#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 -4.73 0.00 2.03 -1.26 -5.13 116.55 107.46 1cfc n ASP 2 Ca 0.00 -0.77 -0.37 0.00 0.52 0.00 0.00 54.79 54.17 1cfc n ASP 2 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 1.25 -1.82 -0.67 6.02 -1.26 -4.85 117.38 116.06 1cfc n GLN 3 Ca 0.00 0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 1cfc n GLN 3 Cb 0.38 -2.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 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 -4.18 3.63 0.70 1.08 1.43 -1.26 -4.95 118.68 115.13 1cfc s LEU 4 Ca 0.80 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 1cfc s LEU 4 Cb -0.39 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1cfc s LEU 4 CO 0.42 -1.68 1.10 0.42 0.23 0.00 0.00 176.35 176.84 1cfc s THR 5 N 6.98 3.35 0.52 5.49 -4.23 -1.26 -4.79 115.64 121.71 1cfc s THR 5 Ca 0.88 0.54 0.26 0.00 -1.18 0.00 0.00 61.69 62.20 1cfc s THR 5 Cb -0.29 -3.06 0.42 0.00 1.34 0.00 0.00 72.50 70.91 1cfc s THR 5 CO 0.34 -0.48 1.95 1.05 -0.54 0.00 0.00 174.62 176.95 1cfc h GLU 6 N -0.45 0.04 0.43 3.99 4.11 -1.99 -1.26 114.58 119.44 1cfc h GLU 6 Ca -0.45 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 1cfc h GLU 6 Cb 1.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1cfc h GLU 6 CO 0.53 0.02 -0.21 0.93 0.07 0.00 0.00 179.01 180.36 1cfc h GLU 7 N 0.04 -0.55 -0.86 1.06 5.08 -1.98 0.10 114.58 117.46 1cfc h GLU 7 Ca 0.32 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.90 1cfc h GLU 7 Cb 1.23 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 1cfc h GLU 7 CO -0.02 -0.25 0.57 1.96 -1.00 0.00 0.00 179.01 180.27 1cfc h GLN 8 N -1.00 0.44 -0.13 2.33 4.20 -1.69 0.26 115.11 119.52 1cfc h GLN 8 Ca -0.06 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.43 1cfc h GLN 8 Cb 0.56 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1cfc h GLN 8 CO 0.10 0.29 -0.72 0.82 -0.67 0.00 0.00 178.83 178.65 1cfc h ILE 9 N 0.46 1.33 0.00 2.54 2.04 -1.13 -2.70 117.51 120.05 1cfc h ILE 9 Ca 0.44 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 1cfc h ILE 9 Cb 1.02 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1cfc h ILE 9 CO -0.17 0.62 -0.33 0.00 0.00 0.00 0.00 178.15 178.27 1cfc h ALA 10 N 0.78 0.99 -0.01 1.87 0.00 0.20 -1.23 119.26 121.86 1cfc h ALA 10 Ca -0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1cfc h ALA 10 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cfc h ALA 10 CO 0.14 0.41 -0.18 1.49 0.00 0.00 0.00 179.25 181.11 1cfc h GLU 11 N 0.00 0.13 -0.44 0.00 4.81 -0.63 -2.74 114.58 115.71 1cfc h GLU 11 Ca -0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1cfc h GLU 11 Cb 0.87 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1cfc h GLU 11 CO 0.04 0.87 0.05 0.74 -0.73 0.00 0.00 179.01 179.98 1cfc h PHE 12 N -0.55 0.72 -0.24 0.92 0.04 -1.46 -1.07 116.94 115.30 1cfc h PHE 12 Ca -0.02 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.70 1cfc h PHE 12 Cb 0.93 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 1cfc h PHE 12 CO 0.18 0.66 0.09 -0.22 -0.60 0.00 0.00 178.31 178.41 1cfc h LYS 13 N 0.66 0.19 0.26 1.51 3.64 -1.22 0.65 116.57 122.26 1cfc h LYS 13 Ca 0.14 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1cfc h LYS 13 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1cfc h LYS 13 CO 0.01 0.13 -0.13 0.93 -2.27 0.00 0.00 179.45 178.12 1cfc h GLU 14 N 0.20 -0.34 -0.73 1.90 4.39 -1.16 0.77 114.58 119.61 1cfc h GLU 14 Ca 0.11 0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.02 1cfc h GLU 14 Cb 0.07 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1cfc h GLU 14 CO -0.11 -0.09 0.51 0.00 -1.16 0.00 0.00 179.01 178.16 1cfc h ALA 15 N 0.13 2.46 0.02 3.43 0.00 -0.88 0.68 119.26 125.10 1cfc h ALA 15 Ca -0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1cfc h ALA 15 Cb 0.40 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1cfc h ALA 15 CO 0.06 -0.67 -0.75 0.35 0.00 0.00 0.00 179.25 178.23 1cfc h PHE 16 N 0.15 0.72 -0.03 0.00 3.57 0.94 -3.25 116.94 119.04 1cfc h PHE 16 Ca 0.36 -0.40 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1cfc h PHE 16 Cb 1.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1cfc h PHE 16 CO -0.00 1.24 -0.35 0.66 -2.23 0.00 0.00 178.31 177.63 1cfc h SER 17 N -0.00 0.06 -0.07 0.41 4.64 0.72 -2.63 113.55 116.68 1cfc h SER 17 Ca -0.10 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1cfc h SER 17 Cb 1.46 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1cfc h SER 17 CO 0.15 0.40 0.47 -0.07 -0.87 0.00 0.00 176.83 176.91 1cfc h LEU 18 N 0.05 0.00 -2.79 5.97 3.38 -0.97 0.15 115.31 121.10 1cfc h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cfc h LEU 18 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1cfc h LEU 18 CO 0.05 0.00 -0.10 0.49 0.09 0.00 0.00 178.44 178.97 1cfc n PHE 19 N -2.92 0.00 -2.99 1.13 3.01 -1.00 -4.86 117.46 109.83 1cfc n PHE 19 Ca -0.00 -0.78 -0.43 0.00 1.01 0.00 0.00 57.45 57.25 1cfc n PHE 19 Cb 0.53 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.89 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 -1.12 6.47 0.00 4.37 2.03 0.54 -4.71 116.55 124.13 1cfc n ASP 20 Ca 0.12 -3.43 0.15 0.00 0.52 0.00 0.00 54.79 52.15 1cfc n ASP 20 Cb 0.64 -1.27 0.88 0.00 -0.72 0.00 0.00 41.12 40.65 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 1.27 0.98 -0.17 -0.67 4.76 -1.26 -2.98 118.16 120.09 1cfc n LYS 21 Ca 0.27 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.82 1cfc n LYS 21 Cb 0.33 -1.47 0.21 0.00 -1.84 0.00 0.00 35.03 32.25 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 -0.97 3.40 -1.24 4.39 9.92 -1.26 -4.91 116.55 125.87 1cfc n ASP 22 Ca 0.22 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.79 52.40 1cfc n ASP 22 Cb 0.10 -0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 40.32 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 1.49 0.85 0.97 0.44 0.00 -1.16 -4.68 105.19 103.10 1cfc n GLY 23 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.01 3.02 -1.04 1.61 2.03 -1.26 -4.94 116.55 115.96 1cfc n ASP 24 Ca -0.09 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.13 1cfc n ASP 24 Cb 0.30 -0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.17 3.18 0.27 0.00 -1.26 -5.01 105.19 103.89 1cfc n GLY 25 Ca 0.15 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.46 0.06 0.17 2.61 -4.23 -1.26 -3.48 115.64 107.04 1cfc s THR 26 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1cfc s THR 26 Cb 0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1cfc s THR 26 CO 0.00 -0.23 0.10 0.27 -0.54 0.00 0.00 174.62 174.22 1cfc s ILE 27 N -4.10 0.05 0.56 2.99 -4.36 -0.29 -4.46 121.20 111.60 1cfc s ILE 27 Ca 0.32 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1cfc s ILE 27 Cb 0.07 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1cfc s ILE 27 CO 0.07 -0.23 0.83 0.42 0.24 0.00 0.00 174.94 176.27 1cfc s THR 28 N -4.10 3.41 0.31 8.37 -4.23 -1.26 -0.74 115.64 117.39 1cfc s THR 28 Ca 0.31 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1cfc s THR 28 Cb 0.07 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1cfc s THR 28 CO 0.07 -0.29 1.69 0.71 -0.54 0.00 0.00 174.62 176.26 1cfc h THR 29 N -0.02 1.37 0.00 3.99 1.35 -1.87 -2.74 112.91 114.99 1cfc h THR 29 Ca -0.45 -1.78 -0.02 0.00 -0.55 0.00 0.00 66.41 63.61 1cfc h THR 29 Cb 1.27 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1cfc h THR 29 CO 0.58 0.51 -0.08 0.11 -0.25 0.00 0.00 175.52 176.40 1cfc h LYS 30 N 0.03 0.00 -0.71 4.72 1.57 -1.93 -1.50 116.57 118.74 1cfc h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cfc h LYS 30 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1cfc h LYS 30 CO 0.07 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1cfc n GLU 31 N -3.55 3.10 0.01 3.15 1.02 -1.03 -4.44 120.64 118.90 1cfc n GLU 31 Ca -0.02 -2.75 -0.13 0.00 -0.02 0.00 0.00 57.16 54.25 1cfc n GLU 31 Cb 0.20 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 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 4.26 -0.04 -1.80 -4.62 5.85 -1.27 -2.27 115.31 115.41 1cfc h LEU 32 Ca 0.00 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 1cfc h LEU 32 Cb 1.17 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1cfc h LEU 32 CO 0.09 0.42 -0.15 1.23 -0.34 0.00 0.00 178.44 179.68 1cfc h GLY 33 N -0.50 0.00 1.00 3.75 0.00 -1.78 -1.64 103.07 103.90 1cfc h GLY 33 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1cfc h GLY 33 CO 0.01 0.00 -0.31 -0.84 0.00 0.00 0.00 176.54 175.40 1cfc h THR 34 N 0.00 1.30 -0.06 4.70 2.02 -1.77 0.64 112.91 119.73 1cfc h THR 34 Ca -0.00 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1cfc h THR 34 Cb 0.34 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1cfc h THR 34 CO 0.02 0.48 -0.03 0.58 0.37 0.00 0.00 175.52 176.94 1cfc h VAL 35 N 0.50 1.32 -0.81 3.16 2.07 -0.97 -1.38 116.25 120.14 1cfc h VAL 35 Ca 0.05 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1cfc h VAL 35 Cb 0.89 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 1cfc h VAL 35 CO 0.08 0.28 0.53 0.24 0.02 0.00 0.00 177.57 178.72 1cfc h MET 36 N -0.26 0.83 -0.05 1.57 2.86 -1.30 -0.16 114.93 118.42 1cfc h MET 36 Ca 0.01 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1cfc h MET 36 Cb 0.46 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1cfc h MET 36 CO 0.01 0.55 -0.47 0.00 1.06 0.00 0.00 176.91 178.06 1cfc h ARG 37 N 0.86 0.13 0.00 1.72 3.08 -0.61 -2.01 114.38 117.54 1cfc h ARG 37 Ca 0.36 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1cfc h ARG 37 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1cfc h ARG 37 CO -0.13 0.57 -0.06 0.66 -1.07 0.00 0.00 179.97 179.94 1cfc h SER 38 N 0.11 0.00 -0.03 7.04 4.64 0.12 0.15 113.55 125.58 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1cfc h SER 38 CO 0.07 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 1cfc n LEU 39 N -4.16 1.05 0.00 5.97 4.77 -0.89 -4.89 117.00 118.85 1cfc n LEU 39 Ca -0.03 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1cfc n LEU 39 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1cfc n LEU 39 CO 0.32 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1cfc n GLY 40 N 1.11 0.73 3.90 -0.72 0.00 0.51 -5.07 105.19 105.65 1cfc n GLY 40 Ca 0.20 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.77 3.44 -0.47 1.61 -1.52 -0.81 -4.99 119.66 116.15 1cfc s GLN 41 Ca 0.00 -0.26 0.06 0.00 -1.95 0.00 0.00 55.36 53.21 1cfc s GLN 41 Cb 0.00 -3.13 0.21 0.00 -0.22 0.00 0.00 33.01 29.88 1cfc s GLN 41 CO 0.00 0.71 0.49 -1.71 -0.25 0.00 0.00 175.29 174.53 1cfc n ASN 42 N 1.29 0.81 -4.78 5.90 2.85 -1.26 -3.53 115.26 116.53 1cfc n ASN 42 Ca -0.14 -2.76 -0.35 0.00 -0.11 0.00 0.00 54.58 51.23 1cfc n ASN 42 Cb 0.53 -0.63 -0.01 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.99 3.48 1.16 1.20 0.04 -1.26 -5.02 135.00 133.61 1cfc s PRO 43 Ca 0.34 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 1cfc s PRO 43 Cb 0.10 -2.06 0.27 0.00 0.04 0.00 0.00 34.50 32.84 1cfc s PRO 43 CO -0.13 -0.73 1.11 0.95 0.04 0.00 0.00 177.00 178.23 1cfc s THR 44 N -1.79 1.69 0.14 1.26 -4.23 -1.26 -4.80 115.64 106.64 1cfc s THR 44 Ca 0.71 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 1cfc s THR 44 Cb -0.23 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1cfc s THR 44 CO 0.26 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.58 1cfc h GLU 45 N -2.43 0.80 -0.61 3.99 4.39 -1.99 -2.39 114.58 116.34 1cfc h GLU 45 Ca -0.47 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 58.90 1cfc h GLU 45 Cb 1.30 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1cfc h GLU 45 CO 0.39 0.88 0.17 0.00 -1.16 0.00 0.00 179.01 179.30 1cfc h ALA 46 N 0.89 1.14 -0.86 3.43 0.00 -1.98 0.18 119.26 122.07 1cfc h ALA 46 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1cfc h ALA 46 Cb 0.55 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1cfc h ALA 46 CO 0.03 0.59 0.50 0.93 0.00 0.00 0.00 179.25 181.30 1cfc h GLU 47 N 0.91 1.17 -0.12 0.00 5.08 -1.86 0.12 114.58 119.88 1cfc h GLU 47 Ca 0.20 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1cfc h GLU 47 Cb 0.30 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1cfc h GLU 47 CO -0.00 0.83 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.52 1cfc h LEU 48 N 1.18 0.43 -1.66 1.33 3.38 -0.80 -3.04 115.31 116.14 1cfc h LEU 48 Ca 0.31 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1cfc h LEU 48 Cb -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1cfc h LEU 48 CO -0.06 0.90 -0.15 1.56 0.09 0.00 0.00 178.44 180.79 1cfc h GLN 49 N -0.03 0.00 -0.19 1.13 1.08 -0.30 -2.06 115.11 114.73 1cfc h GLN 49 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1cfc h GLN 49 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1cfc h GLN 49 CO 0.05 0.15 -0.43 0.22 -0.95 0.00 0.00 178.83 177.87 1cfc h ASP 50 N 0.00 0.71 0.24 1.46 1.82 -0.70 -2.70 116.42 117.25 1cfc h ASP 50 Ca -0.00 -0.56 -0.14 0.00 -0.39 0.00 0.00 57.03 55.94 1cfc h ASP 50 Cb 0.47 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1cfc h ASP 50 CO 0.02 1.14 -0.54 0.24 -1.61 0.00 0.00 179.24 178.49 1cfc h MET 51 N 0.31 0.32 -0.77 0.28 2.86 -1.39 -2.79 114.93 113.75 1cfc h MET 51 Ca 0.00 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1cfc h MET 51 Cb 1.04 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1cfc h MET 51 CO 0.09 0.78 0.51 0.82 1.06 0.00 0.00 176.91 180.18 1cfc h ILE 52 N 0.25 1.17 0.40 -1.22 2.04 -1.30 0.43 117.51 119.28 1cfc h ILE 52 Ca 0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1cfc h ILE 52 Cb 1.03 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1cfc h ILE 52 CO 0.09 0.18 -0.33 -0.55 0.00 0.00 0.00 178.15 177.54 1cfc h ASN 53 N 1.00 -0.86 0.72 1.72 7.08 -1.19 0.94 115.58 124.98 1cfc h ASN 53 Ca 0.29 0.07 -0.16 0.00 -3.08 0.00 0.00 56.30 53.42 1cfc h ASN 53 Cb -0.05 0.28 -0.02 0.00 -2.08 0.00 0.00 38.32 36.45 1cfc h ASN 53 CO -0.07 -0.48 -0.73 -0.33 -2.08 0.00 0.00 177.43 173.73 1cfc h GLU 54 N -0.73 0.01 0.00 4.14 4.39 -1.50 -3.20 114.58 117.68 1cfc h GLU 54 Ca -0.03 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 1cfc h GLU 54 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1cfc h GLU 54 CO -0.02 0.74 -0.92 0.28 -1.16 0.00 0.00 179.01 177.93 1cfc h VAL 55 N 0.01 1.60 0.00 3.13 2.07 0.08 -3.22 116.25 119.92 1cfc h VAL 55 Ca -0.01 -3.23 0.00 0.00 0.82 0.00 0.00 66.70 64.29 1cfc h VAL 55 Cb 1.30 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1cfc h VAL 55 CO 0.10 0.90 0.00 -0.67 0.02 0.00 0.00 177.57 177.92 1cfc n ASP 56 N -3.35 4.73 0.19 0.57 2.03 0.32 -3.92 116.55 117.12 1cfc n ASP 56 Ca 0.00 -2.29 0.12 0.00 0.52 0.00 0.00 54.79 53.14 1cfc n ASP 56 Cb 0.90 -0.97 0.22 0.00 -0.72 0.00 0.00 41.12 40.55 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 1.27 0.99 0.00 -1.67 0.00 -1.72 -3.07 119.26 115.05 1cfc h ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cfc h ALA 57 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1cfc h ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 179.25 179.47 1cfc h ASP 58 N 0.00 0.00 0.00 0.00 1.82 -1.90 -3.46 116.42 112.88 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 0.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1cfc h ASP 58 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1cfc n GLY 59 N 1.12 0.50 1.00 -0.78 0.00 -1.16 -4.84 105.19 101.03 1cfc n GLY 59 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 3.10 -3.26 1.61 4.13 -1.26 -4.96 115.26 114.46 1cfc n ASN 60 Ca 0.00 -2.00 -0.23 0.00 1.68 0.00 0.00 54.58 54.03 1cfc n ASN 60 Cb 0.08 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.29 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 1.39 -0.51 3.26 7.41 0.00 -1.26 -4.96 105.19 110.51 1cfc n GLY 61 Ca 0.15 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.11 0.07 -0.01 2.61 -4.23 -1.26 -3.25 115.64 106.46 1cfc s THR 62 Ca 0.39 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1cfc s THR 62 Cb -0.19 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1cfc s THR 62 CO 0.48 0.00 0.01 -0.63 -0.54 0.00 0.00 174.62 173.94 1cfc s ILE 63 N -3.80 -0.02 0.35 2.99 1.01 0.08 -4.83 121.20 116.98 1cfc s ILE 63 Ca 0.39 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1cfc s ILE 63 Cb 0.05 -0.03 -0.01 0.00 0.01 0.00 0.00 42.46 42.48 1cfc s ILE 63 CO 0.19 0.02 0.44 1.51 0.00 0.00 0.00 174.94 177.10 1cfc s ASP 64 N 0.30 5.76 0.17 3.58 1.47 -1.26 -1.13 116.67 125.55 1cfc s ASP 64 Ca -0.02 -0.30 -0.13 0.00 1.18 0.00 0.00 52.55 53.28 1cfc s ASP 64 Cb -0.04 -1.08 0.07 0.00 -0.34 0.00 0.00 42.92 41.54 1cfc s ASP 64 CO -0.01 -0.46 1.76 0.15 0.68 0.00 0.00 175.17 177.29 1cfc h PHE 65 N 0.94 0.83 -0.13 2.11 3.57 -1.96 -1.28 116.94 121.02 1cfc h PHE 65 Ca -0.45 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.06 1cfc h PHE 65 Cb 1.26 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1cfc h PHE 65 CO 0.45 0.64 -0.16 -1.35 -2.23 0.00 0.00 178.31 175.65 1cfc h PRO 66 N 0.79 -0.19 -0.21 6.41 0.11 -1.96 0.10 132.00 137.05 1cfc h PRO 66 Ca 0.20 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1cfc h PRO 66 Cb 0.11 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1cfc h PRO 66 CO -0.03 -0.13 -0.09 0.93 -0.21 0.00 0.00 178.00 178.48 1cfc h GLU 67 N -0.20 0.32 -0.51 1.05 5.08 -1.95 -1.44 114.58 116.93 1cfc h GLU 67 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1cfc h GLU 67 Cb 0.34 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1cfc h GLU 67 CO -0.25 0.43 0.23 0.35 -1.00 0.00 0.00 179.01 178.76 1cfc h PHE 68 N 0.31 0.72 0.00 4.33 3.57 0.13 -0.23 116.94 125.77 1cfc h PHE 68 Ca 0.06 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1cfc h PHE 68 Cb 0.36 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1cfc h PHE 68 CO 0.01 0.54 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.26 1cfc h LEU 69 N 0.72 0.00 -0.84 0.59 3.38 0.05 -2.20 115.31 117.02 1cfc h LEU 69 Ca 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1cfc h LEU 69 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1cfc h LEU 69 CO -0.02 0.30 -0.48 0.74 0.09 0.00 0.00 178.44 179.07 1cfc h THR 70 N 0.00 1.11 0.01 0.22 2.02 -0.78 -1.94 112.91 113.56 1cfc h THR 70 Ca -0.00 -1.79 -0.20 0.00 0.77 0.00 0.00 66.41 65.18 1cfc h THR 70 Cb 0.63 2.03 0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1cfc h THR 70 CO 0.04 0.47 -0.81 0.24 0.37 0.00 0.00 175.52 175.83 1cfc h MET 71 N 0.00 0.52 -0.29 6.66 2.86 -0.98 -2.86 114.93 120.84 1cfc h MET 71 Ca -0.00 -0.58 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 1cfc h MET 71 Cb 1.00 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 1cfc h MET 71 CO 0.06 1.21 -0.15 0.52 1.06 0.00 0.00 176.91 179.61 1cfc h MET 72 N 0.08 0.50 -0.31 1.72 2.07 -1.40 -2.53 114.93 115.06 1cfc h MET 72 Ca -0.10 -0.16 -0.10 0.00 -2.07 0.00 0.00 59.70 57.27 1cfc h MET 72 Cb 1.50 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 31.17 1cfc h MET 72 CO 0.16 0.65 -0.24 0.00 1.07 0.00 0.00 176.91 178.55 1cfc h ALA 73 N 1.38 1.01 0.00 6.32 0.00 -1.37 -0.96 119.26 125.64 1cfc h ALA 73 Ca 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1cfc h ALA 73 Cb 0.54 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cfc h ALA 73 CO 0.03 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1cfc h ARG 74 N 0.53 0.00 0.00 0.00 2.47 -1.22 -3.21 114.38 112.95 1cfc h ARG 74 Ca 0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1cfc h ARG 74 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1cfc h ARG 74 CO 0.05 0.11 -0.00 0.87 0.56 0.00 0.00 179.97 181.56 1cfc h LYS 75 N 0.00 -0.00 -4.88 0.04 1.79 -1.02 -3.42 116.57 109.08 1cfc h LYS 75 Ca -0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 1cfc h LYS 75 Cb 0.53 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.25 1cfc h LYS 75 CO 0.01 0.02 0.93 -1.33 -1.08 0.00 0.00 179.45 178.01 1cfc n MET 76 N -4.78 0.00 0.00 3.15 2.81 -0.44 -3.05 117.12 114.82 1cfc n MET 76 Ca -0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 1cfc n MET 76 Cb 0.01 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 1cfc n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1cfc n LYS 77 N 5.75 0.00 0.00 0.03 5.02 -1.26 -4.89 118.16 122.81 1cfc n LYS 77 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1cfc n LYS 77 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 1cfc n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cfc n ASP 78 N 0.00 0.00 -2.39 4.39 2.03 -1.17 -1.42 116.55 117.99 1cfc n ASP 78 Ca 0.00 0.28 -0.20 0.00 0.52 0.00 0.00 54.79 55.40 1cfc n ASP 78 Cb 0.00 -0.28 0.02 0.00 -0.72 0.00 0.00 41.12 40.14 1cfc n ASP 78 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1cfc n THR 79 N -1.25 2.08 -0.74 5.18 5.66 -1.24 -5.07 114.28 118.89 1cfc n THR 79 Ca 0.00 -4.13 -0.34 0.00 -3.05 0.00 0.00 64.05 56.53 1cfc n THR 79 Cb 0.08 -0.59 0.14 0.00 -1.55 0.00 0.00 70.33 68.41 1cfc n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cfc n ASP 80 N -0.53 -2.52 0.16 1.09 2.03 -0.51 -4.83 116.55 111.45 1cfc n ASP 80 Ca 0.32 -0.10 0.12 0.00 0.52 0.00 0.00 54.79 55.65 1cfc n ASP 80 Cb 0.82 -0.85 0.10 0.00 -0.72 0.00 0.00 41.12 40.47 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1cfc h SER 81 N -1.84 0.00 -0.70 1.67 0.87 -1.98 -3.22 113.55 108.35 1cfc h SER 81 Ca -0.51 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1cfc h SER 81 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1cfc h SER 81 CO 0.35 0.00 0.46 -0.33 -0.53 0.00 0.00 176.83 176.78 1cfc h GLU 82 N 0.00 0.92 0.00 2.24 5.08 -1.96 -0.05 114.58 120.80 1cfc h GLU 82 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1cfc h GLU 82 Cb 0.99 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1cfc h GLU 82 CO 0.00 0.61 0.00 0.93 -1.00 0.00 0.00 179.01 179.55 1cfc h GLU 83 N 0.94 0.00 0.03 2.33 4.39 -1.90 -1.79 114.58 118.58 1cfc h GLU 83 Ca 0.26 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 1cfc h GLU 83 Cb -0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1cfc h GLU 83 CO -0.06 0.00 -0.44 0.93 -1.16 0.00 0.00 179.01 178.28 1cfc h GLU 84 N 0.00 0.06 -0.45 2.33 4.39 -1.18 -2.95 114.58 116.78 1cfc h GLU 84 Ca 0.00 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1cfc h GLU 84 Cb 0.40 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1cfc h GLU 84 CO 0.00 1.05 -0.10 0.82 -1.16 0.00 0.00 179.01 179.62 1cfc h ILE 85 N -0.86 1.26 0.36 3.13 2.04 -1.38 -2.70 117.51 119.36 1cfc h ILE 85 Ca -0.10 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 1cfc h ILE 85 Cb 1.20 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1cfc h ILE 85 CO -0.01 0.41 -0.17 0.03 0.00 0.00 0.00 178.15 178.40 1cfc h ARG 86 N 0.74 -0.47 -0.14 2.37 3.08 -1.46 -0.35 114.38 118.16 1cfc h ARG 86 Ca 0.12 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1cfc h ARG 86 Cb 0.60 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1cfc h ARG 86 CO 0.04 -0.17 0.35 0.93 -1.07 0.00 0.00 179.97 180.04 1cfc h GLU 87 N -0.75 0.00 0.02 0.04 5.08 -1.50 0.55 114.58 118.03 1cfc h GLU 87 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1cfc h GLU 87 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1cfc h GLU 87 CO 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.98 1cfc h ALA 88 N 1.44 -0.01 -0.05 3.43 0.00 -1.07 -2.24 119.26 120.76 1cfc h ALA 88 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cfc h ALA 88 Cb 0.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cfc h ALA 88 CO -0.00 0.05 0.07 0.74 0.00 0.00 0.00 179.25 180.11 1cfc h PHE 89 N -0.91 0.00 -0.13 0.00 0.04 0.11 0.12 116.94 116.17 1cfc h PHE 89 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1cfc h PHE 89 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1cfc h PHE 89 CO 0.27 0.00 -0.24 -0.09 -0.60 0.00 0.00 178.31 177.64 1cfc h ARG 90 N 0.00 0.40 0.00 1.51 2.43 0.04 -1.89 114.38 116.87 1cfc h ARG 90 Ca 0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1cfc h ARG 90 Cb 0.17 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1cfc h ARG 90 CO -0.00 0.85 0.34 0.28 -1.51 0.00 0.00 179.97 179.93 1cfc h VAL 91 N -0.00 0.00 -0.00 0.20 2.07 -0.15 0.33 116.25 118.69 1cfc h VAL 91 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1cfc h VAL 91 Cb 0.83 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1cfc h VAL 91 CO 0.05 0.00 -0.87 0.49 0.02 0.00 0.00 177.57 177.27 1cfc n PHE 92 N -2.81 0.00 -2.33 1.57 3.01 -0.76 -4.58 117.46 111.56 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 0.38 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.15 5.14 0.33 4.37 -0.08 0.12 -4.74 116.55 120.53 1cfc n ASP 93 Ca 0.05 -3.12 0.19 0.00 -1.51 0.00 0.00 54.79 50.41 1cfc n ASP 93 Cb 0.36 -1.47 1.01 0.00 2.34 0.00 0.00 41.12 43.36 1cfc n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1cfc h LYS 94 N 5.71 0.00 -0.55 -0.67 1.79 -1.81 0.21 116.57 121.25 1cfc h LYS 94 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1cfc h LYS 94 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1cfc h LYS 94 CO 1.63 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 176.53 1cfc n ASP 95 N -2.94 3.64 -2.87 0.86 2.03 -1.26 -4.93 116.55 111.09 1cfc n ASP 95 Ca -0.02 -1.99 -0.13 0.00 0.52 0.00 0.00 54.79 53.16 1cfc n ASP 95 Cb 0.20 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 1cfc n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfc n GLY 96 N 1.58 -0.49 0.14 0.27 0.00 0.75 -4.78 105.19 102.66 1cfc n GLY 96 Ca 0.22 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.85 1.96 0.00 1.61 2.85 -1.26 -5.03 115.26 113.53 1cfc n ASN 97 Ca -0.03 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1cfc n ASN 97 Cb 0.54 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 40.77 1cfc n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cfc n GLY 98 N 1.37 0.44 3.23 8.20 0.00 -1.26 -5.13 105.19 112.04 1cfc n GLY 98 Ca -0.53 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.11 1.71 0.13 1.61 2.02 -1.26 -4.38 117.35 116.06 1cfc s TYR 99 Ca 0.00 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1cfc s TYR 99 Cb 0.00 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1cfc s TYR 99 CO 0.00 0.09 0.06 0.96 -1.57 0.00 0.00 175.55 175.09 1cfc s ILE 100 N -0.83 0.11 0.27 2.71 -4.36 -1.15 -4.91 121.20 113.03 1cfc s ILE 100 Ca 0.06 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 1cfc s ILE 100 Cb -0.09 -2.01 -0.09 0.00 1.25 0.00 0.00 42.46 41.52 1cfc s ILE 100 CO 0.02 -0.48 1.07 -0.94 0.24 0.00 0.00 174.94 174.84 1cfc s SER 101 N -3.04 7.35 0.48 4.36 1.04 -1.26 -2.29 113.70 120.34 1cfc s SER 101 Ca 0.23 2.20 0.38 0.00 0.48 0.00 0.00 55.95 59.23 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 0.01 -0.08 1.59 0.00 0.98 0.00 0.00 173.24 175.74 1cfc h ALA 102 N 3.95 3.14 0.43 5.32 0.00 -1.90 0.47 119.26 130.66 1cfc h ALA 102 Ca -0.46 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1cfc h ALA 102 Cb 1.21 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1cfc h ALA 102 CO 0.67 -1.79 -0.20 0.00 0.00 0.00 0.00 179.25 177.93 1cfc h ALA 103 N 1.42 -0.57 -0.43 0.00 0.00 -1.94 0.20 119.26 117.94 1cfc h ALA 103 Ca 0.89 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.74 1cfc h ALA 103 Cb 3.08 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 21.07 1cfc h ALA 103 CO -0.31 -0.75 0.30 0.93 0.00 0.00 0.00 179.25 179.42 1cfc h GLU 104 N -0.71 0.09 0.07 0.00 5.08 -0.47 0.25 114.58 118.90 1cfc h GLU 104 Ca -0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1cfc h GLU 104 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1cfc h GLU 104 CO 0.10 0.06 -0.03 1.25 -1.00 0.00 0.00 179.01 179.38 1cfc h LEU 105 N 0.09 -0.08 -1.50 1.33 5.85 -0.39 0.22 115.31 120.83 1cfc h LEU 105 Ca 0.20 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1cfc h LEU 105 Cb 0.68 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1cfc h LEU 105 CO -0.02 0.43 0.27 -0.09 -0.34 0.00 0.00 178.44 178.69 1cfc h ARG 106 N -0.62 0.60 -0.41 1.25 2.43 0.25 -1.24 114.38 116.64 1cfc h ARG 106 Ca -0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1cfc h ARG 106 Cb 0.52 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1cfc h ARG 106 CO 0.02 0.42 -0.09 1.25 -1.51 0.00 0.00 179.97 180.06 1cfc h HIS 107 N 0.61 0.88 -1.01 2.20 2.76 -0.35 -2.20 115.15 118.05 1cfc h HIS 107 Ca 0.16 -0.19 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1cfc h HIS 107 Cb -0.02 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 28.65 1cfc h HIS 107 CO 0.00 0.90 0.65 0.28 -1.30 0.00 0.00 177.93 178.46 1cfc h VAL 108 N 0.61 1.05 0.00 5.26 2.07 0.62 0.25 116.25 126.11 1cfc h VAL 108 Ca 0.11 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1cfc h VAL 108 Cb 0.61 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1cfc h VAL 108 CO 0.04 0.21 -0.50 0.24 0.02 0.00 0.00 177.57 177.57 1cfc h MET 109 N 1.14 0.00 0.13 1.57 2.86 -1.08 -2.70 114.93 116.85 1cfc h MET 109 Ca 0.45 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.81 1cfc h MET 109 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1cfc h MET 109 CO -0.20 0.50 -1.40 1.15 1.06 0.00 0.00 176.91 178.03 1cfc h THR 110 N 0.00 1.07 0.00 2.22 2.02 -0.57 -3.32 112.91 114.33 1cfc h THR 110 Ca -0.01 -2.44 -0.02 0.00 0.77 0.00 0.00 66.41 64.71 1cfc h THR 110 Cb 0.92 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1cfc h THR 110 CO 0.07 0.73 -0.11 -1.13 0.37 0.00 0.00 175.52 175.44 1cfc h ASN 111 N -0.24 0.00 -0.01 4.18 -0.73 -0.62 -1.51 115.58 116.65 1cfc h ASN 111 Ca -0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1cfc h ASN 111 Cb 1.81 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.40 1cfc h ASN 111 CO 0.09 0.11 0.01 -0.07 -0.37 0.00 0.00 177.43 177.20 1cfc h LEU 112 N 0.00 0.00 0.00 0.34 3.38 -1.59 -3.45 115.31 113.99 1cfc h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cfc h LEU 112 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 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 1.19 3.77 0.83 0.00 -0.57 -5.07 105.19 103.95 1cfc n GLY 113 Ca -0.03 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.35 4.67 -0.05 1.61 2.02 -1.25 -4.91 118.70 119.44 1cfc s GLU 114 Ca 0.00 1.39 -0.00 0.00 0.02 0.00 0.00 54.97 56.38 1cfc s GLU 114 Cb 0.00 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.31 1cfc s GLU 114 CO 0.00 0.35 1.98 1.63 0.02 0.00 0.00 175.26 179.24 1cfc n LYS 115 N 0.87 1.14 -2.72 1.61 5.02 -1.26 -4.87 118.16 117.94 1cfc n LYS 115 Ca 0.01 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.62 1cfc n LYS 115 Cb 0.49 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.31 4.50 0.29 -0.35 1.43 -1.26 -5.03 118.68 117.94 1cfc s LEU 116 Ca 0.05 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 1cfc s LEU 116 Cb 0.04 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1cfc s LEU 116 CO -0.00 -0.07 0.71 0.42 0.23 0.00 0.00 176.35 177.64 1cfc s THR 117 N -0.01 4.69 0.64 5.49 -4.23 -1.26 -4.93 115.64 116.03 1cfc s THR 117 Ca 0.47 0.96 0.35 0.00 -1.18 0.00 0.00 61.69 62.30 1cfc s THR 117 Cb -0.24 -3.66 0.35 0.00 1.34 0.00 0.00 72.50 70.30 1cfc s THR 117 CO 0.30 -0.10 2.08 0.44 -0.54 0.00 0.00 174.62 176.80 1cfc h ASP 118 N 2.51 0.00 0.01 3.99 3.32 -2.00 -1.84 116.42 122.40 1cfc h ASP 118 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cfc h ASP 118 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1cfc h ASP 118 CO 0.66 0.00 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.84 1cfc h GLU 119 N 0.00 -0.01 -0.63 3.56 5.08 -2.00 -2.97 114.58 117.61 1cfc h GLU 119 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1cfc h GLU 119 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1cfc h GLU 119 CO 0.00 0.80 0.44 0.93 -1.00 0.00 0.00 179.01 180.18 1cfc h GLU 120 N -0.87 0.14 -0.39 2.33 5.08 -1.72 0.81 114.58 119.96 1cfc h GLU 120 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1cfc h GLU 120 Cb 0.82 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1cfc h GLU 120 CO 0.00 0.09 -0.37 0.28 -1.00 0.00 0.00 179.01 178.02 1cfc h VAL 121 N 0.14 1.27 -0.08 3.13 2.07 -1.52 -2.21 116.25 119.06 1cfc h VAL 121 Ca 0.30 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1cfc h VAL 121 Cb 0.99 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1cfc h VAL 121 CO -0.04 0.52 0.02 0.44 0.02 0.00 0.00 177.57 178.53 1cfc h ASP 122 N 0.75 0.09 -0.02 0.57 3.32 -0.67 0.16 116.42 120.62 1cfc h ASP 122 Ca 0.07 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.87 1cfc h ASP 122 Cb 0.96 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.50 1cfc h ASP 122 CO 0.09 0.10 -0.91 -0.08 -1.72 0.00 0.00 179.24 176.72 1cfc h GLU 123 N 0.11 0.66 -0.02 3.56 4.81 -1.17 -2.31 114.58 120.23 1cfc h GLU 123 Ca 0.03 -0.68 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 1cfc h GLU 123 Cb 0.04 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1cfc h GLU 123 CO -0.00 1.27 -0.28 0.52 -0.73 0.00 0.00 179.01 179.80 1cfc h MET 124 N 0.32 0.03 0.00 1.92 2.86 -0.68 -1.88 114.93 117.50 1cfc h MET 124 Ca -0.11 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1cfc h MET 124 Cb 1.57 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.22 1cfc h MET 124 CO 0.18 0.30 -0.53 0.82 1.06 0.00 0.00 176.91 178.74 1cfc h ILE 125 N 0.03 1.06 0.09 -1.22 2.04 -0.63 -2.53 117.51 116.34 1cfc h ILE 125 Ca 0.00 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 1cfc h ILE 125 Cb 0.50 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1cfc h ILE 125 CO 0.04 0.52 -0.04 0.03 0.00 0.00 0.00 178.15 178.69 1cfc h ARG 126 N 0.00 -0.11 0.00 2.37 3.08 -0.75 -3.09 114.38 115.87 1cfc h ARG 126 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cfc h ARG 126 Cb 1.20 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1cfc h ARG 126 CO 0.07 0.19 0.00 0.93 -1.07 0.00 0.00 179.97 180.09 1cfc h GLU 127 N -0.42 0.00 -4.65 0.04 4.39 -1.61 -3.36 114.58 108.96 1cfc h GLU 127 Ca -0.01 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.95 1cfc h GLU 127 Cb 0.35 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.82 1cfc h GLU 127 CO 0.02 0.00 1.24 0.00 -1.16 0.00 0.00 179.01 179.11 1cfc s ALA 128 N -3.19 4.04 -0.09 3.43 0.00 -0.95 -4.90 121.76 120.10 1cfc s ALA 128 Ca 0.08 -3.38 -0.01 0.00 0.00 0.00 0.00 51.96 48.66 1cfc s ALA 128 Cb 0.08 -4.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 1cfc s ALA 128 CO 0.63 -2.73 1.06 -0.40 0.00 0.00 0.00 175.76 174.33 1cfc n ASP 129 N 5.41 -1.87 -0.12 0.00 5.68 -1.26 -4.56 116.55 119.83 1cfc n ASP 129 Ca 0.35 -1.27 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 1cfc n ASP 129 Cb 0.43 -0.57 0.61 0.00 -1.14 0.00 0.00 41.12 40.44 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 4.40 0.03 -2.22 2.12 5.41 -1.26 -4.77 119.36 123.08 1cfc n ILE 130 Ca 0.06 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1cfc n ILE 130 Cb 0.45 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 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 -0.58 0.74 0.00 4.38 2.03 -1.26 -4.20 116.55 117.65 1cfc n ASP 131 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1cfc n ASP 131 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 1.20 0.00 0.27 0.00 -1.26 -4.28 105.19 106.12 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 0.32 0.00 0.00 1.61 2.03 -1.26 -5.08 116.55 114.16 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 2.07 0.88 3.30 0.27 0.00 -1.26 -5.13 105.19 105.33 1cfc n GLY 134 Ca 0.00 0.00 -0.25 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 1.17 0.02 1.61 -0.21 -1.26 -4.22 119.66 116.77 1cfc s GLN 135 Ca 0.00 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.21 1cfc s GLN 135 Cb 0.00 -1.45 -0.02 0.00 1.00 0.00 0.00 33.01 32.54 1cfc s GLN 135 CO 0.00 0.34 -0.04 0.08 -2.12 0.00 0.00 175.29 173.55 1cfc s VAL 136 N -1.13 0.24 0.85 1.09 1.01 -0.97 -4.94 120.40 116.55 1cfc s VAL 136 Ca 0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1cfc s VAL 136 Cb -0.10 -0.35 0.13 0.00 0.00 0.00 0.00 36.38 36.06 1cfc s VAL 136 CO 0.04 -0.43 1.20 0.21 0.00 0.00 0.00 175.10 176.13 1cfc s ASN 137 N -1.39 3.93 -0.15 3.32 3.84 -1.26 -2.95 114.94 120.29 1cfc s ASN 137 Ca -0.13 0.42 0.15 0.00 0.21 0.00 0.00 52.86 53.51 1cfc s ASN 137 Cb -0.09 -0.73 -0.21 0.00 -0.55 0.00 0.00 41.25 39.67 1cfc s ASN 137 CO -0.01 -2.22 0.09 0.00 -2.79 0.00 0.00 177.10 172.18 1cfc n TYR 138 N -3.42 0.00 -0.32 0.43 4.11 -1.26 -4.50 117.16 112.19 1cfc n TYR 138 Ca 0.12 0.00 0.26 0.00 -0.00 0.00 0.00 57.90 58.28 1cfc n TYR 138 Cb 0.60 -0.76 0.49 0.00 -0.00 0.00 0.00 39.34 39.68 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 -2.55 -0.06 -0.06 -3.48 -0.00 -1.26 0.15 120.64 113.38 1cfc n GLU 139 Ca -0.24 1.39 -0.15 0.00 -0.00 0.00 0.00 57.16 58.16 1cfc n GLU 139 Cb 0.97 -2.41 -0.06 0.00 -0.00 0.00 0.00 31.44 29.94 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 0.70 0.00 3.44 4.57 -2.01 -3.01 114.58 118.26 1cfc h GLU 140 Ca 0.76 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1cfc h GLU 140 Cb 1.92 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1cfc h GLU 140 CO -0.81 1.09 -0.11 0.74 -1.18 0.00 0.00 179.01 178.74 1cfc h PHE 141 N 0.40 0.00 -0.01 0.92 0.04 0.11 -2.96 116.94 115.45 1cfc h PHE 141 Ca -0.00 0.00 -0.00 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 0.09 0.11 -0.01 0.28 -0.60 0.00 0.00 178.31 178.18 1cfc h VAL 142 N 0.00 1.38 0.00 -0.55 2.07 0.10 -2.68 116.25 116.57 1cfc h VAL 142 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1cfc h VAL 142 Cb 0.73 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1cfc h VAL 142 CO 0.01 0.30 -0.15 1.56 0.02 0.00 0.00 177.57 179.32 1cfc h GLN 143 N -0.46 0.00 -0.16 1.57 4.20 -1.52 -2.39 115.11 116.35 1cfc h GLN 143 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1cfc h GLN 143 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1cfc h GLN 143 CO 0.00 0.15 -0.63 0.52 -0.67 0.00 0.00 178.83 178.20 1cfc h MET 144 N 0.00 0.57 0.00 1.46 2.86 -1.41 -2.90 114.93 115.51 1cfc h MET 144 Ca -0.00 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1cfc h MET 144 Cb 0.31 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1cfc h MET 144 CO 0.02 1.02 -0.09 0.52 1.06 0.00 0.00 176.91 179.44 1cfc h MET 145 N 0.42 0.00 -0.06 1.72 2.86 -1.09 -2.33 114.93 116.44 1cfc h MET 145 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1cfc h MET 145 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1cfc h MET 145 CO 0.12 0.09 0.00 0.25 1.06 0.00 0.00 176.91 178.43 1cfc n THR 146 N -3.23 0.09 -3.24 2.22 -2.24 -1.09 -4.62 114.28 102.17 1cfc n THR 146 Ca 0.00 -0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1cfc n THR 146 Cb 0.36 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1cfc n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cfc s ALA 147 N -1.91 -3.08 -2.00 6.98 0.00 -0.88 -5.10 121.76 115.78 1cfc s ALA 147 Ca 0.09 1.70 0.19 0.00 0.00 0.00 0.00 51.96 53.94 1cfc s ALA 147 Cb 0.04 -2.31 1.15 0.00 0.00 0.00 0.00 23.12 22.01 1cfc s ALA 147 CO 0.07 -1.25 1.54 1.63 0.00 0.00 0.00 175.76 177.75