.00 1.51 3.08 -0.77 -1.21 114.38 117.69 1cfc h ARG 90 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1cfc h ARG 90 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1cfc h ARG 90 CO 0.01 1.01 0.29 0.28 -1.07 0.00 0.00 179.97 180.49 1cfc h VAL 91 N 0.43 0.00 -0.00 2.04 2.07 -0.64 0.40 116.25 120.55 1cfc h VAL 91 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1cfc h VAL 91 Cb 0.92 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1cfc h VAL 91 CO 0.08 0.00 -0.96 0.49 0.02 0.00 0.00 177.57 177.20 1cfc n PHE 92 N -2.60 0.00 -2.54 1.57 3.01 -0.50 -4.61 117.46 111.79 1cfc n PHE 92 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1cfc n PHE 92 Cb 0.32 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1cfc n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cfc n ASP 93 N -1.44 5.17 0.31 4.37 2.03 0.14 -4.77 116.55 122.37 1cfc n ASP 93 Ca 0.04 -3.08 0.21 0.00 0.52 0.00 0.00 54.79 52.48 1cfc n ASP 93 Cb 0.34 -1.50 1.10 0.00 -0.72 0.00 0.00 41.12 40.34 1cfc n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cfc h LYS 94 N 6.13 0.00 -0.69 -0.67 1.57 -1.81 -0.43 116.57 120.66 1cfc h LYS 94 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1cfc h LYS 94 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1cfc h LYS 94 CO 1.50 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 180.13 1cfc n ASP 95 N -2.96 4.13 -3.10 0.86 9.92 -1.26 -4.92 116.55 119.22 1cfc n ASP 95 Ca -0.02 -2.17 -0.17 0.00 -0.53 0.00 0.00 54.79 51.89 1cfc n ASP 95 Cb 0.08 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.04 1cfc n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfc n GLY 96 N 1.43 -0.48 0.13 0.44 0.00 -0.17 -4.79 105.19 101.75 1cfc n GLY 96 Ca 0.24 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 1cfc n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cfc n ASN 97 N -2.01 1.98 0.00 1.61 4.05 -1.26 -5.01 115.26 114.61 1cfc n ASN 97 Ca -0.02 0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1cfc n ASN 97 Cb 0.53 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cfc n GLY 98 N 1.88 0.96 3.26 8.20 0.00 -1.26 -5.10 105.19 113.13 1cfc n GLY 98 Ca -0.48 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 1cfc n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cfc s TYR 99 N -2.00 1.86 0.14 1.61 1.51 -1.26 -4.16 117.35 115.05 1cfc s TYR 99 Ca 0.00 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1cfc s TYR 99 Cb 0.00 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1cfc s TYR 99 CO 0.00 0.09 0.07 0.96 -1.11 0.00 0.00 175.55 175.56 1cfc s ILE 100 N -0.79 0.09 0.26 2.71 -4.36 -1.19 -4.89 121.20 113.03 1cfc s ILE 100 Ca 0.08 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 1cfc s ILE 100 Cb -0.09 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.44 1cfc s ILE 100 CO 0.02 -0.41 1.04 -0.94 0.24 0.00 0.00 174.94 174.88 1cfc s SER 101 N -3.06 7.41 0.57 4.36 1.04 -1.26 -2.21 113.70 120.56 1cfc s SER 101 Ca 0.25 2.15 0.45 0.00 0.48 0.00 0.00 55.95 59.28 1cfc s SER 101 Cb 0.07 -2.62 1.56 0.00 0.10 0.00 0.00 66.02 65.13 1cfc s SER 101 CO 0.03 -0.03 1.51 0.00 0.98 0.00 0.00 173.24 175.73 1cfc h ALA 102 N 3.96 3.69 0.54 5.32 0.00 -1.93 0.18 119.26 131.02 1cfc h ALA 102 Ca -0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1cfc h ALA 102 Cb 1.21 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1cfc h ALA 102 CO 0.67 -2.30 -0.26 0.00 0.00 0.00 0.00 179.25 177.36 1cfc h ALA 103 N 0.89 -0.82 -0.55 0.00 0.00 -1.90 0.48 119.26 117.36 1cfc h ALA 103 Ca 0.84 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.75 1cfc h ALA 103 Cb 3.61 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 21.66 1cfc h ALA 103 CO -0.01 -0.77 0.55 0.93 0.00 0.00 0.00 179.25 179.95 1cfc h GLU 104 N -1.04 0.00 0.02 0.00 5.08 -1.05 0.14 114.58 117.74 1cfc h GLU 104 Ca -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1cfc h GLU 104 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1cfc h GLU 104 CO 0.12 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.37 1cfc h LEU 105 N 0.00 -0.03 -1.48 1.33 5.85 -0.97 -0.42 115.31 119.60 1cfc h LEU 105 Ca 0.26 -0.69 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1cfc h LEU 105 Cb 1.36 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1cfc h LEU 105 CO -0.00 0.71 0.40 -0.09 -0.34 0.00 0.00 178.44 179.12 1cfc h ARG 106 N -0.79 0.64 -0.33 1.25 2.43 0.12 -0.84 114.38 116.86 1cfc h ARG 106 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1cfc h ARG 106 Cb 0.71 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1cfc h ARG 106 CO 0.01 0.42 -0.07 1.25 -1.51 0.00 0.00 179.97 180.07 1cfc h HIS 107 N 0.66 0.71 -0.97 2.20 2.76 -0.76 -1.87 115.15 117.88 1cfc h HIS 107 Ca 0.25 -0.15 0.16 0.00 -2.20 0.00 0.00 60.37 58.43 1cfc h HIS 107 Cb 0.17 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 28.86 1cfc h HIS 107 CO -0.00 0.80 0.61 0.28 -1.30 0.00 0.00 177.93 178.32 1cfc h VAL 108 N 0.42 0.80 -0.00 5.26 2.07 0.36 0.29 116.25 125.45 1cfc h VAL 108 Ca 0.09 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1cfc h VAL 108 Cb 0.56 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1cfc h VAL 108 CO 0.03 0.14 -0.68 0.24 0.02 0.00 0.00 177.57 177.32 1cfc h MET 109 N 0.78 0.01 0.12 1.57 2.86 -0.96 -2.83 114.93 116.48 1cfc h MET 109 Ca 0.51 -0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.89 1cfc h MET 109 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1cfc h MET 109 CO -0.28 0.68 -1.30 1.79 1.06 0.00 0.00 176.91 178.86 1cfc h THR 110 N 0.00 1.11 -0.02 2.22 1.35 -0.15 -3.34 112.91 114.08 1cfc h THR 110 Ca -0.01 -2.42 -0.02 0.00 -0.55 0.00 0.00 66.41 63.41 1cfc h THR 110 Cb 1.20 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 70.41 1cfc h THR 110 CO 0.09 0.70 -0.09 -1.13 -0.25 0.00 0.00 175.52 174.84 1cfc h ASN 111 N -0.33 0.03 -0.01 5.36 -0.73 -0.63 -1.42 115.58 117.85 1cfc h ASN 111 Ca -0.28 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1cfc h ASN 111 Cb 1.73 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 40.31 1cfc h ASN 111 CO 0.07 0.12 0.01 -0.07 -0.37 0.00 0.00 177.43 177.18 1cfc h LEU 112 N 0.03 0.00 -0.06 0.34 3.38 -1.61 -3.45 115.31 113.93 1cfc h LEU 112 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cfc h LEU 112 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cfc h LEU 112 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1cfc n GLY 113 N -1.40 0.96 3.78 0.83 0.00 -0.53 -5.05 105.19 103.77 1cfc n GLY 113 Ca -0.03 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1cfc n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cfc s GLU 114 N -2.95 4.56 -0.13 1.61 0.41 -1.25 -4.92 118.70 116.03 1cfc s GLU 114 Ca 0.00 1.33 -0.00 0.00 -0.41 0.00 0.00 54.97 55.88 1cfc s GLU 114 Cb 0.00 -2.77 0.08 0.00 -1.78 0.00 0.00 34.13 29.66 1cfc s GLU 114 CO 0.00 0.26 2.03 1.63 -0.49 0.00 0.00 175.26 178.68 1cfc n LYS 115 N 0.50 1.34 -3.25 1.61 4.76 -1.26 -4.88 118.16 116.97 1cfc n LYS 115 Ca 0.02 -0.64 -0.39 0.00 -2.87 0.00 0.00 58.31 54.43 1cfc n LYS 115 Cb 0.50 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.37 1cfc n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cfc s LEU 116 N -0.73 4.53 0.41 -0.35 1.43 -1.26 -5.06 118.68 117.65 1cfc s LEU 116 Ca 0.13 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1cfc s LEU 116 Cb 0.10 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 1cfc s LEU 116 CO -0.00 0.26 0.84 0.42 0.23 0.00 0.00 176.35 178.10 1cfc s THR 117 N -1.07 4.63 0.47 5.49 -4.23 -1.26 -4.94 115.64 114.73 1cfc s THR 117 Ca 0.29 1.01 0.18 0.00 -1.18 0.00 0.00 61.69 61.99 1cfc s THR 117 Cb -0.20 -3.67 0.35 0.00 1.34 0.00 0.00 72.50 70.32 1cfc s THR 117 CO 0.19 -0.43 1.99 0.44 -0.54 0.00 0.00 174.62 176.28 1cfc h ASP 118 N 1.57 0.22 -0.02 3.99 3.32 -2.00 -1.58 116.42 121.92 1cfc h ASP 118 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1cfc h ASP 118 Cb 1.18 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1cfc h ASP 118 CO 0.63 0.13 0.01 -0.33 -1.72 0.00 0.00 179.24 177.96 1cfc h GLU 119 N 0.24 0.03 -0.94 3.56 3.07 -1.99 -0.76 114.58 117.79 1cfc h GLU 119 Ca 0.26 -0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.31 1cfc h GLU 119 Cb 0.68 -0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.47 1cfc h GLU 119 CO -0.05 0.12 0.52 0.93 -1.40 0.00 0.00 179.01 179.13 1cfc h GLU 120 N -0.07 0.61 -0.28 2.33 5.08 -1.67 0.16 114.58 120.74 1cfc h GLU 120 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1cfc h GLU 120 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1cfc h GLU 120 CO -0.00 0.40 0.05 0.28 -1.00 0.00 0.00 179.01 178.75 1cfc h VAL 121 N 0.63 1.22 -0.66 3.13 2.07 -1.25 -1.23 116.25 120.16 1cfc h VAL 121 Ca 0.56 -0.76 0.17 0.00 0.82 0.00 0.00 66.70 67.49 1cfc h VAL 121 Cb 0.93 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1cfc h VAL 121 CO -0.42 0.25 0.46 0.44 0.02 0.00 0.00 177.57 178.32 1cfc h ASP 122 N 0.28 0.13 -0.01 0.57 3.32 0.74 0.50 116.42 121.94 1cfc h ASP 122 Ca 0.09 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1cfc h ASP 122 Cb 0.32 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 39.86 1cfc h ASP 122 CO 0.00 0.07 -0.76 -0.08 -1.72 0.00 0.00 179.24 176.75 1cfc h GLU 123 N 0.14 0.53 -0.01 3.56 4.81 -0.55 -2.17 114.58 120.90 1cfc h GLU 123 Ca 0.32 -0.56 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1cfc h GLU 123 Cb 1.07 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1cfc h GLU 123 CO -0.04 1.19 -0.17 0.52 -0.73 0.00 0.00 179.01 179.77 1cfc h MET 124 N 0.10 0.01 0.00 1.92 2.86 0.49 -0.59 114.93 119.73 1cfc h MET 124 Ca -0.09 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1cfc h MET 124 Cb 1.44 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1cfc h MET 124 CO 0.15 0.19 -0.49 0.82 1.06 0.00 0.00 176.91 178.63 1cfc h ILE 125 N 0.01 0.97 0.00 -1.22 2.04 -0.07 -0.07 117.51 119.19 1cfc h ILE 125 Ca 0.00 -2.00 -0.09 0.00 1.00 0.00 0.00 64.86 63.77 1cfc h ILE 125 Cb 0.31 2.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1cfc h ILE 125 CO 0.02 0.48 -0.36 -0.09 0.00 0.00 0.00 178.15 178.21 1cfc h ARG 126 N 0.00 0.23 0.00 2.37 2.43 -0.47 -3.24 114.38 115.70 1cfc h ARG 126 Ca -0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1cfc h ARG 126 Cb 1.18 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1cfc h ARG 126 CO 0.06 0.98 0.00 0.93 -1.51 0.00 0.00 179.97 180.44 1cfc h GLU 127 N -0.41 0.00 -4.44 0.20 4.39 -1.36 -3.35 114.58 109.61 1cfc h GLU 127 Ca -0.05 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.91 1cfc h GLU 127 Cb 1.11 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.58 1cfc h GLU 127 CO 0.07 0.00 1.36 0.00 -1.16 0.00 0.00 179.01 179.28 1cfc n ALA 128 N -2.05 4.14 -1.43 3.43 0.00 -0.04 -4.92 120.51 119.65 1cfc n ALA 128 Ca 0.04 -4.30 -0.23 0.00 0.00 0.00 0.00 53.44 48.94 1cfc n ALA 128 Cb 0.49 -2.98 -0.21 0.00 0.00 0.00 0.00 19.45 16.76 1cfc n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cfc n ASP 129 N 5.04 -1.17 -4.20 0.00 5.75 -1.26 -4.72 116.55 115.99 1cfc n ASP 129 Ca 0.36 -0.43 -0.44 0.00 -0.01 0.00 0.00 54.79 54.27 1cfc n ASP 129 Cb 0.41 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1cfc n ILE 130 N 5.50 4.76 -2.19 2.12 5.41 -1.26 -4.86 119.36 128.84 1cfc n ILE 130 Ca 0.64 -5.36 0.00 0.00 1.00 0.00 0.00 62.75 59.03 1cfc n ILE 130 Cb 0.12 -2.38 0.00 0.00 -0.71 0.00 0.00 39.64 36.67 1cfc n ILE 130 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1cfc n ASP 131 N 2.80 0.00 0.00 4.38 2.03 -1.26 -4.91 116.55 119.59 1cfc n ASP 131 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1cfc n ASP 131 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1cfc n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 132 N 0.00 0.90 0.00 0.27 0.00 -1.26 -4.16 105.19 100.94 1cfc n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cfc n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfc n ASP 133 N 1.80 0.00 0.00 1.61 9.92 -1.26 -5.07 116.55 123.54 1cfc n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cfc n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1cfc n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cfc n GLY 134 N 0.84 0.00 3.21 0.44 0.00 -1.26 -5.14 105.19 103.28 1cfc n GLY 134 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1cfc n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfc s GLN 135 N 0.00 1.72 0.11 1.61 -0.21 -1.26 -3.52 119.66 118.11 1cfc s GLN 135 Ca 0.00 -0.73 0.09 0.00 0.02 0.00 0.00 55.36 54.74 1cfc s GLN 135 Cb 0.00 -1.63 -0.04 0.00 1.00 0.00 0.00 33.01 32.34 1cfc s GLN 135 CO 0.00 0.42 -0.22 0.08 -2.12 0.00 0.00 175.29 173.45 1cfc s VAL 136 N -0.41 1.79 -0.63 1.09 1.01 -0.94 -4.88 120.40 117.43 1cfc s VAL 136 Ca 0.06 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.18 1cfc s VAL 136 Cb -0.09 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1cfc s VAL 136 CO -0.00 -0.05 1.16 0.54 0.00 0.00 0.00 175.10 176.75 1cfc s ASN 137 N -1.96 6.33 0.65 3.32 2.20 -1.26 -3.19 114.94 121.02 1cfc s ASN 137 Ca 0.08 -0.21 0.06 0.00 -0.94 0.00 0.00 52.86 51.85 1cfc s ASN 137 Cb -0.10 -2.53 0.20 0.00 -2.00 0.00 0.00 41.25 36.83 1cfc s ASN 137 CO 0.05 -1.54 1.06 0.00 -2.94 0.00 0.00 177.10 173.72 1cfc n TYR 138 N 8.51 0.00 -0.11 1.54 0.18 -1.26 -1.92 117.16 124.10 1cfc n TYR 138 Ca 0.05 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.71 1cfc n TYR 138 Cb 0.49 -0.06 -0.07 0.00 -0.38 0.00 0.00 39.34 39.31 1cfc n TYR 138 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1cfc h GLU 139 N 0.00 -0.38 -0.96 -3.48 4.57 -1.88 0.45 114.58 112.90 1cfc h GLU 139 Ca 0.11 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1cfc h GLU 139 Cb 2.20 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 30.83 1cfc h GLU 139 CO -0.00 -0.25 0.63 0.93 -1.18 0.00 0.00 179.01 179.14 1cfc h GLU 140 N -0.40 1.22 -0.30 1.92 5.08 -1.80 -1.78 114.58 118.51 1cfc h GLU 140 Ca 0.10 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1cfc h GLU 140 Cb 0.61 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1cfc h GLU 140 CO -0.56 0.80 -0.10 0.74 -1.00 0.00 0.00 179.01 178.90 1cfc h PHE 141 N 1.25 0.52 0.35 4.33 0.04 -1.11 -2.96 116.94 119.37 1cfc h PHE 141 Ca 0.37 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 1cfc h PHE 141 Cb -0.07 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1cfc h PHE 141 CO -0.00 0.58 -0.24 0.28 -0.60 0.00 0.00 178.31 178.33 1cfc h VAL 142 N 0.46 0.49 -0.65 -0.55 2.07 0.71 -1.01 116.25 117.77 1cfc h VAL 142 Ca 0.09 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.80 1cfc h VAL 142 Cb 0.45 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1cfc h VAL 142 CO 0.02 0.00 0.50 1.56 0.02 0.00 0.00 177.57 179.68 1cfc h GLN 143 N -0.58 0.00 -0.04 1.57 4.20 -1.43 -0.53 115.11 118.30 1cfc h GLN 143 Ca -0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 1cfc h GLN 143 Cb 0.49 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1cfc h GLN 143 CO 0.01 0.00 -0.76 0.52 -0.67 0.00 0.00 178.83 177.93 1cfc h MET 144 N 0.00 0.58 0.00 1.46 2.86 -1.06 -2.93 114.93 115.84 1cfc h MET 144 Ca 0.31 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1cfc h MET 144 Cb 1.32 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1cfc h MET 144 CO -0.00 1.20 -0.05 0.52 1.06 0.00 0.00 176.91 179.63 1cfc h MET 145 N 0.19 0.00 0.00 1.72 2.86 -0.15 -3.26 114.93 116.29 1cfc h MET 145 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1cfc h MET 145 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1cfc h MET 145 CO 0.15 0.05 0.00 0.25 1.06 0.00 0.00 176.91 178.42 1cfc n THR 146 N -3.32 0.00 0.00 2.22 -2.24 -0.92 -5.00 114.28 105.01 1cfc n THR 146 Ca -0.02 0.49 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1cfc n THR 146 Cb 0.20 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1cfc n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfc n ALA 147 N -1.43 0.00 -1.10 6.98 0.00 -1.11 -5.13 120.51 118.71 1cfc n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cfc n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cfc n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13