#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 -0.09 -4.73 0.00 9.92 -1.26 -5.12 116.55 115.27 1cfc n ASP 2 Ca 0.00 -1.44 -0.38 0.00 -0.53 0.00 0.00 54.79 52.44 1cfc n ASP 2 Cb 0.00 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 40.52 1cfc n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cfc n GLN 3 N 0.03 1.32 -2.27 -1.24 6.02 -1.26 -4.91 117.38 115.08 1cfc n GLN 3 Ca -0.04 0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 1cfc n GLN 3 Cb 0.62 -2.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.30 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 -4.04 4.34 0.57 1.08 1.43 -1.26 -4.99 118.68 115.80 1cfc s LEU 4 Ca 0.79 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.83 1cfc s LEU 4 Cb -0.39 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 1cfc s LEU 4 CO 0.43 -0.65 1.08 0.42 0.23 0.00 0.00 176.35 177.86 1cfc s THR 5 N 1.84 3.56 0.53 5.49 -4.23 -1.26 -4.83 115.64 116.73 1cfc s THR 5 Ca 0.62 0.84 0.26 0.00 -1.18 0.00 0.00 61.69 62.23 1cfc s THR 5 Cb -0.32 -3.33 0.40 0.00 1.34 0.00 0.00 72.50 70.60 1cfc s THR 5 CO 0.27 -0.33 1.99 -0.33 -0.54 0.00 0.00 174.62 175.68 1cfc h GLU 6 N 0.81 0.01 -0.05 3.99 4.39 -1.99 -0.96 114.58 120.78 1cfc h GLU 6 Ca -0.48 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1cfc h GLU 6 Cb 1.23 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1cfc h GLU 6 CO 0.57 0.01 -0.07 0.93 -1.16 0.00 0.00 179.01 179.29 1cfc h GLU 7 N 0.01 0.13 -0.67 2.33 4.39 -1.99 -1.21 114.58 117.56 1cfc h GLU 7 Ca 0.27 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1cfc h GLU 7 Cb 1.06 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 1cfc h GLU 7 CO -0.01 0.63 0.45 1.96 -1.16 0.00 0.00 179.01 180.88 1cfc h GLN 8 N -0.36 0.83 -0.16 2.33 4.20 -1.58 0.41 115.11 120.79 1cfc h GLN 8 Ca 0.00 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1cfc h GLN 8 Cb 0.61 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1cfc h GLN 8 CO 0.02 0.55 -0.47 0.82 -0.67 0.00 0.00 178.83 179.08 1cfc h ILE 9 N 0.86 1.32 -0.22 2.54 2.04 -1.18 -2.84 117.51 120.04 1cfc h ILE 9 Ca 0.26 -1.67 -0.15 0.00 1.00 0.00 0.00 64.86 64.30 1cfc h ILE 9 Cb -0.01 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1cfc h ILE 9 CO -0.07 0.51 -0.45 0.00 0.00 0.00 0.00 178.15 178.15 1cfc h ALA 10 N 1.18 0.34 0.19 1.87 0.00 0.12 -1.73 119.26 121.23 1cfc h ALA 10 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cfc h ALA 10 Cb 0.95 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1cfc h ALA 10 CO 0.08 0.48 -0.27 1.05 0.00 0.00 0.00 179.25 180.59 1cfc h GLU 11 N 0.39 -0.50 -0.80 0.00 4.11 -0.91 -0.26 114.58 116.60 1cfc h GLU 11 Ca 0.01 0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.57 1cfc h GLU 11 Cb 1.05 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1cfc h GLU 11 CO 0.10 -0.33 0.52 0.74 0.07 0.00 0.00 179.01 180.11 1cfc h PHE 12 N -0.52 0.78 0.17 2.06 0.04 -1.52 -0.77 116.94 117.18 1cfc h PHE 12 Ca 0.01 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1cfc h PHE 12 Cb 0.51 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1cfc h PHE 12 CO -0.21 0.36 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.56 1cfc h LYS 13 N 0.72 -0.22 -0.45 1.51 3.64 -0.15 0.51 116.57 122.13 1cfc h LYS 13 Ca 0.37 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1cfc h LYS 13 Cb 0.48 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1cfc h LYS 13 CO -0.15 -0.12 0.29 0.93 -2.27 0.00 0.00 179.45 178.13 1cfc h GLU 14 N -0.27 0.56 0.00 1.90 5.08 -0.38 0.21 114.58 121.68 1cfc h GLU 14 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1cfc h GLU 14 Cb 0.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1cfc h GLU 14 CO 0.04 0.37 -0.09 0.00 -1.00 0.00 0.00 179.01 178.33 1cfc h ALA 15 N 1.18 1.37 0.00 3.43 0.00 -0.84 -0.34 119.26 124.06 1cfc h ALA 15 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cfc h ALA 15 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1cfc h ALA 15 CO -0.05 0.12 -0.01 0.35 0.00 0.00 0.00 179.25 179.65 1cfc h PHE 16 N 0.00 0.00 0.00 0.00 3.57 0.19 -3.29 116.94 117.41 1cfc h PHE 16 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1cfc h PHE 16 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1cfc h PHE 16 CO 0.00 0.71 -0.03 0.77 -2.23 0.00 0.00 178.31 177.53 1cfc h SER 17 N -1.00 0.00 0.00 0.41 0.02 -0.51 -1.76 113.55 110.71 1cfc h SER 17 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cfc h SER 17 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1cfc h SER 17 CO -0.00 0.03 0.10 -0.07 -1.14 0.00 0.00 176.83 175.75 1cfc h LEU 18 N 0.00 0.00 -2.74 5.07 3.38 -1.12 -1.14 115.31 118.76 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 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1cfc h LEU 18 CO 0.00 0.00 -0.15 0.49 0.09 0.00 0.00 178.44 178.87 1cfc n PHE 19 N -2.84 0.00 -2.99 1.13 3.01 -0.66 -4.86 117.46 110.25 1cfc n PHE 19 Ca -0.02 -0.75 -0.43 0.00 1.01 0.00 0.00 57.45 57.26 1cfc n PHE 19 Cb 0.16 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.04 6.48 0.00 4.37 2.03 -0.43 -4.73 116.55 123.22 1cfc n ASP 20 Ca 0.12 -3.43 0.11 0.00 0.52 0.00 0.00 54.79 52.11 1cfc n ASP 20 Cb 0.66 -1.27 0.64 0.00 -0.72 0.00 0.00 41.12 40.43 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 1.25 0.56 -0.14 -0.67 4.76 -1.26 -2.49 118.16 120.17 1cfc n LYS 21 Ca 0.27 0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.86 1cfc n LYS 21 Cb 0.33 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.11 3.32 -1.69 4.39 8.00 -1.26 -4.92 116.55 123.28 1cfc n ASP 22 Ca 0.15 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.56 1cfc n ASP 22 Cb 0.12 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1cfc n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cfc n GLY 23 N 1.47 0.45 0.88 0.44 0.00 -1.04 -4.72 105.19 102.67 1cfc n GLY 23 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.69 2.84 -0.75 1.61 2.03 -1.26 -4.94 116.55 115.37 1cfc n ASP 24 Ca -0.11 -1.92 -0.08 0.00 0.52 0.00 0.00 54.79 53.21 1cfc n ASP 24 Cb 0.42 0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.48 3.21 0.27 0.00 -1.26 -5.01 105.19 104.24 1cfc n GLY 25 Ca 0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.34 0.19 0.19 2.61 -4.23 -1.26 -3.57 115.64 107.24 1cfc s THR 26 Ca 0.00 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1cfc s THR 26 Cb 0.00 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1cfc s THR 26 CO 0.00 -0.18 0.13 0.27 -0.54 0.00 0.00 174.62 174.29 1cfc s ILE 27 N -4.01 0.01 0.45 2.99 -4.36 -0.30 -4.44 121.20 111.54 1cfc s ILE 27 Ca 0.33 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1cfc s ILE 27 Cb 0.07 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.34 1cfc s ILE 27 CO 0.08 -0.05 0.66 0.42 0.24 0.00 0.00 174.94 176.29 1cfc s THR 28 N -4.14 3.88 0.34 8.37 -4.23 -1.26 -0.95 115.64 117.64 1cfc s THR 28 Ca 0.37 -0.57 0.14 0.00 -1.18 0.00 0.00 61.69 60.44 1cfc s THR 28 Cb 0.07 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.57 1cfc s THR 28 CO 0.11 -0.28 1.79 0.71 -0.54 0.00 0.00 174.62 176.40 1cfc h THR 29 N 0.43 1.23 0.00 3.99 1.35 -1.87 -2.52 112.91 115.53 1cfc h THR 29 Ca -0.46 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1cfc h THR 29 Cb 1.26 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1cfc h THR 29 CO 0.56 0.40 -0.04 0.11 -0.25 0.00 0.00 175.52 176.30 1cfc h LYS 30 N 0.00 0.00 -0.70 4.72 1.79 -1.94 -1.13 116.57 119.31 1cfc h LYS 30 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cfc h LYS 30 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1cfc h LYS 30 CO 0.05 0.04 0.00 0.39 -1.08 0.00 0.00 179.45 178.86 1cfc n GLU 31 N -4.05 3.25 -0.02 3.15 1.02 -0.95 -4.44 120.64 118.60 1cfc n GLU 31 Ca -0.03 -2.78 -0.13 0.00 -0.02 0.00 0.00 57.16 54.20 1cfc n GLU 31 Cb 0.13 -1.74 -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 4.25 0.01 -1.76 -4.62 5.85 -1.19 -2.01 115.31 115.84 1cfc h LEU 32 Ca 0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1cfc h LEU 32 Cb 1.23 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1cfc h LEU 32 CO 0.12 0.53 -0.15 1.23 -0.34 0.00 0.00 178.44 179.83 1cfc h GLY 33 N -0.50 0.00 1.00 3.75 0.00 -1.78 -1.51 103.07 104.02 1cfc h GLY 33 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1cfc h GLY 33 CO 0.00 0.00 -0.47 -0.84 0.00 0.00 0.00 176.54 175.23 1cfc h THR 34 N 0.00 1.32 0.04 4.70 2.02 -1.78 -1.57 112.91 117.63 1cfc h THR 34 Ca -0.00 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1cfc h THR 34 Cb 0.27 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1cfc h THR 34 CO 0.02 0.53 -0.02 0.58 0.37 0.00 0.00 175.52 177.00 1cfc h VAL 35 N 0.38 1.14 -0.74 3.16 2.07 -0.90 -1.38 116.25 119.99 1cfc h VAL 35 Ca -0.00 -0.58 0.12 0.00 0.82 0.00 0.00 66.70 67.06 1cfc h VAL 35 Cb 1.08 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1cfc h VAL 35 CO 0.10 0.15 0.49 0.24 0.02 0.00 0.00 177.57 178.57 1cfc h MET 36 N -0.30 0.50 -0.17 1.57 2.86 -1.32 0.65 114.93 118.71 1cfc h MET 36 Ca -0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1cfc h MET 36 Cb 0.28 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1cfc h MET 36 CO 0.01 0.33 -0.45 0.00 1.06 0.00 0.00 176.91 177.86 1cfc h ARG 37 N 0.51 0.42 -0.30 1.72 3.08 -0.77 -2.48 114.38 116.56 1cfc h ARG 37 Ca 0.35 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1cfc h ARG 37 Cb 0.67 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1cfc h ARG 37 CO -0.12 0.79 0.20 0.66 -1.07 0.00 0.00 179.97 180.43 1cfc h SER 38 N 0.34 0.20 0.10 7.04 4.64 0.24 0.28 113.55 126.40 1cfc h SER 38 Ca 0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1cfc h SER 38 Cb 0.92 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1cfc h SER 38 CO 0.08 0.14 -0.00 0.18 -0.87 0.00 0.00 176.83 176.35 1cfc n LEU 39 N -4.49 0.07 0.00 5.97 4.77 -1.03 -4.86 117.00 117.43 1cfc n LEU 39 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1cfc n LEU 39 Cb 0.20 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1cfc n LEU 39 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1cfc n GLY 40 N 1.06 0.74 3.93 -0.72 0.00 1.00 -5.08 105.19 106.12 1cfc n GLY 40 Ca 0.22 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.79 3.42 -0.41 1.61 -1.52 -0.96 -5.01 119.66 115.99 1cfc s GLN 41 Ca 0.00 -0.54 0.06 0.00 -1.95 0.00 0.00 55.36 52.94 1cfc s GLN 41 Cb 0.00 -2.99 0.22 0.00 -0.22 0.00 0.00 33.01 30.02 1cfc s GLN 41 CO 0.00 0.56 0.46 -1.71 -0.25 0.00 0.00 175.29 174.35 1cfc n ASN 42 N -0.18 0.08 -4.78 5.90 2.85 -1.26 -3.85 115.26 114.01 1cfc n ASN 42 Ca -0.06 -2.61 -0.36 0.00 -0.11 0.00 0.00 54.58 51.44 1cfc n ASN 42 Cb 0.53 -0.61 -0.04 0.00 1.24 0.00 0.00 39.78 40.89 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 -0.78 4.21 1.18 1.20 0.04 -1.26 -5.04 135.00 134.54 1cfc s PRO 43 Ca 0.34 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.69 1cfc s PRO 43 Cb 0.12 -2.56 0.28 0.00 0.04 0.00 0.00 34.50 32.38 1cfc s PRO 43 CO -0.14 -0.10 1.11 0.95 0.04 0.00 0.00 177.00 178.86 1cfc s THR 44 N -1.66 1.64 0.14 1.26 -4.23 -1.26 -4.81 115.64 106.71 1cfc s THR 44 Ca 0.57 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 1cfc s THR 44 Cb -0.21 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1cfc s THR 44 CO 0.27 0.00 1.54 -0.33 -0.54 0.00 0.00 174.62 175.56 1cfc h GLU 45 N -2.51 0.84 -0.49 3.99 4.39 -1.99 -2.52 114.58 116.28 1cfc h GLU 45 Ca -0.46 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 58.84 1cfc h GLU 45 Cb 1.30 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1cfc h GLU 45 CO 0.36 0.96 -0.01 0.00 -1.16 0.00 0.00 179.01 179.16 1cfc h ALA 46 N 0.85 1.07 -0.80 3.43 0.00 -1.98 0.62 119.26 122.45 1cfc h ALA 46 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1cfc h ALA 46 Cb 0.66 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1cfc h ALA 46 CO 0.05 0.58 0.53 0.93 0.00 0.00 0.00 179.25 181.34 1cfc h GLU 47 N 0.76 1.05 0.03 0.00 5.08 -1.86 -1.23 114.58 118.41 1cfc h GLU 47 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1cfc h GLU 47 Cb 0.47 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cfc h GLU 47 CO 0.02 0.69 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.64 1cfc h LEU 48 N 1.08 -0.03 -2.19 1.33 3.38 -0.91 -3.01 115.31 114.96 1cfc h LEU 48 Ca 0.29 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1cfc h LEU 48 Cb -0.13 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1cfc h LEU 48 CO -0.06 0.58 0.23 1.56 0.09 0.00 0.00 178.44 180.84 1cfc h GLN 49 N -0.66 0.00 -0.01 1.13 1.08 -0.59 0.84 115.11 116.91 1cfc h GLN 49 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1cfc h GLN 49 Cb 0.61 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1cfc h GLN 49 CO 0.01 0.00 -0.29 -0.44 -0.95 0.00 0.00 178.83 177.15 1cfc h ASP 50 N 0.00 0.27 0.12 1.46 3.32 -1.19 -2.44 116.42 117.96 1cfc h ASP 50 Ca 0.10 -0.76 -0.09 0.00 0.02 0.00 0.00 57.03 56.30 1cfc h ASP 50 Cb 0.56 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1cfc h ASP 50 CO -0.00 0.99 -0.32 0.24 -1.72 0.00 0.00 179.24 178.43 1cfc h MET 51 N -0.43 0.30 -0.58 3.56 2.86 -1.21 -2.72 114.93 116.71 1cfc h MET 51 Ca -0.03 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1cfc h MET 51 Cb 1.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 1cfc h MET 51 CO 0.06 0.59 0.21 0.82 1.06 0.00 0.00 176.91 179.65 1cfc h ILE 52 N 0.26 1.23 -0.68 -1.22 2.04 -0.88 0.10 117.51 118.37 1cfc h ILE 52 Ca 0.03 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1cfc h ILE 52 Cb 0.70 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1cfc h ILE 52 CO 0.05 0.29 0.45 -1.13 0.00 0.00 0.00 178.15 177.81 1cfc h ASN 53 N 0.81 0.54 0.00 1.72 -1.24 -1.11 1.18 115.58 117.47 1cfc h ASN 53 Ca 0.19 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1cfc h ASN 53 Cb 0.24 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1cfc h ASN 53 CO -0.01 0.34 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.05 1cfc h GLU 54 N 0.61 0.00 0.00 6.67 4.39 -1.40 -3.31 114.58 121.54 1cfc h GLU 54 Ca 0.31 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1cfc h GLU 54 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1cfc h GLU 54 CO -0.10 0.98 -0.20 0.28 -1.16 0.00 0.00 179.01 178.82 1cfc h VAL 55 N -1.00 0.86 0.00 3.13 2.07 -0.68 -2.50 116.25 118.12 1cfc h VAL 55 Ca -0.02 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1cfc h VAL 55 Cb 1.00 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1cfc h VAL 55 CO -0.01 0.19 0.00 -0.67 0.02 0.00 0.00 177.57 177.10 1cfc n ASP 56 N -3.89 4.62 0.20 0.57 2.03 0.40 -3.91 116.55 116.57 1cfc n ASP 56 Ca -0.02 -2.28 0.12 0.00 0.52 0.00 0.00 54.79 53.14 1cfc n ASP 56 Cb 0.29 -0.94 0.21 0.00 -0.72 0.00 0.00 41.12 39.96 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 1.31 0.99 0.00 -1.67 0.00 -1.62 -3.04 119.26 115.23 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 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 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 -1.65 0.00 3.58 -1.87 -3.47 116.42 113.01 1cfc h ASP 58 Ca 0.00 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1cfc h ASP 58 Cb 0.95 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1cfc h ASP 58 CO 0.00 0.00 -0.30 0.61 -2.88 0.00 0.00 179.24 176.67 1cfc n GLY 59 N 1.14 -0.10 0.25 -0.78 0.00 -1.15 -4.90 105.19 99.64 1cfc n GLY 59 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1cfc n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cfc n ASN 60 N -0.22 2.52 -2.54 1.61 5.15 -1.26 -4.97 115.26 115.55 1cfc n ASN 60 Ca -0.14 -2.50 -0.05 0.00 -0.60 0.00 0.00 54.58 51.29 1cfc n ASN 60 Cb 0.60 -0.25 -0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1cfc n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cfc n GLY 61 N -0.65 -0.50 3.19 8.20 0.00 -1.26 -4.87 105.19 109.30 1cfc n GLY 61 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.25 0.03 -0.01 2.61 -4.23 -1.26 -3.09 115.64 107.45 1cfc s THR 62 Ca 0.03 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1cfc s THR 62 Cb -0.01 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1cfc s THR 62 CO 0.03 -0.11 0.01 -0.63 -0.54 0.00 0.00 174.62 173.38 1cfc s ILE 63 N -4.13 -0.01 0.34 2.99 1.01 -0.13 -4.85 121.20 116.43 1cfc s ILE 63 Ca 0.36 0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.11 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 0.10 0.02 0.38 1.51 0.00 0.00 0.00 174.94 176.94 1cfc s ASP 64 N 0.18 5.58 0.16 3.58 1.47 -1.26 -1.15 116.67 125.23 1cfc s ASP 64 Ca -0.02 -0.38 -0.14 0.00 1.18 0.00 0.00 52.55 53.20 1cfc s ASP 64 Cb -0.02 -1.05 0.05 0.00 -0.34 0.00 0.00 42.92 41.56 1cfc s ASP 64 CO -0.01 -0.42 1.75 0.15 0.68 0.00 0.00 175.17 177.32 1cfc h PHE 65 N 1.06 0.74 -0.21 2.11 3.57 -1.97 -0.49 116.94 121.76 1cfc h PHE 65 Ca -0.45 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.07 1cfc h PHE 65 Cb 1.26 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1cfc h PHE 65 CO 0.48 0.58 -0.10 -1.35 -2.23 0.00 0.00 178.31 175.69 1cfc h PRO 66 N 0.69 -0.07 -0.18 6.41 0.11 -1.96 -0.11 132.00 136.88 1cfc h PRO 66 Ca 0.18 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 1cfc h PRO 66 Cb 0.11 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1cfc h PRO 66 CO -0.02 -0.05 -0.19 0.93 -0.21 0.00 0.00 178.00 178.46 1cfc h GLU 67 N -0.07 0.31 -0.49 1.05 5.08 -1.94 -1.81 114.58 116.70 1cfc h GLU 67 Ca 0.11 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1cfc h GLU 67 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1cfc h GLU 67 CO -0.26 0.49 0.23 0.35 -1.00 0.00 0.00 179.01 178.82 1cfc h PHE 68 N 0.28 0.67 0.00 4.33 3.57 0.55 0.23 116.94 126.57 1cfc h PHE 68 Ca 0.05 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1cfc h PHE 68 Cb 0.50 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1cfc h PHE 68 CO 0.01 0.50 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.22 1cfc h LEU 69 N 0.69 0.00 -0.29 0.59 3.38 -0.22 -2.51 115.31 116.94 1cfc h LEU 69 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1cfc h LEU 69 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cfc h LEU 69 CO -0.02 0.30 -0.83 0.74 0.09 0.00 0.00 178.44 178.72 1cfc h THR 70 N 0.00 1.40 -0.08 0.22 2.02 -0.68 -1.12 112.91 114.67 1cfc h THR 70 Ca -0.00 -2.31 -0.18 0.00 0.77 0.00 0.00 66.41 64.69 1cfc h THR 70 Cb 0.75 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1cfc h THR 70 CO 0.04 0.69 -0.71 0.00 0.37 0.00 0.00 175.52 175.91 1cfc h MET 71 N 0.25 0.40 -0.14 6.66 -0.00 -1.19 -2.62 114.93 118.29 1cfc h MET 71 Ca -0.05 -0.32 -0.21 0.00 -0.00 0.00 0.00 59.70 59.12 1cfc h MET 71 Cb 1.44 0.06 0.01 0.00 -0.00 0.00 0.00 31.60 33.11 1cfc h MET 71 CO 0.14 0.95 -0.76 0.52 -0.00 0.00 0.00 176.91 177.76 1cfc h MET 72 N 0.28 0.70 0.00 -0.10 2.07 -1.42 -3.00 114.93 113.45 1cfc h MET 72 Ca -0.03 -0.57 -0.05 0.00 -2.07 0.00 0.00 59.70 56.99 1cfc h MET 72 Cb 1.28 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.11 1cfc h MET 72 CO 0.12 1.18 -0.25 0.00 1.07 0.00 0.00 176.91 179.03 1cfc h ALA 73 N 0.66 1.45 -0.46 6.32 0.00 -1.18 0.86 119.26 126.91 1cfc h ALA 73 Ca -0.05 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1cfc h ALA 73 Cb 1.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1cfc h ALA 73 CO 0.15 0.31 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 1cfc h ARG 74 N 0.00 0.97 -0.00 0.00 2.47 -1.34 -3.22 114.38 113.26 1cfc h ARG 74 Ca -0.00 -0.43 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 1cfc h ARG 74 Cb 0.48 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1cfc h ARG 74 CO 0.03 1.10 -0.07 0.87 0.56 0.00 0.00 179.97 182.46 1cfc h LYS 75 N 0.82 0.05 0.00 0.04 1.79 -1.30 -3.29 116.57 114.69 1cfc h LYS 75 Ca 0.10 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1cfc h LYS 75 Cb 0.81 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1cfc h LYS 75 CO 0.07 0.80 0.69 -1.33 -1.08 0.00 0.00 179.45 178.60 1cfc n MET 76 N -4.67 0.02 0.28 3.15 2.81 0.25 0.14 117.12 119.10 1cfc n MET 76 Ca -0.09 0.52 0.15 0.00 -1.81 0.00 0.00 57.70 56.47 1cfc n MET 76 Cb 0.41 -1.99 0.83 0.00 -0.71 0.00 0.00 33.22 31.75 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 0.00 0.00 -0.16 0.03 2.10 -1.71 -3.15 116.57 113.67 1cfc h LYS 77 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1cfc h LYS 77 Cb 1.39 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.65 1cfc h LYS 77 CO 0.00 0.07 -0.29 0.22 -2.00 0.00 0.00 179.45 177.46 1cfc h ASP 78 N 0.00 -0.89 0.00 7.07 1.82 0.93 -0.69 116.42 124.66 1cfc h ASP 78 Ca -0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1cfc h ASP 78 Cb 0.23 0.39 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1cfc h ASP 78 CO 0.01 -0.33 0.00 1.07 -1.61 0.00 0.00 179.24 178.38 1cfc n THR 79 N -5.39 1.43 -0.80 2.25 5.66 -1.19 -4.90 114.28 111.33 1cfc n THR 79 Ca -0.02 -0.33 -0.34 0.00 -3.05 0.00 0.00 64.05 60.31 1cfc n THR 79 Cb 0.31 -1.32 0.11 0.00 -1.55 0.00 0.00 70.33 67.88 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 1.50 -2.67 0.19 1.09 2.03 -0.27 -4.82 116.55 113.60 1cfc n ASP 80 Ca 0.00 -0.09 0.12 0.00 0.52 0.00 0.00 54.79 55.34 1cfc n ASP 80 Cb 0.38 -0.73 0.15 0.00 -0.72 0.00 0.00 41.12 40.20 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 -1.65 0.00 -0.13 1.67 0.87 -1.90 -3.19 113.55 109.21 1cfc h SER 81 Ca -0.44 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1cfc h SER 81 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1cfc h SER 81 CO 0.29 0.00 0.09 1.05 -0.53 0.00 0.00 176.83 177.73 1cfc h GLU 82 N 0.00 0.08 0.00 2.24 4.11 -1.94 -0.11 114.58 118.95 1cfc h GLU 82 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1cfc h GLU 82 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1cfc h GLU 82 CO 0.00 0.05 0.00 0.93 0.07 0.00 0.00 179.01 180.06 1cfc h GLU 83 N 0.08 0.00 0.04 1.06 5.08 -1.88 -2.22 114.58 116.74 1cfc h GLU 83 Ca 0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 1cfc h GLU 83 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1cfc h GLU 83 CO -0.01 0.00 -1.43 0.93 -1.00 0.00 0.00 179.01 177.50 1cfc h GLU 84 N 0.00 0.08 0.03 2.33 5.08 -1.21 -3.00 114.58 117.91 1cfc h GLU 84 Ca 0.00 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1cfc h GLU 84 Cb 0.72 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1cfc h GLU 84 CO 0.00 0.87 -0.50 0.82 -1.00 0.00 0.00 179.01 179.20 1cfc h ILE 85 N 0.02 1.51 -0.52 3.13 2.04 -1.36 -2.66 117.51 119.67 1cfc h ILE 85 Ca -0.19 -2.17 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 1cfc h ILE 85 Cb 1.94 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 40.86 1cfc h ILE 85 CO 0.12 0.61 0.22 -0.09 0.00 0.00 0.00 178.15 179.01 1cfc h ARG 86 N -0.36 0.76 0.00 2.37 2.43 -1.55 0.19 114.38 118.22 1cfc h ARG 86 Ca -0.07 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1cfc h ARG 86 Cb 1.28 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1cfc h ARG 86 CO 0.10 0.66 -0.11 0.93 -1.51 0.00 0.00 179.97 180.04 1cfc h GLU 87 N 0.69 0.00 0.18 0.20 5.08 -1.61 0.84 114.58 119.96 1cfc h GLU 87 Ca 0.17 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.23 1cfc h GLU 87 Cb 0.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.45 1cfc h GLU 87 CO -0.02 0.11 -1.28 0.00 -1.00 0.00 0.00 179.01 176.82 1cfc h ALA 88 N 1.89 -0.09 0.00 3.43 0.00 -0.87 -2.86 119.26 120.77 1cfc h ALA 88 Ca -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1cfc h ALA 88 Cb 0.32 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cfc h ALA 88 CO 0.01 0.63 -0.12 0.74 0.00 0.00 0.00 179.25 180.52 1cfc h PHE 89 N 0.12 0.00 -0.35 0.00 0.04 0.28 -1.07 116.94 115.96 1cfc h PHE 89 Ca -0.21 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.50 1cfc h PHE 89 Cb 1.98 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.12 1cfc h PHE 89 CO 0.13 0.12 -0.02 0.00 -0.60 0.00 0.00 178.31 177.94 1cfc h ARG 90 N 0.00 0.63 -0.12 1.51 3.08 -0.72 0.11 114.38 118.87 1cfc h ARG 90 Ca -0.00 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1cfc h ARG 90 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1cfc h ARG 90 CO 0.02 0.76 0.31 0.28 -1.07 0.00 0.00 179.97 180.26 1cfc h VAL 91 N 0.43 0.15 -0.01 2.04 2.07 -0.98 0.37 116.25 120.33 1cfc h VAL 91 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1cfc h VAL 91 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1cfc h VAL 91 CO 0.02 0.00 -0.53 0.49 0.02 0.00 0.00 177.57 177.57 1cfc n PHE 92 N -3.23 0.00 -2.26 1.57 3.01 -0.13 -4.58 117.46 111.84 1cfc n PHE 92 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1cfc n PHE 92 Cb 0.40 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 -0.17 6.68 0.32 4.37 -0.08 0.13 -4.72 116.55 123.08 1cfc n ASP 93 Ca 0.09 -3.19 0.22 0.00 -1.51 0.00 0.00 54.79 50.39 1cfc n ASP 93 Cb 0.46 -1.39 1.12 0.00 2.34 0.00 0.00 41.12 43.65 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 5.10 0.00 -0.38 -0.67 1.57 -1.81 -0.20 116.57 120.18 1cfc h LYS 94 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1cfc h LYS 94 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1cfc h LYS 94 CO 1.51 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.92 1cfc n ASP 95 N -3.03 3.39 -1.65 0.86 -0.08 -1.26 -4.92 116.55 109.86 1cfc n ASP 95 Ca -0.02 -1.98 -0.05 0.00 -1.51 0.00 0.00 54.79 51.22 1cfc n ASP 95 Cb 0.10 -0.24 -0.02 0.00 2.34 0.00 0.00 41.12 43.30 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 1.50 0.14 0.28 0.27 0.00 -0.09 -4.70 105.19 102.58 1cfc n GLY 96 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.37 1.55 0.00 1.61 4.05 -1.26 -4.95 115.26 115.89 1cfc n ASN 97 Ca -0.06 -1.26 0.00 0.00 0.45 0.00 0.00 54.58 53.71 1cfc n ASN 97 Cb 0.32 0.68 0.00 0.00 1.23 0.00 0.00 39.78 42.01 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 1.45 1.12 3.28 8.20 0.00 -1.26 -5.02 105.19 112.96 1cfc n GLY 98 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.27 2.12 0.28 1.61 1.51 -1.26 -4.04 117.35 114.30 1cfc s TYR 99 Ca 0.00 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1cfc s TYR 99 Cb 0.00 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1cfc s TYR 99 CO 0.00 -0.01 0.23 0.96 -1.11 0.00 0.00 175.55 175.62 1cfc s ILE 100 N -0.60 0.00 0.23 2.71 -4.36 -0.96 -4.82 121.20 113.40 1cfc s ILE 100 Ca 0.09 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.21 1cfc s ILE 100 Cb -0.09 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.03 1cfc s ILE 100 CO -0.00 0.00 0.91 -0.94 0.24 0.00 0.00 174.94 175.15 1cfc s SER 101 N -3.29 7.57 0.38 4.36 1.04 -1.26 -1.00 113.70 121.50 1cfc s SER 101 Ca 0.40 1.88 0.21 0.00 0.48 0.00 0.00 55.95 58.91 1cfc s SER 101 Cb 0.04 -2.59 1.21 0.00 0.10 0.00 0.00 66.02 64.79 1cfc s SER 101 CO 0.22 0.15 1.67 0.00 0.98 0.00 0.00 173.24 176.25 1cfc h ALA 102 N 4.08 2.27 0.25 5.32 0.00 -1.90 0.31 119.26 129.59 1cfc h ALA 102 Ca -0.46 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cfc h ALA 102 Cb 1.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cfc h ALA 102 CO 0.67 -0.86 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 1cfc h ALA 103 N 1.74 -0.74 -0.03 0.00 0.00 -1.91 0.24 119.26 118.55 1cfc h ALA 103 Ca 0.74 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.59 1cfc h ALA 103 Cb 1.96 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1cfc h ALA 103 CO -0.50 -0.72 0.37 1.05 0.00 0.00 0.00 179.25 179.45 1cfc h GLU 104 N -0.48 0.00 0.04 0.00 4.11 -1.73 0.57 114.58 117.10 1cfc h GLU 104 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1cfc h GLU 104 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1cfc h GLU 104 CO 0.06 0.00 -0.02 1.25 0.07 0.00 0.00 179.01 180.37 1cfc h LEU 105 N 0.00 -0.05 -1.90 3.06 6.46 -0.11 -1.99 115.31 120.78 1cfc h LEU 105 Ca 0.01 -0.49 0.07 0.00 -0.12 0.00 0.00 57.88 57.36 1cfc h LEU 105 Cb 0.74 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 1cfc h LEU 105 CO -0.00 0.67 0.23 -0.09 -0.62 0.00 0.00 178.44 178.63 1cfc h ARG 106 N -0.97 0.12 -0.07 1.25 2.43 0.16 0.27 114.38 117.56 1cfc h ARG 106 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1cfc h ARG 106 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1cfc h ARG 106 CO 0.01 0.08 -0.42 1.25 -1.51 0.00 0.00 179.97 179.37 1cfc h HIS 107 N 0.12 0.17 -0.58 2.20 2.76 0.07 -2.10 115.15 117.80 1cfc h HIS 107 Ca 0.15 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1cfc h HIS 107 Cb 0.45 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1cfc h HIS 107 CO -0.00 0.55 0.17 0.28 -1.30 0.00 0.00 177.93 177.63 1cfc h VAL 108 N 0.13 1.23 -0.02 5.26 2.07 0.32 0.31 116.25 125.55 1cfc h VAL 108 Ca 0.01 -0.80 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 1cfc h VAL 108 Cb 0.80 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1cfc h VAL 108 CO 0.06 0.30 -0.79 0.24 0.02 0.00 0.00 177.57 177.40 1cfc h MET 109 N 0.85 0.19 0.11 1.57 2.86 -1.20 -2.95 114.93 116.36 1cfc h MET 109 Ca 0.19 -0.19 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 1cfc h MET 109 Cb 0.27 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1cfc h MET 109 CO -0.01 0.89 -1.29 1.15 1.06 0.00 0.00 176.91 178.71 1cfc h THR 110 N 0.12 1.10 0.00 2.22 2.02 -1.01 -3.34 112.91 114.02 1cfc h THR 110 Ca -0.03 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 1cfc h THR 110 Cb 1.39 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 70.56 1cfc h THR 110 CO 0.12 0.68 -0.07 -1.13 0.37 0.00 0.00 175.52 175.50 1cfc h ASN 111 N -0.37 0.00 -0.00 4.18 -1.24 -0.50 -1.45 115.58 116.20 1cfc h ASN 111 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1cfc h ASN 111 Cb 1.70 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.75 1cfc h ASN 111 CO 0.05 0.07 0.00 -0.07 -1.29 0.00 0.00 177.43 176.20 1cfc h LEU 112 N 0.00 0.00 0.00 0.34 3.38 -1.64 -3.45 115.31 113.94 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 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 -1.38 1.14 3.77 0.83 0.00 -0.54 -5.07 105.19 103.94 1cfc n GLY 113 Ca -0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.99 4.64 0.00 1.61 2.02 -1.25 -4.91 118.70 119.82 1cfc s GLU 114 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.36 1cfc s GLU 114 Cb 0.00 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1cfc s GLU 114 CO 0.00 0.33 1.75 1.63 0.02 0.00 0.00 175.26 178.98 1cfc n LYS 115 N 0.76 0.99 -2.70 1.61 4.76 -1.26 -4.85 118.16 117.47 1cfc n LYS 115 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1cfc n LYS 115 Cb 0.49 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 32.65 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 0.00 4.32 0.34 -0.35 1.43 -1.26 -5.02 118.68 118.13 1cfc s LEU 116 Ca 0.00 1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 54.48 1cfc s LEU 116 Cb 0.00 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 1cfc s LEU 116 CO 0.00 -0.34 0.89 0.42 0.23 0.00 0.00 176.35 177.55 1cfc s THR 117 N 1.45 4.37 0.52 5.49 -4.23 -1.26 -4.92 115.64 117.06 1cfc s THR 117 Ca 0.50 1.55 0.28 0.00 -1.18 0.00 0.00 61.69 62.85 1cfc s THR 117 Cb -0.20 -3.82 0.45 0.00 1.34 0.00 0.00 72.50 70.27 1cfc s THR 117 CO 0.24 -0.02 1.91 0.44 -0.54 0.00 0.00 174.62 176.65 1cfc h ASP 118 N 2.73 0.05 0.07 3.99 5.19 -2.00 -0.28 116.42 126.17 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 1.19 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1cfc h ASP 118 CO 0.64 0.02 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.41 1cfc h GLU 119 N 0.05 -0.09 -0.94 3.56 3.07 -2.00 -1.87 114.58 116.36 1cfc h GLU 119 Ca 0.38 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.37 1cfc h GLU 119 Cb 1.46 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.30 1cfc h GLU 119 CO -0.02 0.09 0.56 0.93 -1.40 0.00 0.00 179.01 179.16 1cfc h GLU 120 N -0.26 0.85 -0.37 2.33 5.08 -1.43 -0.32 114.58 120.47 1cfc h GLU 120 Ca -0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1cfc h GLU 120 Cb 0.22 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1cfc h GLU 120 CO 0.02 0.56 0.19 0.28 -1.00 0.00 0.00 179.01 179.06 1cfc h VAL 121 N 0.88 0.99 -0.42 3.13 2.07 -1.10 0.59 116.25 122.38 1cfc h VAL 121 Ca 0.47 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.95 1cfc h VAL 121 Cb 0.50 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1cfc h VAL 121 CO -0.28 0.07 0.29 0.44 0.02 0.00 0.00 177.57 178.11 1cfc h ASP 122 N 0.38 0.14 -0.07 0.57 3.32 -0.27 0.29 116.42 120.79 1cfc h ASP 122 Ca 0.15 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 1cfc h ASP 122 Cb 0.05 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.59 1cfc h ASP 122 CO -0.10 0.09 -0.89 -0.08 -1.72 0.00 0.00 179.24 176.54 1cfc h GLU 123 N 0.16 0.73 0.00 3.56 4.81 -0.27 -2.79 114.58 120.78 1cfc h GLU 123 Ca 0.20 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1cfc h GLU 123 Cb 0.57 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1cfc h GLU 123 CO -0.03 1.28 -0.05 0.52 -0.73 0.00 0.00 179.01 180.00 1cfc h MET 124 N 0.43 0.00 0.04 1.92 2.86 0.11 -2.89 114.93 117.41 1cfc h MET 124 Ca -0.09 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.32 1cfc h MET 124 Cb 1.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1cfc h MET 124 CO 0.18 0.05 -1.08 0.82 1.06 0.00 0.00 176.91 177.93 1cfc h ILE 125 N 0.00 1.64 -0.43 -1.22 2.04 -0.38 -3.20 117.51 115.97 1cfc h ILE 125 Ca -0.00 -3.31 0.05 0.00 1.00 0.00 0.00 64.86 62.60 1cfc h ILE 125 Cb 0.54 2.88 -0.05 0.00 -0.74 0.00 0.00 36.82 39.45 1cfc h ILE 125 CO 0.01 0.95 0.16 0.08 0.00 0.00 0.00 178.15 179.35 1cfc h ARG 126 N 0.02 0.32 0.00 2.37 0.11 -1.27 -2.17 114.38 113.77 1cfc h ARG 126 Ca -0.05 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 1cfc h ARG 126 Cb 1.84 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.84 1cfc h ARG 126 CO 0.15 0.21 -0.18 0.93 0.10 0.00 0.00 179.97 181.19 1cfc h GLU 127 N 0.33 0.00 -4.29 0.08 5.08 -1.70 -3.37 114.58 110.72 1cfc h GLU 127 Ca 0.20 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.81 1cfc h GLU 127 Cb 0.18 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.25 1cfc h GLU 127 CO -0.20 0.18 1.44 0.00 -1.00 0.00 0.00 179.01 179.43 1cfc n ALA 128 N -2.15 4.32 -1.06 3.43 0.00 -0.81 -4.91 120.51 119.34 1cfc n ALA 128 Ca 0.03 -4.32 -0.04 0.00 0.00 0.00 0.00 53.44 49.11 1cfc n ALA 128 Cb 0.59 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.03 1cfc n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cfc n ASP 129 N 4.82 -1.83 -0.03 0.00 9.92 -1.26 -4.57 116.55 123.61 1cfc n ASP 129 Ca 0.36 -1.19 0.10 0.00 -0.53 0.00 0.00 54.79 53.53 1cfc n ASP 129 Cb 0.40 -0.56 0.57 0.00 -0.64 0.00 0.00 41.12 40.89 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1cfc n ILE 130 N 4.53 0.01 -2.27 0.53 5.41 -1.26 -4.75 119.36 121.56 1cfc n ILE 130 Ca 0.13 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1cfc n ILE 130 Cb 0.41 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.75 0.81 0.00 4.38 2.03 -1.26 -4.21 116.55 117.54 1cfc n ASP 131 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 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 1.25 0.00 0.27 0.00 -1.26 -4.28 105.19 106.17 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 -0.08 -1.26 -5.09 116.55 112.05 1cfc n ASP 133 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cfc n ASP 133 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cfc n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cfc n GLY 134 N 1.24 2.12 3.62 0.27 0.00 -1.26 -5.12 105.19 106.05 1cfc n GLY 134 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 2.50 0.03 1.61 -0.21 -1.26 -3.70 119.66 118.63 1cfc s GLN 135 Ca 0.00 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.61 1cfc s GLN 135 Cb 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1cfc s GLN 135 CO 0.00 0.58 -0.07 0.08 -2.12 0.00 0.00 175.29 173.75 1cfc s VAL 136 N -1.10 0.50 0.71 1.09 1.01 -0.17 -4.87 120.40 117.56 1cfc s VAL 136 Ca 0.20 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1cfc s VAL 136 Cb -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1cfc s VAL 136 CO 0.11 -0.32 1.10 0.54 0.00 0.00 0.00 175.10 176.53 1cfc s ASN 137 N -1.37 5.39 -0.15 3.32 4.22 -1.26 -2.27 114.94 122.82 1cfc s ASN 137 Ca -0.09 1.14 0.17 0.00 -2.14 0.00 0.00 52.86 51.95 1cfc s ASN 137 Cb -0.09 -1.93 -0.25 0.00 1.28 0.00 0.00 41.25 40.26 1cfc s ASN 137 CO 0.00 -1.38 0.15 0.00 -2.04 0.00 0.00 177.10 173.83 1cfc n TYR 138 N -3.03 0.00 -0.33 1.54 4.11 -1.26 -4.48 117.16 113.71 1cfc n TYR 138 Ca 0.07 0.00 0.24 0.00 -0.00 0.00 0.00 57.90 58.21 1cfc n TYR 138 Cb 0.57 -0.82 0.45 0.00 -0.00 0.00 0.00 39.34 39.54 1cfc n TYR 138 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1cfc n GLU 139 N -2.58 -0.07 -0.06 -3.48 4.71 -1.26 0.11 120.64 118.01 1cfc n GLU 139 Ca -0.24 1.44 -0.15 0.00 -0.01 0.00 0.00 57.16 58.19 1cfc n GLU 139 Cb 0.98 -2.43 -0.06 0.00 -1.01 0.00 0.00 31.44 28.92 1cfc n GLU 139 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1cfc h GLU 140 N 0.00 0.70 0.00 3.49 5.08 -2.01 -2.92 114.58 118.91 1cfc h GLU 140 Ca 0.73 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1cfc h GLU 140 Cb 1.76 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1cfc h GLU 140 CO -0.85 1.09 -0.03 0.74 -1.00 0.00 0.00 179.01 178.96 1cfc h PHE 141 N 0.40 0.00 0.09 4.33 0.04 0.56 -2.88 116.94 119.49 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 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1cfc h PHE 141 CO 0.09 0.03 -0.04 0.28 -0.60 0.00 0.00 178.31 178.06 1cfc h VAL 142 N 0.00 1.13 0.00 -0.55 2.07 0.76 -2.91 116.25 116.75 1cfc h VAL 142 Ca -0.00 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1cfc h VAL 142 Cb 0.53 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1cfc h VAL 142 CO 0.00 0.30 -0.04 1.56 0.02 0.00 0.00 177.57 179.41 1cfc h GLN 143 N -0.78 0.00 -0.03 1.57 4.20 -1.53 -2.66 115.11 115.88 1cfc h GLN 143 Ca -0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 1cfc h GLN 143 Cb 0.58 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.38 1cfc h GLN 143 CO 0.02 0.04 -0.98 0.52 -0.67 0.00 0.00 178.83 177.76 1cfc h MET 144 N 0.00 0.69 0.00 1.46 2.86 -1.49 -3.07 114.93 115.37 1cfc h MET 144 Ca -0.00 -0.70 -0.03 0.00 -2.06 0.00 0.00 59.70 56.91 1cfc h MET 144 Cb 0.30 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1cfc h MET 144 CO 0.01 1.29 -0.14 0.52 1.06 0.00 0.00 176.91 179.64 1cfc h MET 145 N 0.40 0.00 -0.82 1.72 2.86 -1.27 -1.43 114.93 116.40 1cfc h MET 145 Ca -0.11 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1cfc h MET 145 Cb 1.63 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.20 1cfc h MET 145 CO 0.19 0.14 0.19 0.25 1.06 0.00 0.00 176.91 178.74 1cfc n THR 146 N -3.50 2.23 0.00 2.22 -2.24 -1.16 -4.73 114.28 107.10 1cfc n THR 146 Ca -0.01 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 1cfc n THR 146 Cb 0.29 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.01 0.00 1.48 6.98 0.00 -0.54 -5.05 120.51 123.38 1cfc n ALA 147 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.85 1cfc n ALA 147 Cb 1.10 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.25 1cfc n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13