#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 0.00 -1.01 0.00 2.03 -1.26 -4.85 116.55 111.46 1cfc n ASP 2 Ca 0.00 -1.41 0.04 0.00 0.52 0.00 0.00 54.79 53.94 1cfc n ASP 2 Cb 0.00 -0.08 0.18 0.00 -0.72 0.00 0.00 41.12 40.50 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfc n GLN 3 N 0.00 2.56 -1.78 -0.67 6.02 -1.26 -4.90 117.38 117.34 1cfc n GLN 3 Ca 0.00 -1.43 -0.42 0.00 -0.01 0.00 0.00 57.00 55.14 1cfc n GLN 3 Cb 0.58 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.22 4.38 0.69 1.08 1.43 -1.26 -4.97 118.68 118.81 1cfc s LEU 4 Ca 0.25 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 56.01 1cfc s LEU 4 Cb 0.18 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1cfc s LEU 4 CO 0.10 -0.95 1.06 0.42 0.23 0.00 0.00 176.35 177.22 1cfc s THR 5 N 1.65 4.00 0.48 5.49 -4.23 -1.26 -4.83 115.64 116.94 1cfc s THR 5 Ca 0.75 0.66 0.14 0.00 -1.18 0.00 0.00 61.69 62.06 1cfc s THR 5 Cb -0.47 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.27 1cfc s THR 5 CO 0.33 -0.84 2.10 -0.33 -0.54 0.00 0.00 174.62 175.34 1cfc h GLU 6 N -0.69 0.20 -0.23 3.99 5.08 -1.99 -1.24 114.58 119.71 1cfc h GLU 6 Ca -0.44 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 1cfc h GLU 6 Cb 1.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1cfc h GLU 6 CO 0.57 0.14 -0.49 0.93 -1.00 0.00 0.00 179.01 179.16 1cfc h GLU 7 N 0.21 0.74 -0.64 2.33 4.39 -1.99 -1.82 114.58 117.80 1cfc h GLU 7 Ca 0.09 -0.48 -0.08 0.00 0.34 0.00 0.00 59.36 59.23 1cfc h GLU 7 Cb 0.09 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1cfc h GLU 7 CO -0.02 1.11 0.10 1.96 -1.16 0.00 0.00 179.01 181.00 1cfc h GLN 8 N 0.46 1.05 -0.37 2.33 4.20 -1.69 0.11 115.11 121.21 1cfc h GLN 8 Ca 0.00 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 1cfc h GLN 8 Cb 1.09 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1cfc h GLN 8 CO 0.11 0.97 -0.12 0.82 -0.67 0.00 0.00 178.83 179.93 1cfc h ILE 9 N 0.99 1.25 -0.04 2.54 2.04 -1.21 -2.63 117.51 120.46 1cfc h ILE 9 Ca 0.20 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1cfc h ILE 9 Cb 0.42 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1cfc h ILE 9 CO 0.01 0.38 -0.06 0.00 0.00 0.00 0.00 178.15 178.48 1cfc h ALA 10 N 1.27 0.06 -0.61 1.87 0.00 -0.74 -1.82 119.26 119.28 1cfc h ALA 10 Ca 0.10 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1cfc h ALA 10 Cb 0.56 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1cfc h ALA 10 CO 0.04 -0.13 -0.10 1.49 0.00 0.00 0.00 179.25 180.55 1cfc h GLU 11 N -0.39 0.04 0.00 0.00 4.22 -0.69 0.64 114.58 118.40 1cfc h GLU 11 Ca 0.00 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.38 1cfc h GLU 11 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1cfc h GLU 11 CO 0.01 0.02 -0.32 0.74 -2.18 0.00 0.00 179.01 177.29 1cfc h PHE 12 N 0.04 0.00 -0.29 0.92 0.04 -1.46 -1.99 116.94 114.20 1cfc h PHE 12 Ca 0.30 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.93 1cfc h PHE 12 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1cfc h PHE 12 CO -0.45 0.32 -0.39 -0.22 -0.60 0.00 0.00 178.31 176.96 1cfc h LYS 13 N 0.00 0.77 -0.49 1.51 3.64 0.11 0.85 116.57 122.95 1cfc h LYS 13 Ca -0.00 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 1cfc h LYS 13 Cb 0.62 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1cfc h LYS 13 CO 0.04 1.08 -0.03 0.93 -2.27 0.00 0.00 179.45 179.20 1cfc h GLU 14 N 0.53 0.89 -0.02 1.90 5.08 -0.61 0.58 114.58 122.92 1cfc h GLU 14 Ca 0.03 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1cfc h GLU 14 Cb 0.99 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1cfc h GLU 14 CO 0.09 0.94 -0.32 0.00 -1.00 0.00 0.00 179.01 178.72 1cfc h ALA 15 N 0.92 1.42 0.04 3.43 0.00 -1.28 -1.64 119.26 122.15 1cfc h ALA 15 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1cfc h ALA 15 Cb 0.55 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cfc h ALA 15 CO 0.03 0.43 -0.71 0.35 0.00 0.00 0.00 179.25 179.35 1cfc h PHE 16 N 0.04 0.64 0.00 0.00 3.04 -0.32 -3.23 116.94 117.11 1cfc h PHE 16 Ca 0.00 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.58 1cfc h PHE 16 Cb 0.59 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1cfc h PHE 16 CO 0.00 1.22 0.00 0.77 -2.02 0.00 0.00 178.31 178.28 1cfc h SER 17 N -0.12 0.00 0.08 0.41 0.02 -0.77 -2.77 113.55 110.40 1cfc h SER 17 Ca -0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1cfc h SER 17 Cb 1.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 1cfc h SER 17 CO 0.14 0.00 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.75 1cfc h LEU 18 N 0.00 0.00 -2.85 5.07 3.38 -1.31 -2.12 115.31 117.47 1cfc h LEU 18 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1cfc h LEU 18 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1cfc h LEU 18 CO 0.00 0.00 -0.23 0.49 0.09 0.00 0.00 178.44 178.79 1cfc n PHE 19 N -3.20 0.00 -2.96 1.13 3.01 -1.05 -4.87 117.46 109.53 1cfc n PHE 19 Ca -0.03 -0.93 -0.43 0.00 1.01 0.00 0.00 57.45 57.07 1cfc n PHE 19 Cb 0.09 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.42 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 -1.06 6.50 0.00 4.37 2.03 -0.80 -4.72 116.55 122.86 1cfc n ASP 20 Ca 0.14 -3.43 0.12 0.00 0.52 0.00 0.00 54.79 52.14 1cfc n ASP 20 Cb 0.69 -1.27 0.72 0.00 -0.72 0.00 0.00 41.12 40.54 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 1.24 0.97 -0.11 -0.67 4.76 -1.26 -2.99 118.16 120.10 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 0.33 -1.39 0.18 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.89 3.22 -0.84 4.39 9.92 -1.26 -4.91 116.55 126.17 1cfc n ASP 22 Ca 0.18 -1.98 -0.06 0.00 -0.53 0.00 0.00 54.79 52.40 1cfc n ASP 22 Cb 0.08 -0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.40 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 1.43 0.58 0.87 0.44 0.00 -1.16 -4.66 105.19 102.69 1cfc n GLY 23 Ca 0.17 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 0.39 2.80 -0.74 1.61 2.03 -1.26 -4.95 116.55 116.42 1cfc n ASP 24 Ca -0.06 -1.90 -0.07 0.00 0.52 0.00 0.00 54.79 53.28 1cfc n ASP 24 Cb 0.27 0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 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 1.36 0.21 3.16 0.27 0.00 -1.26 -5.02 105.19 103.90 1cfc n GLY 25 Ca 0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.33 0.12 0.16 2.61 -4.23 -1.26 -3.56 115.64 107.16 1cfc s THR 26 Ca 0.00 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1cfc s THR 26 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1cfc s THR 26 CO 0.00 -0.41 0.09 0.27 -0.54 0.00 0.00 174.62 174.03 1cfc s ILE 27 N -4.04 0.05 0.53 2.99 -4.36 -0.43 -4.53 121.20 111.41 1cfc s ILE 27 Ca 0.26 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1cfc s ILE 27 Cb 0.07 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.55 1cfc s ILE 27 CO 0.03 -0.24 0.75 0.42 0.24 0.00 0.00 174.94 176.14 1cfc s THR 28 N -4.10 2.92 0.29 8.37 -4.23 -1.26 -1.02 115.64 116.61 1cfc s THR 28 Ca 0.31 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1cfc s THR 28 Cb 0.07 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1cfc s THR 28 CO 0.07 -0.06 1.68 0.71 -0.54 0.00 0.00 174.62 176.48 1cfc h THR 29 N 0.15 1.33 -0.15 3.99 1.35 -1.88 -2.63 112.91 115.07 1cfc h THR 29 Ca -0.43 -1.61 0.04 0.00 -0.55 0.00 0.00 66.41 63.86 1cfc h THR 29 Cb 1.29 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 1cfc h THR 29 CO 0.53 0.48 0.12 0.11 -0.25 0.00 0.00 175.52 176.50 1cfc h LYS 30 N 0.17 0.00 -0.51 4.72 1.57 -1.94 0.43 116.57 121.01 1cfc h LYS 30 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1cfc h LYS 30 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1cfc h LYS 30 CO 0.07 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.34 1cfc n GLU 31 N -4.28 2.59 -0.01 3.15 1.02 -1.00 -4.44 120.64 117.67 1cfc n GLU 31 Ca 0.01 -2.43 -0.13 0.00 -0.02 0.00 0.00 57.16 54.59 1cfc n GLU 31 Cb 0.24 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.04 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 4.45 0.06 -1.81 -4.62 5.85 -0.77 -1.96 115.31 116.52 1cfc h LEU 32 Ca 0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1cfc h LEU 32 Cb 0.99 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1cfc h LEU 32 CO 0.00 0.40 -0.14 1.23 -0.34 0.00 0.00 178.44 179.59 1cfc h GLY 33 N -0.27 0.00 1.04 3.75 0.00 -1.78 -2.29 103.07 103.52 1cfc h GLY 33 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1cfc h GLY 33 CO 0.00 0.00 -0.59 -0.84 0.00 0.00 0.00 176.54 175.11 1cfc h THR 34 N 0.00 1.31 -0.25 4.70 2.02 -1.74 -1.61 112.91 117.35 1cfc h THR 34 Ca -0.00 -1.83 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 1cfc h THR 34 Cb 0.38 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1cfc h THR 34 CO 0.02 0.57 0.02 0.58 0.37 0.00 0.00 175.52 177.08 1cfc h VAL 35 N 0.39 1.24 -0.94 3.16 2.07 -0.98 -1.35 116.25 119.85 1cfc h VAL 35 Ca -0.03 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1cfc h VAL 35 Cb 1.22 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1cfc h VAL 35 CO 0.13 0.26 0.62 0.24 0.02 0.00 0.00 177.57 178.84 1cfc h MET 36 N 0.22 1.21 0.00 1.57 2.86 -1.44 -0.24 114.93 119.11 1cfc h MET 36 Ca 0.07 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1cfc h MET 36 Cb 0.37 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1cfc h MET 36 CO 0.01 0.80 -0.25 0.00 1.06 0.00 0.00 176.91 178.53 1cfc h ARG 37 N 1.25 0.00 0.00 1.72 3.08 -0.97 -2.02 114.38 117.44 1cfc h ARG 37 Ca 0.35 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.33 1cfc h ARG 37 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1cfc h ARG 37 CO -0.09 0.25 -0.33 0.66 -1.07 0.00 0.00 179.97 179.40 1cfc h SER 38 N 0.00 0.00 -0.02 7.04 4.64 0.12 -1.56 113.55 123.77 1cfc h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cfc h SER 38 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1cfc h SER 38 CO 0.03 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.50 1cfc n LEU 39 N -3.98 0.77 0.00 5.97 4.77 -0.81 -4.88 117.00 118.85 1cfc n LEU 39 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1cfc n LEU 39 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1cfc n LEU 39 CO 0.37 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1cfc n GLY 40 N 1.08 0.70 3.90 -0.72 0.00 -0.59 -5.07 105.19 104.49 1cfc n GLY 40 Ca 0.21 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.89 3.32 -0.42 1.61 -0.21 -0.91 -5.01 119.66 117.15 1cfc s GLN 41 Ca 0.00 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 54.86 1cfc s GLN 41 Cb 0.00 -2.93 0.21 0.00 1.00 0.00 0.00 33.01 31.29 1cfc s GLN 41 CO 0.00 0.55 0.44 -1.71 -2.12 0.00 0.00 175.29 172.45 1cfc n ASN 42 N -0.13 0.08 -4.78 5.90 5.15 -1.26 -3.75 115.26 116.48 1cfc n ASN 42 Ca -0.07 -2.58 -0.37 0.00 -0.60 0.00 0.00 54.58 50.96 1cfc n ASN 42 Cb 0.53 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 39.15 1cfc n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1cfc s PRO 43 N -0.65 3.89 1.08 1.20 0.04 -1.26 -5.02 135.00 134.28 1cfc s PRO 43 Ca 0.34 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 1cfc s PRO 43 Cb 0.10 -2.43 0.23 0.00 0.04 0.00 0.00 34.50 32.44 1cfc s PRO 43 CO -0.15 -0.42 1.10 0.95 0.04 0.00 0.00 177.00 178.52 1cfc s THR 44 N -1.60 1.86 0.18 1.26 -4.23 -1.26 -4.80 115.64 107.04 1cfc s THR 44 Ca 0.62 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.03 1cfc s THR 44 Cb -0.26 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.17 1cfc s THR 44 CO 0.32 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.75 1cfc h GLU 45 N -2.17 1.01 -0.45 3.99 4.39 -1.99 -2.21 114.58 117.15 1cfc h GLU 45 Ca -0.52 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 58.86 1cfc h GLU 45 Cb 1.32 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1cfc h GLU 45 CO 0.49 0.92 -0.03 0.00 -1.16 0.00 0.00 179.01 179.24 1cfc h ALA 46 N 1.04 1.12 -0.71 3.43 0.00 -1.98 0.16 119.26 122.33 1cfc h ALA 46 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1cfc h ALA 46 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1cfc h ALA 46 CO 0.00 0.56 0.34 0.93 0.00 0.00 0.00 179.25 181.08 1cfc h GLU 47 N 0.69 1.01 -0.08 0.00 5.08 -1.81 0.14 114.58 119.61 1cfc h GLU 47 Ca 0.13 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1cfc h GLU 47 Cb 0.46 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1cfc h GLU 47 CO 0.02 0.78 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.48 1cfc h LEU 48 N 1.01 0.38 -1.70 1.33 3.38 -0.75 -3.07 115.31 115.88 1cfc h LEU 48 Ca 0.25 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1cfc h LEU 48 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1cfc h LEU 48 CO -0.03 0.93 -0.11 1.56 0.09 0.00 0.00 178.44 180.87 1cfc h GLN 49 N -0.15 0.00 -0.10 1.13 1.08 -0.39 -2.12 115.11 114.56 1cfc h GLN 49 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1cfc h GLN 49 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1cfc h GLN 49 CO 0.06 0.11 -0.28 -0.44 -0.95 0.00 0.00 178.83 177.33 1cfc h ASP 50 N 0.00 0.43 0.34 1.46 5.19 -0.69 -1.78 116.42 121.37 1cfc h ASP 50 Ca -0.00 -0.59 -0.11 0.00 -0.62 0.00 0.00 57.03 55.71 1cfc h ASP 50 Cb 0.46 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1cfc h ASP 50 CO 0.01 0.94 -0.45 0.24 -3.12 0.00 0.00 179.24 176.87 1cfc h MET 51 N -0.07 0.14 -0.38 3.56 2.86 -1.42 -2.89 114.93 116.72 1cfc h MET 51 Ca -0.01 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1cfc h MET 51 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1cfc h MET 51 CO 0.06 0.56 -0.03 0.82 1.06 0.00 0.00 176.91 179.38 1cfc h ILE 52 N 0.11 1.27 -0.71 -1.22 2.04 -1.31 -0.23 117.51 117.46 1cfc h ILE 52 Ca 0.01 -1.06 0.15 0.00 1.00 0.00 0.00 64.86 64.95 1cfc h ILE 52 Cb 0.84 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1cfc h ILE 52 CO 0.06 0.36 0.48 -1.13 0.00 0.00 0.00 178.15 177.92 1cfc h ASN 53 N 0.51 0.33 0.00 1.72 -1.24 -1.11 0.82 115.58 116.61 1cfc h ASN 53 Ca 0.10 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1cfc h ASN 53 Cb 0.52 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 1cfc h ASN 53 CO 0.03 0.17 -0.07 -0.33 -1.29 0.00 0.00 177.43 175.93 1cfc h GLU 54 N 0.35 0.00 0.00 6.67 5.08 -1.40 -3.33 114.58 121.94 1cfc h GLU 54 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1cfc h GLU 54 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1cfc h GLU 54 CO -0.10 0.56 -0.07 0.28 -1.00 0.00 0.00 179.01 178.68 1cfc h VAL 55 N -1.00 1.02 0.00 3.13 2.07 -0.67 -1.99 116.25 118.80 1cfc h VAL 55 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1cfc h VAL 55 Cb 0.59 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1cfc h VAL 55 CO -0.01 0.07 0.00 -0.67 0.02 0.00 0.00 177.57 176.98 1cfc n ASP 56 N -4.41 5.15 0.17 0.57 2.03 0.28 -3.96 116.55 116.37 1cfc n ASP 56 Ca -0.03 -2.37 0.06 0.00 0.52 0.00 0.00 54.79 52.98 1cfc n ASP 56 Cb 0.15 -1.08 0.08 0.00 -0.72 0.00 0.00 41.12 39.55 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 1.09 0.80 0.00 -1.67 0.00 -1.54 -3.07 119.26 114.88 1cfc h ALA 57 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cfc h ALA 57 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cfc h ALA 57 CO 0.00 0.38 0.00 0.22 0.00 0.00 0.00 179.25 179.85 1cfc h ASP 58 N 0.00 0.00 -0.97 0.00 1.82 -1.86 -3.47 116.42 111.94 1cfc h ASP 58 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cfc h ASP 58 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1cfc h ASP 58 CO 0.04 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1cfc n GLY 59 N 1.12 0.86 0.00 -0.78 0.00 -1.16 -5.01 105.19 100.22 1cfc n GLY 59 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1cfc n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cfc n ASN 60 N 0.77 0.00 0.00 1.61 4.13 -1.26 -5.12 115.26 115.39 1cfc n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cfc n ASN 60 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1cfc n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cfc n GLY 61 N 1.33 -0.19 3.09 7.41 0.00 -1.26 -5.07 105.19 110.50 1cfc n GLY 61 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.22 -0.01 2.61 -4.23 -1.26 -3.00 115.64 109.97 1cfc s THR 62 Ca 0.00 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1cfc s THR 62 Cb 0.00 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.34 1cfc s THR 62 CO 0.00 -1.00 0.01 -0.63 -0.54 0.00 0.00 174.62 172.47 1cfc s ILE 63 N -3.91 -0.02 0.33 2.99 1.01 -0.18 -4.89 121.20 116.54 1cfc s ILE 63 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1cfc s ILE 63 Cb 0.08 -0.04 -0.02 0.00 0.01 0.00 0.00 42.46 42.49 1cfc s ILE 63 CO -0.10 0.03 0.38 1.51 0.00 0.00 0.00 174.94 176.76 1cfc s ASP 64 N 0.33 5.63 0.17 3.58 1.47 -1.26 -1.32 116.67 125.28 1cfc s ASP 64 Ca -0.03 -0.34 -0.14 0.00 1.18 0.00 0.00 52.55 53.22 1cfc s ASP 64 Cb -0.04 -1.11 0.09 0.00 -0.34 0.00 0.00 42.92 41.52 1cfc s ASP 64 CO -0.01 -0.39 1.81 0.15 0.68 0.00 0.00 175.17 177.42 1cfc h PHE 65 N 1.08 0.56 -0.16 2.11 3.57 -1.97 -0.85 116.94 121.28 1cfc h PHE 65 Ca -0.45 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.12 1cfc h PHE 65 Cb 1.25 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1cfc h PHE 65 CO 0.48 0.32 -0.29 -1.35 -2.23 0.00 0.00 178.31 175.24 1cfc h PRO 66 N 0.60 -0.33 -0.21 6.41 0.11 -1.96 0.15 132.00 136.78 1cfc h PRO 66 Ca 0.20 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1cfc h PRO 66 Cb 0.01 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1cfc h PRO 66 CO -0.09 -0.22 0.04 0.93 -0.21 0.00 0.00 178.00 178.45 1cfc h GLU 67 N -0.35 0.29 -0.66 1.05 5.08 -1.92 -1.15 114.58 116.92 1cfc h GLU 67 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1cfc h GLU 67 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1cfc h GLU 67 CO -0.36 0.28 0.28 0.35 -1.00 0.00 0.00 179.01 178.56 1cfc h PHE 68 N 0.29 0.97 0.00 4.33 3.57 0.69 -0.08 116.94 126.71 1cfc h PHE 68 Ca 0.07 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1cfc h PHE 68 Cb 0.13 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1cfc h PHE 68 CO 0.00 0.74 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.54 1cfc h LEU 69 N 0.95 0.00 -0.61 0.59 3.38 0.26 -1.88 115.31 118.00 1cfc h LEU 69 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1cfc h LEU 69 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1cfc h LEU 69 CO -0.02 0.21 -0.48 0.74 0.09 0.00 0.00 178.44 178.97 1cfc h THR 70 N 0.00 0.99 0.03 0.22 2.02 -0.66 -1.11 112.91 114.40 1cfc h THR 70 Ca -0.00 -1.90 -0.12 0.00 0.77 0.00 0.00 66.41 65.16 1cfc h THR 70 Cb 0.54 2.15 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1cfc h THR 70 CO 0.03 0.47 -0.49 0.24 0.37 0.00 0.00 175.52 176.14 1cfc h MET 71 N 0.00 0.27 -0.23 6.66 2.86 -0.69 -2.71 114.93 121.09 1cfc h MET 71 Ca -0.00 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.20 1cfc h MET 71 Cb 1.11 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1cfc h MET 71 CO 0.06 1.07 -0.28 0.52 1.06 0.00 0.00 176.91 179.34 1cfc h MET 72 N -0.37 0.46 -0.05 1.72 2.07 -1.45 -2.52 114.93 114.79 1cfc h MET 72 Ca -0.07 -0.18 -0.09 0.00 -2.07 0.00 0.00 59.70 57.29 1cfc h MET 72 Cb 1.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.96 1cfc h MET 72 CO 0.09 0.70 -0.39 0.00 1.07 0.00 0.00 176.91 178.38 1cfc h ALA 73 N 1.30 1.26 -0.43 6.32 0.00 -1.25 -0.87 119.26 125.59 1cfc h ALA 73 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1cfc h ALA 73 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1cfc h ALA 73 CO 0.05 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1cfc h ARG 74 N 0.09 0.74 -0.11 0.00 2.47 -1.11 14.65 114.38 131.10 1cfc h ARG 74 Ca 0.01 -0.22 -0.22 0.00 -1.26 0.00 0.00 59.98 58.28 1cfc h ARG 74 Cb 0.74 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1cfc h ARG 74 CO 0.06 0.80 -0.81 0.87 0.56 0.00 0.00 179.97 181.44 1cfc h LYS 75 N 0.68 0.69 -0.00 0.04 1.79 -1.29 -2.88 116.57 115.59 1cfc h LYS 75 Ca 0.12 -0.59 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1cfc h LYS 75 Cb 0.52 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1cfc h LYS 75 CO 0.03 1.20 -0.36 -1.33 -1.08 0.00 0.00 179.45 177.91 1cfc n MET 76 N -3.90 0.32 -0.01 3.15 2.81 -0.37 -4.21 117.12 114.92 1cfc n MET 76 Ca -0.07 -0.18 0.20 0.00 -1.81 0.00 0.00 57.70 55.84 1cfc n MET 76 Cb 0.76 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 32.45 1cfc n MET 76 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1cfc h LYS 77 N 0.43 0.02 -1.39 0.03 2.10 3.35 -2.06 116.57 119.05 1cfc h LYS 77 Ca 0.00 -0.00 0.47 0.00 -2.00 0.00 0.00 60.65 59.12 1cfc h LYS 77 Cb 0.49 -0.01 -0.13 0.00 -0.90 0.00 0.00 32.23 31.69 1cfc h LYS 77 CO 0.00 0.02 0.91 -3.47 -2.00 0.00 0.00 179.45 174.91 1cfc n ASP 78 N -4.38 0.18 -2.26 7.07 -0.08 -1.26 0.16 116.55 115.97 1cfc n ASP 78 Ca 0.10 1.28 -0.31 0.00 -1.51 0.00 0.00 54.79 54.35 1cfc n ASP 78 Cb 0.60 -0.63 0.05 0.00 2.34 0.00 0.00 41.12 43.48 1cfc n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1cfc n THR 79 N -4.53 3.22 -0.85 5.18 5.66 -0.77 -4.99 114.28 117.19 1cfc n THR 79 Ca 0.39 -3.52 -0.35 0.00 -3.05 0.00 0.00 64.05 57.52 1cfc n THR 79 Cb 1.55 -1.16 0.10 0.00 -1.55 0.00 0.00 70.33 69.27 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 -0.81 -3.07 0.17 1.09 8.00 0.44 -4.82 116.55 117.54 1cfc n ASP 80 Ca 0.55 0.02 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1cfc n ASP 80 Cb 0.74 -0.79 0.11 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.47 0.00 -0.17 -2.24 0.87 -1.96 -3.25 113.55 105.32 1cfc h SER 81 Ca -0.46 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1cfc h SER 81 Cb 1.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1cfc h SER 81 CO 0.29 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 176.27 1cfc h GLU 82 N 0.00 0.30 0.00 2.24 5.08 -1.96 -1.41 114.58 118.83 1cfc h GLU 82 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1cfc h GLU 82 Cb 0.99 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1cfc h GLU 82 CO 0.00 0.50 0.00 0.93 -1.00 0.00 0.00 179.01 179.44 1cfc h GLU 83 N 0.05 0.00 0.16 2.33 5.08 -1.90 -0.45 114.58 119.85 1cfc h GLU 83 Ca 0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 1cfc h GLU 83 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1cfc h GLU 83 CO 0.01 0.00 -1.34 0.93 -1.00 0.00 0.00 179.01 177.61 1cfc h GLU 84 N 0.00 0.34 0.01 2.33 4.39 -1.48 -2.83 114.58 117.34 1cfc h GLU 84 Ca 0.00 -0.58 -0.20 0.00 0.34 0.00 0.00 59.36 58.92 1cfc h GLU 84 Cb 0.27 0.22 0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1cfc h GLU 84 CO 0.00 1.28 -0.78 0.82 -1.16 0.00 0.00 179.01 179.17 1cfc h ILE 85 N -0.16 1.38 -0.29 3.13 2.04 -0.97 -2.56 117.51 120.07 1cfc h ILE 85 Ca -0.26 -2.17 -0.04 0.00 1.00 0.00 0.00 64.86 63.38 1cfc h ILE 85 Cb 1.87 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 40.50 1cfc h ILE 85 CO 0.14 0.65 0.01 -0.09 0.00 0.00 0.00 178.15 178.86 1cfc h ARG 86 N 0.06 0.50 0.00 2.37 2.43 -1.25 0.13 114.38 118.62 1cfc h ARG 86 Ca -0.10 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1cfc h ARG 86 Cb 1.48 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1cfc h ARG 86 CO 0.15 0.64 -0.02 0.93 -1.51 0.00 0.00 179.97 180.16 1cfc h GLU 87 N 0.30 0.00 0.05 0.20 5.08 -1.58 0.19 114.58 118.82 1cfc h GLU 87 Ca 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1cfc h GLU 87 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1cfc h GLU 87 CO 0.01 0.02 -0.27 0.00 -1.00 0.00 0.00 179.01 177.77 1cfc h ALA 88 N 1.98 -0.03 -0.07 3.43 0.00 -0.90 -2.36 119.26 121.31 1cfc h ALA 88 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1cfc h ALA 88 Cb 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cfc h ALA 88 CO 0.00 0.13 0.08 0.74 0.00 0.00 0.00 179.25 180.20 1cfc h PHE 89 N -0.79 0.00 -0.14 0.00 0.04 0.08 0.99 116.94 117.12 1cfc h PHE 89 Ca -0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1cfc h PHE 89 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1cfc h PHE 89 CO 0.25 0.00 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.77 1cfc h ARG 90 N 0.00 0.32 0.00 1.51 2.43 -0.52 -1.46 114.38 116.66 1cfc h ARG 90 Ca 0.03 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1cfc h ARG 90 Cb 0.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1cfc h ARG 90 CO -0.00 0.68 0.36 0.28 -1.51 0.00 0.00 179.97 179.77 1cfc h VAL 91 N -0.04 0.00 0.00 0.20 2.07 -0.27 0.39 116.25 118.61 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 0.60 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1cfc h VAL 91 CO 0.03 0.00 -1.08 0.49 0.02 0.00 0.00 177.57 177.03 1cfc n PHE 92 N -2.70 0.00 -2.30 1.57 3.01 -0.61 -4.56 117.46 111.86 1cfc n PHE 92 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1cfc n PHE 92 Cb 0.39 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 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 -1.57 5.83 0.33 4.37 2.03 0.14 -4.75 116.55 122.92 1cfc n ASP 93 Ca 0.03 -3.14 0.19 0.00 0.52 0.00 0.00 54.79 52.39 1cfc n ASP 93 Cb 0.35 -1.44 1.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 5.46 0.00 -0.48 -0.67 1.57 -1.80 0.17 116.57 120.81 1cfc h LYS 94 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1cfc h LYS 94 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1cfc h LYS 94 CO 1.58 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.99 1cfc n ASP 95 N -2.93 3.55 -3.66 0.86 -0.08 -1.26 -4.94 116.55 108.09 1cfc n ASP 95 Ca -0.02 -1.99 -0.27 0.00 -1.51 0.00 0.00 54.79 51.00 1cfc n ASP 95 Cb 0.21 -0.32 -0.02 0.00 2.34 0.00 0.00 41.12 43.33 1cfc n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cfc n GLY 96 N 1.55 -0.47 0.12 0.27 0.00 0.60 -4.81 105.19 102.45 1cfc n GLY 96 Ca 0.21 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.32 1.63 0.00 1.61 5.15 -1.26 -5.01 115.26 115.06 1cfc n ASN 97 Ca 0.03 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1cfc n ASN 97 Cb 0.51 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cfc n GLY 98 N 2.16 0.95 3.04 8.20 0.00 -1.26 -5.10 105.19 113.16 1cfc n GLY 98 Ca -0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 0.62 0.15 1.61 1.51 -1.26 -4.34 117.35 113.64 1cfc s TYR 99 Ca 0.00 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1cfc s TYR 99 Cb 0.00 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1cfc s TYR 99 CO 0.00 -0.06 0.09 0.96 -1.11 0.00 0.00 175.55 175.42 1cfc s ILE 100 N -1.06 0.07 0.26 2.71 -4.36 -1.15 -4.90 121.20 112.77 1cfc s ILE 100 Ca -0.07 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 1cfc s ILE 100 Cb -0.08 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 1cfc s ILE 100 CO 0.00 -0.33 1.02 -0.94 0.24 0.00 0.00 174.94 174.93 1cfc s SER 101 N -3.07 7.45 0.51 4.36 1.04 -1.26 -2.45 113.70 120.27 1cfc s SER 101 Ca 0.28 2.12 0.43 0.00 0.48 0.00 0.00 55.95 59.26 1cfc s SER 101 Cb 0.07 -2.62 1.64 0.00 0.10 0.00 0.00 66.02 65.22 1cfc s SER 101 CO 0.04 -0.00 1.58 0.00 0.98 0.00 0.00 173.24 175.84 1cfc h ALA 102 N 3.98 3.45 0.58 5.32 0.00 -1.91 0.47 119.26 131.16 1cfc h ALA 102 Ca -0.46 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1cfc h ALA 102 Cb 1.21 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1cfc h ALA 102 CO 0.67 -2.07 -0.28 0.00 0.00 0.00 0.00 179.25 177.57 1cfc h ALA 103 N 1.25 -0.78 -0.27 0.00 0.00 -1.93 0.36 119.26 117.89 1cfc h ALA 103 Ca 0.92 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.72 1cfc h ALA 103 Cb 3.39 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 21.48 1cfc h ALA 103 CO -0.20 -0.89 0.20 0.93 0.00 0.00 0.00 179.25 179.30 1cfc h GLU 104 N -0.89 0.00 -0.06 0.00 5.08 -0.46 0.21 114.58 118.46 1cfc h GLU 104 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1cfc h GLU 104 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1cfc h GLU 104 CO 0.13 0.00 -0.09 1.25 -1.00 0.00 0.00 179.01 179.30 1cfc h LEU 105 N 0.00 0.18 -1.75 1.33 5.85 -0.36 0.21 115.31 120.77 1cfc h LEU 105 Ca 0.13 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1cfc h LEU 105 Cb 0.53 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1cfc h LEU 105 CO -0.00 0.69 -0.14 0.03 -0.34 0.00 0.00 178.44 178.68 1cfc h ARG 106 N -0.31 0.00 -0.09 1.25 3.08 0.96 -1.90 114.38 117.37 1cfc h ARG 106 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1cfc h ARG 106 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1cfc h ARG 106 CO 0.02 0.14 -0.55 1.25 -1.07 0.00 0.00 179.97 179.76 1cfc h HIS 107 N 0.00 0.73 -0.88 3.04 2.76 -0.37 -1.87 115.15 118.56 1cfc h HIS 107 Ca -0.00 -0.33 0.10 0.00 -2.20 0.00 0.00 60.37 57.94 1cfc h HIS 107 Cb 0.25 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 1cfc h HIS 107 CO 0.00 1.12 0.57 0.28 -1.30 0.00 0.00 177.93 178.60 1cfc h VAL 108 N 0.12 0.95 0.00 5.26 2.07 0.11 -1.24 116.25 123.51 1cfc h VAL 108 Ca -0.04 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 1cfc h VAL 108 Cb 1.21 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1cfc h VAL 108 CO 0.11 0.15 -0.73 0.24 0.02 0.00 0.00 177.57 177.37 1cfc h MET 109 N 0.84 0.00 -0.20 1.57 2.07 -1.23 -3.14 114.93 114.84 1cfc h MET 109 Ca 0.41 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.86 1cfc h MET 109 Cb 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 1cfc h MET 109 CO -0.18 0.73 -0.58 1.15 1.07 0.00 0.00 176.91 179.10 1cfc h THR 110 N 0.00 1.30 0.79 2.22 2.02 -0.39 0.98 112.91 119.83 1cfc h THR 110 Ca -0.01 -1.79 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1cfc h THR 110 Cb 1.37 1.87 0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1cfc h THR 110 CO 0.09 0.57 -0.38 0.78 0.37 0.00 0.00 175.52 176.96 1cfc h ASN 111 N 0.47 -0.89 -0.00 4.18 4.21 -1.52 -1.85 115.58 120.18 1cfc h ASN 111 Ca -0.02 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1cfc h ASN 111 Cb 1.20 0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.63 1cfc h ASN 111 CO 0.12 -0.62 0.02 -0.07 -1.29 0.00 0.00 177.43 175.59 1cfc h LEU 112 N -1.09 0.00 -5.24 1.61 3.38 -1.63 -3.41 115.31 108.94 1cfc h LEU 112 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1cfc h LEU 112 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1cfc h LEU 112 CO 0.18 0.00 0.34 0.61 0.09 0.00 0.00 178.44 179.65 1cfc n GLY 113 N -1.10 0.00 0.08 0.83 0.00 0.34 -4.43 105.19 100.91 1cfc n GLY 113 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1cfc n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cfc n GLU 114 N 2.31 0.63 -2.70 1.61 1.02 -1.26 -4.57 120.64 117.67 1cfc n GLU 114 Ca 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1cfc n GLU 114 Cb 0.17 -1.71 0.11 0.00 -0.02 0.00 0.00 31.44 29.99 1cfc n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cfc n LYS 115 N -2.55 1.18 -4.05 3.49 5.02 -1.26 -5.12 118.16 114.87 1cfc n LYS 115 Ca -0.03 -1.93 -0.15 0.00 -2.02 0.00 0.00 58.31 54.17 1cfc n LYS 115 Cb 0.60 -0.21 -0.15 0.00 -0.02 0.00 0.00 35.03 35.25 1cfc n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cfc s LEU 116 N -3.12 1.80 0.02 -0.35 1.43 -1.26 -5.15 118.68 112.05 1cfc s LEU 116 Ca 0.22 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1cfc s LEU 116 Cb 0.39 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.37 1cfc s LEU 116 CO -0.08 0.01 0.06 0.42 0.23 0.00 0.00 176.35 177.00 1cfc s THR 117 N 0.19 4.56 0.62 5.49 -4.23 -1.26 -4.97 115.64 116.04 1cfc s THR 117 Ca -0.02 -0.55 0.33 0.00 -1.18 0.00 0.00 61.69 60.28 1cfc s THR 117 Cb -0.05 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1cfc s THR 117 CO -0.00 0.29 2.19 0.44 -0.54 0.00 0.00 174.62 177.00 1cfc h ASP 118 N 3.92 0.00 0.01 3.99 5.19 -2.01 -2.19 116.42 125.34 1cfc h ASP 118 Ca -0.48 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1cfc h ASP 118 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1cfc h ASP 118 CO 0.62 0.00 -0.01 -0.33 -3.12 0.00 0.00 179.24 176.41 1cfc h GLU 119 N 0.00 -0.02 -1.00 3.56 5.08 -2.00 -3.03 114.58 117.16 1cfc h GLU 119 Ca 0.03 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1cfc h GLU 119 Cb 0.26 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1cfc h GLU 119 CO -0.00 0.70 0.62 0.93 -1.00 0.00 0.00 179.01 180.26 1cfc h GLU 120 N -0.78 0.78 -0.76 2.33 5.08 -1.81 0.19 114.58 119.60 1cfc h GLU 120 Ca -0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1cfc h GLU 120 Cb 0.73 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1cfc h GLU 120 CO 0.00 0.52 0.47 0.28 -1.00 0.00 0.00 179.01 179.28 1cfc h VAL 121 N 0.80 1.07 -0.61 3.13 2.07 -1.48 0.11 116.25 121.35 1cfc h VAL 121 Ca 0.56 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.84 1cfc h VAL 121 Cb 0.83 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1cfc h VAL 121 CO -0.35 0.16 0.40 0.44 0.02 0.00 0.00 177.57 178.24 1cfc h ASP 122 N 0.90 0.51 0.16 0.57 5.19 -0.51 0.12 116.42 123.37 1cfc h ASP 122 Ca 0.32 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.54 1cfc h ASP 122 Cb 0.07 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1cfc h ASP 122 CO -0.13 0.33 -0.72 -0.33 -3.12 0.00 0.00 179.24 175.27 1cfc h GLU 123 N 0.59 0.49 0.00 3.56 5.08 -0.71 -2.66 114.58 120.92 1cfc h GLU 123 Ca 0.26 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1cfc h GLU 123 Cb 0.29 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1cfc h GLU 123 CO -0.08 1.02 -0.30 0.52 -1.00 0.00 0.00 179.01 179.17 1cfc h MET 124 N 0.34 0.00 0.00 2.33 2.86 0.51 -2.35 114.93 118.62 1cfc h MET 124 Ca -0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 1cfc h MET 124 Cb 1.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 1cfc h MET 124 CO 0.13 0.30 -0.65 0.82 1.06 0.00 0.00 176.91 178.57 1cfc h ILE 125 N 0.00 1.26 0.17 -1.22 2.04 -0.63 -2.91 117.51 116.23 1cfc h ILE 125 Ca -0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1cfc h ILE 125 Cb 0.63 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1cfc h ILE 125 CO 0.04 0.63 -0.14 0.03 0.00 0.00 0.00 178.15 178.71 1cfc h ARG 126 N 0.00 -0.31 0.00 2.37 3.08 -1.08 -2.76 114.38 115.67 1cfc h ARG 126 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1cfc h ARG 126 Cb 1.31 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1cfc h ARG 126 CO 0.08 -0.21 0.00 0.93 -1.07 0.00 0.00 179.97 179.70 1cfc h GLU 127 N -0.33 0.00 -4.22 0.04 5.08 -1.64 -3.36 114.58 110.15 1cfc h GLU 127 Ca -0.01 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.60 1cfc h GLU 127 Cb 0.30 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.36 1cfc h GLU 127 CO -0.02 0.00 1.45 0.00 -1.00 0.00 0.00 179.01 179.44 1cfc n ALA 128 N -2.08 4.39 -1.09 3.43 0.00 -1.04 -4.91 120.51 119.21 1cfc n ALA 128 Ca 0.04 -4.33 -0.05 0.00 0.00 0.00 0.00 53.44 49.10 1cfc n ALA 128 Cb 0.51 -2.95 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 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 4.70 -1.81 0.00 0.00 5.68 -1.26 -4.57 116.55 119.29 1cfc n ASP 129 Ca 0.36 -1.16 0.12 0.00 -0.50 0.00 0.00 54.79 53.62 1cfc n ASP 129 Cb 0.40 -0.56 0.73 0.00 -1.14 0.00 0.00 41.12 40.55 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1cfc n ILE 130 N 4.59 0.00 -2.23 2.12 5.41 -1.26 -4.74 119.36 123.25 1cfc n ILE 130 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1cfc n ILE 130 Cb 0.40 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 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 -0.89 0.73 0.00 4.38 2.03 -1.26 -4.27 116.55 117.26 1cfc n ASP 131 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1cfc n ASP 131 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 5.00 1.39 0.00 0.27 0.00 -1.26 -4.31 105.19 106.29 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 1.34 0.00 0.00 0.00 173.32 174.66 1cfc n ASP 133 N 0.58 0.00 0.00 1.61 2.03 -1.26 -5.09 116.55 114.42 1cfc n ASP 133 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cfc n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1cfc n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 134 N 2.37 0.77 3.36 0.27 0.00 -1.26 -5.13 105.19 105.57 1cfc n GLY 134 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.35 0.01 1.61 -0.21 -1.26 -4.17 119.66 116.99 1cfc s GLN 135 Ca 0.00 -1.44 -0.03 0.00 0.02 0.00 0.00 55.36 53.91 1cfc s GLN 135 Cb 0.00 -1.49 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 1cfc s GLN 135 CO 0.00 0.31 0.03 0.08 -2.12 0.00 0.00 175.29 173.59 1cfc s VAL 136 N -1.93 0.10 0.82 1.09 1.01 -1.03 -4.96 120.40 115.50 1cfc s VAL 136 Ca 0.17 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1cfc s VAL 136 Cb -0.06 -0.32 0.12 0.00 0.00 0.00 0.00 36.38 36.12 1cfc s VAL 136 CO 0.08 -0.44 1.16 0.21 0.00 0.00 0.00 175.10 176.11 1cfc s ASN 137 N -1.38 4.15 -0.13 3.32 3.84 -1.26 -2.95 114.94 120.53 1cfc s ASN 137 Ca -0.15 0.44 0.14 0.00 0.21 0.00 0.00 52.86 53.51 1cfc s ASN 137 Cb -0.09 -0.83 -0.20 0.00 -0.55 0.00 0.00 41.25 39.58 1cfc s ASN 137 CO -0.00 -2.07 0.11 0.00 -2.79 0.00 0.00 177.10 172.35 1cfc n TYR 138 N -3.31 0.00 -0.33 0.43 4.11 -1.26 -4.51 117.16 112.29 1cfc n TYR 138 Ca 0.11 0.00 0.24 0.00 -0.00 0.00 0.00 57.90 58.24 1cfc n TYR 138 Cb 0.60 -0.70 0.44 0.00 -0.00 0.00 0.00 39.34 39.69 1cfc n TYR 138 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1cfc n GLU 139 N -2.49 -0.07 -0.06 -3.48 -0.00 -1.26 0.13 120.64 113.41 1cfc n GLU 139 Ca -0.22 1.41 -0.15 0.00 -0.00 0.00 0.00 57.16 58.21 1cfc n GLU 139 Cb 0.91 -2.39 -0.06 0.00 -0.00 0.00 0.00 31.44 29.90 1cfc n GLU 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1cfc h GLU 140 N 0.00 0.73 0.00 3.44 4.81 -2.01 -2.95 114.58 118.60 1cfc h GLU 140 Ca 0.72 -0.49 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1cfc h GLU 140 Cb 1.75 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.20 1cfc h GLU 140 CO -0.84 1.11 -0.01 0.74 -0.73 0.00 0.00 179.01 179.28 1cfc h PHE 141 N 0.46 0.00 0.13 0.92 0.04 0.88 -2.88 116.94 116.50 1cfc h PHE 141 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1cfc h PHE 141 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1cfc h PHE 141 CO 0.08 0.01 -0.06 0.28 -0.60 0.00 0.00 178.31 178.02 1cfc h VAL 142 N 0.00 0.98 -0.06 -0.55 2.07 0.10 -2.54 116.25 116.25 1cfc h VAL 142 Ca -0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1cfc h VAL 142 Cb 0.63 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1cfc h VAL 142 CO 0.00 0.25 -0.06 1.56 0.02 0.00 0.00 177.57 179.34 1cfc h GLN 143 N -0.80 0.09 -0.35 1.57 4.20 -1.56 -1.94 115.11 116.32 1cfc h GLN 143 Ca -0.02 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1cfc h GLN 143 Cb 0.54 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1cfc h GLN 143 CO 0.03 0.16 -0.30 0.52 -0.67 0.00 0.00 178.83 178.57 1cfc h MET 144 N 0.09 0.76 0.00 1.46 2.86 -1.50 -2.57 114.93 116.02 1cfc h MET 144 Ca 0.02 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1cfc h MET 144 Cb 0.17 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1cfc h MET 144 CO 0.01 0.96 -0.26 0.52 1.06 0.00 0.00 176.91 179.20 1cfc h MET 145 N 0.65 0.00 -0.68 1.72 2.86 -0.91 -1.66 114.93 116.90 1cfc h MET 145 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1cfc h MET 145 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1cfc h MET 145 CO 0.07 0.26 0.00 0.25 1.06 0.00 0.00 176.91 178.55 1cfc n THR 146 N -3.83 1.59 0.00 2.22 -2.24 -0.99 -4.74 114.28 106.30 1cfc n THR 146 Ca -0.02 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1cfc n THR 146 Cb 0.35 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.52 0.00 1.44 6.98 0.00 -0.63 -5.06 120.51 123.77 1cfc n ALA 147 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1cfc n ALA 147 Cb 0.78 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.92 1cfc n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13