#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 1.05 -4.90 0.00 9.92 -1.26 -4.80 116.55 116.57 1cfc n ASP 2 Ca 0.00 -2.00 -0.32 0.00 -0.53 0.00 0.00 54.79 51.94 1cfc n ASP 2 Cb 0.00 -0.50 -0.05 0.00 -0.64 0.00 0.00 41.12 39.93 1cfc n ASP 2 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1cfc s GLN 3 N -0.97 3.59 0.10 -1.24 -0.21 -1.26 -4.84 119.66 114.82 1cfc s GLN 3 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 55.36 54.94 1cfc s GLN 3 Cb 0.00 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.00 1cfc s GLN 3 CO 0.00 0.54 1.28 -0.51 -2.12 0.00 0.00 175.29 174.48 1cfc s LEU 4 N -2.39 4.38 0.62 2.90 1.43 -1.26 -5.00 118.68 119.35 1cfc s LEU 4 Ca 0.37 2.17 -0.14 0.00 -1.03 0.00 0.00 54.13 55.50 1cfc s LEU 4 Cb -0.13 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1cfc s LEU 4 CO 0.23 -0.54 1.04 0.42 0.23 0.00 0.00 176.35 177.73 1cfc s THR 5 N 0.97 4.12 0.41 5.49 -4.23 -1.26 -4.86 115.64 116.27 1cfc s THR 5 Ca 0.61 0.86 0.14 0.00 -1.18 0.00 0.00 61.69 62.12 1cfc s THR 5 Cb -0.33 -3.51 0.35 0.00 1.34 0.00 0.00 72.50 70.36 1cfc s THR 5 CO 0.30 -0.73 1.89 -0.33 -0.54 0.00 0.00 174.62 175.22 1cfc h GLU 6 N 0.05 0.47 0.28 3.99 5.08 -2.00 -1.81 114.58 120.65 1cfc h GLU 6 Ca -0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1cfc h GLU 6 Cb 1.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1cfc h GLU 6 CO 0.58 0.31 -0.13 0.93 -1.00 0.00 0.00 179.01 179.70 1cfc h GLU 7 N 0.49 -0.36 -1.00 2.33 5.08 -1.99 -2.14 114.58 116.98 1cfc h GLU 7 Ca 0.41 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 59.02 1cfc h GLU 7 Cb 0.87 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 1cfc h GLU 7 CO -0.15 -0.04 0.62 1.96 -1.00 0.00 0.00 179.01 180.41 1cfc h GLN 8 N -0.74 0.56 -0.33 2.33 4.20 -1.72 0.57 115.11 119.98 1cfc h GLN 8 Ca -0.04 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1cfc h GLN 8 Cb 0.49 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1cfc h GLN 8 CO 0.06 0.37 -0.20 0.82 -0.67 0.00 0.00 178.83 179.21 1cfc h ILE 9 N 0.57 1.26 -0.09 2.54 2.04 -1.19 -2.57 117.51 120.08 1cfc h ILE 9 Ca 0.58 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1cfc h ILE 9 Cb 1.17 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1cfc h ILE 9 CO -0.34 0.41 -0.26 0.00 0.00 0.00 0.00 178.15 177.96 1cfc h ALA 10 N 1.22 0.15 -0.67 1.87 0.00 0.66 -1.94 119.26 120.55 1cfc h ALA 10 Ca 0.09 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.72 1cfc h ALA 10 Cb 0.66 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1cfc h ALA 10 CO 0.05 0.15 0.16 1.49 0.00 0.00 0.00 179.25 181.10 1cfc h GLU 11 N -0.15 0.28 0.00 0.00 4.22 -0.54 0.47 114.58 118.86 1cfc h GLU 11 Ca -0.01 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 1cfc h GLU 11 Cb 0.88 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1cfc h GLU 11 CO 0.05 0.18 -0.30 0.74 -2.18 0.00 0.00 179.01 177.51 1cfc h PHE 12 N 0.29 0.00 -0.26 0.92 0.04 -1.45 -2.74 116.94 113.73 1cfc h PHE 12 Ca 0.36 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.96 1cfc h PHE 12 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1cfc h PHE 12 CO -0.25 0.30 -0.51 -0.22 -0.60 0.00 0.00 178.31 177.03 1cfc h LYS 13 N 0.00 0.81 -0.43 1.51 3.64 0.66 0.39 116.57 123.15 1cfc h LYS 13 Ca -0.00 -0.52 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1cfc h LYS 13 Cb 0.83 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1cfc h LYS 13 CO 0.04 1.15 0.09 0.93 -2.27 0.00 0.00 179.45 179.39 1cfc h GLU 14 N 0.57 0.70 0.00 1.90 5.08 -0.84 -0.24 114.58 121.76 1cfc h GLU 14 Ca 0.01 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1cfc h GLU 14 Cb 1.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1cfc h GLU 14 CO 0.11 0.72 -0.31 0.00 -1.00 0.00 0.00 179.01 178.54 1cfc h ALA 15 N 0.95 1.12 0.02 3.43 0.00 -1.44 -1.58 119.26 121.76 1cfc h ALA 15 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1cfc h ALA 15 Cb 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cfc h ALA 15 CO 0.00 0.38 -0.22 0.35 0.00 0.00 0.00 179.25 179.77 1cfc h PHE 16 N 0.00 0.19 -0.01 0.00 3.04 -0.41 -3.28 116.94 116.46 1cfc h PHE 16 Ca -0.00 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 61.76 1cfc h PHE 16 Cb 0.72 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1cfc h PHE 16 CO 0.00 0.98 -0.31 0.66 -2.02 0.00 0.00 178.31 177.62 1cfc h SER 17 N -0.66 0.03 -0.03 0.41 4.64 -1.03 -2.49 113.55 114.42 1cfc h SER 17 Ca -0.03 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1cfc h SER 17 Cb 1.06 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1cfc h SER 17 CO 0.04 0.34 0.42 -0.07 -0.87 0.00 0.00 176.83 176.70 1cfc h LEU 18 N 0.02 0.00 -2.91 5.97 3.38 -1.34 0.19 115.31 120.62 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 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1cfc h LEU 18 CO 0.04 0.00 -0.17 0.49 0.09 0.00 0.00 178.44 178.89 1cfc n PHE 19 N -2.89 0.00 -2.91 1.13 3.01 -0.94 -4.84 117.46 110.02 1cfc n PHE 19 Ca -0.01 -1.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.03 1cfc n PHE 19 Cb 0.47 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.79 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 -1.20 6.68 0.00 4.37 2.03 0.67 -4.72 116.55 124.38 1cfc n ASP 20 Ca 0.15 -3.49 0.11 0.00 0.52 0.00 0.00 54.79 52.08 1cfc n ASP 20 Cb 0.67 -1.25 0.61 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 0.97 0.57 -0.11 -0.67 4.76 -1.26 -2.38 118.16 120.04 1cfc n LYS 21 Ca 0.31 0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1cfc n LYS 21 Cb 0.31 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.08 3.25 -1.41 4.39 9.92 -1.26 -4.91 116.55 125.44 1cfc n ASP 22 Ca 0.14 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.79 52.32 1cfc n ASP 22 Cb 0.10 -0.15 -0.04 0.00 -0.64 0.00 0.00 41.12 40.39 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 1.44 0.74 1.05 0.44 0.00 -1.00 -4.71 105.19 103.16 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 -0.27 3.22 -1.01 1.61 2.03 -1.26 -4.94 116.55 115.92 1cfc n ASP 24 Ca -0.10 -2.00 -0.10 0.00 0.52 0.00 0.00 54.79 53.11 1cfc n ASP 24 Cb 0.34 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 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 1.42 0.43 3.18 0.27 0.00 -1.26 -5.00 105.19 104.23 1cfc n GLY 25 Ca 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.07 0.09 2.61 -4.23 -1.26 -3.75 115.64 106.71 1cfc s THR 26 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1cfc s THR 26 Cb 0.00 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1cfc s THR 26 CO 0.00 -0.19 0.02 0.27 -0.54 0.00 0.00 174.62 174.17 1cfc s ILE 27 N -4.09 0.16 0.58 2.99 -4.36 -0.57 -4.46 121.20 111.45 1cfc s ILE 27 Ca 0.33 -1.84 -0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1cfc s ILE 27 Cb 0.07 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 42.04 1cfc s ILE 27 CO 0.08 -0.74 0.87 0.42 0.24 0.00 0.00 174.94 175.81 1cfc s THR 28 N -3.98 3.43 0.29 8.37 -4.23 -1.26 -1.03 115.64 117.23 1cfc s THR 28 Ca 0.15 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1cfc s THR 28 Cb 0.08 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.61 1cfc s THR 28 CO -0.04 -0.34 1.71 0.71 -0.54 0.00 0.00 174.62 176.12 1cfc h THR 29 N -0.12 1.29 0.00 3.99 1.35 -1.87 -2.51 112.91 115.04 1cfc h THR 29 Ca -0.45 -1.42 -0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1cfc h THR 29 Cb 1.27 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1cfc h THR 29 CO 0.59 0.43 -0.00 0.11 -0.25 0.00 0.00 175.52 176.40 1cfc h LYS 30 N 0.27 0.00 -0.51 4.72 1.57 -1.93 -0.24 116.57 120.45 1cfc h LYS 30 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1cfc h LYS 30 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1cfc h LYS 30 CO 0.06 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 1cfc n GLU 31 N -4.05 2.59 0.02 3.15 1.02 -0.96 -4.44 120.64 117.96 1cfc n GLU 31 Ca -0.03 -2.42 -0.13 0.00 -0.02 0.00 0.00 57.16 54.56 1cfc n GLU 31 Cb 0.08 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.03 -1.67 -4.62 5.85 -0.90 -1.95 115.31 116.44 1cfc h LEU 32 Ca 0.00 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1cfc h LEU 32 Cb 0.99 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1cfc h LEU 32 CO 0.00 0.32 -0.18 1.23 -0.34 0.00 0.00 178.44 179.47 1cfc h GLY 33 N -0.38 0.00 1.10 3.75 0.00 -1.78 -1.88 103.07 103.88 1cfc h GLY 33 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1cfc h GLY 33 CO 0.01 0.00 -0.24 -0.84 0.00 0.00 0.00 176.54 175.46 1cfc h THR 34 N 0.00 1.27 0.16 4.70 2.02 -1.75 -0.11 112.91 119.20 1cfc h THR 34 Ca -0.00 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 1cfc h THR 34 Cb 0.33 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1cfc h THR 34 CO 0.02 0.48 -0.08 0.58 0.37 0.00 0.00 175.52 176.90 1cfc h VAL 35 N 0.80 0.97 -0.52 3.16 2.07 -0.79 -2.09 116.25 119.85 1cfc h VAL 35 Ca 0.10 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.02 1cfc h VAL 35 Cb 0.82 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1cfc h VAL 35 CO 0.07 0.16 0.36 0.24 0.02 0.00 0.00 177.57 178.42 1cfc h MET 36 N -0.56 0.26 -0.08 1.57 2.86 -1.34 0.19 114.93 117.83 1cfc h MET 36 Ca -0.02 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1cfc h MET 36 Cb 0.43 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1cfc h MET 36 CO 0.04 0.17 -0.32 0.00 1.06 0.00 0.00 176.91 177.85 1cfc h ARG 37 N 0.27 0.15 -0.32 1.72 2.47 -0.61 -1.28 114.38 116.78 1cfc h ARG 37 Ca 0.24 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.84 1cfc h ARG 37 Cb 0.61 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 1cfc h ARG 37 CO -0.05 0.46 -0.11 0.66 0.56 0.00 0.00 179.97 181.49 1cfc h SER 38 N 0.13 0.53 0.00 7.04 4.64 0.06 -1.33 113.55 124.62 1cfc h SER 38 Ca 0.02 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1cfc h SER 38 Cb 0.64 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1cfc h SER 38 CO 0.05 0.68 0.00 0.18 -0.87 0.00 0.00 176.83 176.86 1cfc n LEU 39 N -4.20 0.00 0.00 5.97 4.77 -0.96 -4.84 117.00 117.75 1cfc n LEU 39 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1cfc n LEU 39 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1cfc n LEU 39 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1cfc n GLY 40 N 0.80 0.62 3.90 -0.72 0.00 -0.50 -5.06 105.19 104.23 1cfc n GLY 40 Ca 0.19 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1cfc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfc s GLN 41 N -1.03 3.44 -0.45 1.61 -0.21 -0.52 -5.00 119.66 117.50 1cfc s GLN 41 Ca 0.00 -0.25 0.06 0.00 0.02 0.00 0.00 55.36 55.19 1cfc s GLN 41 Cb 0.00 -3.13 0.22 0.00 1.00 0.00 0.00 33.01 31.10 1cfc s GLN 41 CO 0.00 0.71 0.48 -1.71 -2.12 0.00 0.00 175.29 172.66 1cfc n ASN 42 N 1.32 0.58 -4.77 5.90 5.15 -1.26 -3.49 115.26 118.68 1cfc n ASN 42 Ca -0.14 -2.71 -0.35 0.00 -0.60 0.00 0.00 54.58 50.78 1cfc n ASN 42 Cb 0.53 -0.62 0.01 0.00 -0.53 0.00 0.00 39.78 39.17 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 -0.94 3.27 1.09 1.20 0.04 -1.26 -5.02 135.00 133.39 1cfc s PRO 43 Ca 0.34 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 1cfc s PRO 43 Cb 0.11 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.88 1cfc s PRO 43 CO -0.13 -0.90 1.12 0.95 0.04 0.00 0.00 177.00 178.07 1cfc s THR 44 N -1.90 1.81 0.17 1.26 -4.23 -1.26 -4.82 115.64 106.67 1cfc s THR 44 Ca 0.71 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.12 1cfc s THR 44 Cb -0.23 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1cfc s THR 44 CO 0.30 0.00 1.60 -0.33 -0.54 0.00 0.00 174.62 175.65 1cfc h GLU 45 N -2.20 1.04 -0.63 3.99 4.39 -1.99 -2.36 114.58 116.82 1cfc h GLU 45 Ca -0.49 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 58.74 1cfc h GLU 45 Cb 1.31 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1cfc h GLU 45 CO 0.46 1.07 0.05 0.00 -1.16 0.00 0.00 179.01 179.43 1cfc h ALA 46 N 0.94 0.90 -0.87 3.43 0.00 -1.98 0.19 119.26 121.87 1cfc h ALA 46 Ca 0.15 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1cfc h ALA 46 Cb 0.66 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1cfc h ALA 46 CO 0.05 0.66 0.58 0.93 0.00 0.00 0.00 179.25 181.47 1cfc h GLU 47 N 0.99 1.14 -0.11 0.00 5.08 -1.87 0.16 114.58 119.98 1cfc h GLU 47 Ca 0.19 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1cfc h GLU 47 Cb 0.50 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1cfc h GLU 47 CO 0.02 0.75 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.45 1cfc h LEU 48 N 1.17 0.42 -1.61 1.33 3.38 -0.85 -3.06 115.31 116.10 1cfc h LEU 48 Ca 0.32 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1cfc h LEU 48 Cb -0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1cfc h LEU 48 CO -0.07 0.93 -0.10 1.56 0.09 0.00 0.00 178.44 180.84 1cfc h GLN 49 N -0.07 0.00 -0.08 1.13 4.20 -0.20 -2.27 115.11 117.82 1cfc h GLN 49 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1cfc h GLN 49 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1cfc h GLN 49 CO 0.06 0.10 -0.33 0.22 -0.67 0.00 0.00 178.83 178.21 1cfc h ASP 50 N 0.00 0.42 0.36 1.46 3.58 -0.65 -1.93 116.42 119.67 1cfc h ASP 50 Ca -0.00 -0.64 -0.10 0.00 0.42 0.00 0.00 57.03 56.71 1cfc h ASP 50 Cb 0.50 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1cfc h ASP 50 CO 0.01 0.99 -0.44 0.24 -2.88 0.00 0.00 179.24 177.16 1cfc h MET 51 N -0.12 0.11 -0.41 0.28 2.86 -1.43 -2.89 114.93 113.34 1cfc h MET 51 Ca -0.02 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1cfc h MET 51 Cb 0.97 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1cfc h MET 51 CO 0.07 0.54 -0.06 0.82 1.06 0.00 0.00 176.91 179.34 1cfc h ILE 52 N 0.09 1.27 -0.53 -1.22 2.04 -1.36 -0.35 117.51 117.46 1cfc h ILE 52 Ca 0.01 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.82 1cfc h ILE 52 Cb 0.83 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1cfc h ILE 52 CO 0.06 0.38 0.36 -1.13 0.00 0.00 0.00 178.15 177.82 1cfc h ASN 53 N 0.58 0.32 0.02 1.72 -0.73 -1.13 1.07 115.58 117.42 1cfc h ASN 53 Ca 0.11 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 1cfc h ASN 53 Cb 0.57 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.10 1cfc h ASN 53 CO 0.03 0.20 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.80 1cfc h GLU 54 N 0.36 0.03 0.00 6.67 4.39 -1.40 -3.33 114.58 121.30 1cfc h GLU 54 Ca 0.24 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1cfc h GLU 54 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1cfc h GLU 54 CO -0.06 1.03 -0.35 0.28 -1.16 0.00 0.00 179.01 178.74 1cfc h VAL 55 N -0.93 1.07 0.00 3.13 2.07 -0.66 -2.84 116.25 118.10 1cfc h VAL 55 Ca -0.04 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1cfc h VAL 55 Cb 1.09 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1cfc h VAL 55 CO 0.00 0.35 0.00 -0.67 0.02 0.00 0.00 177.57 177.27 1cfc n ASP 56 N -3.86 4.73 0.17 0.57 2.03 0.36 -3.90 116.55 116.66 1cfc n ASP 56 Ca -0.01 -2.29 0.07 0.00 0.52 0.00 0.00 54.79 53.07 1cfc n ASP 56 Cb 0.42 -0.97 0.09 0.00 -0.72 0.00 0.00 41.12 39.94 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 0.81 0.00 -1.67 0.00 -1.68 -3.07 119.26 114.92 1cfc h ALA 57 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cfc h ALA 57 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cfc h ALA 57 CO 0.00 0.36 0.00 0.22 0.00 0.00 0.00 179.25 179.83 1cfc h ASP 58 N 0.00 0.00 0.00 0.00 1.82 -1.87 -3.47 116.42 112.90 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 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 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 1.14 0.41 0.13 -0.78 0.00 -1.16 -4.93 105.19 100.01 1cfc n GLY 59 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.65 1.97 -0.19 1.61 4.13 -1.26 -5.04 115.26 118.13 1cfc n ASN 60 Ca 0.00 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1cfc n ASN 60 Cb 0.00 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 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 1.87 1.01 3.19 7.41 0.00 -1.26 -5.07 105.19 112.34 1cfc n GLY 61 Ca -0.49 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.39 0.10 -0.01 2.61 -4.23 -1.26 -2.98 115.64 107.48 1cfc s THR 62 Ca 0.00 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1cfc s THR 62 Cb 0.00 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.50 1cfc s THR 62 CO 0.00 -0.17 0.01 -0.63 -0.54 0.00 0.00 174.62 173.30 1cfc s ILE 63 N -4.08 -0.02 0.34 2.99 1.01 -0.20 -4.86 121.20 116.39 1cfc s ILE 63 Ca 0.34 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.11 1cfc s ILE 63 Cb 0.07 -0.04 -0.01 0.00 0.01 0.00 0.00 42.46 42.49 1cfc s ILE 63 CO 0.09 0.02 0.43 1.51 0.00 0.00 0.00 174.94 176.99 1cfc s ASP 64 N 0.29 5.75 0.18 3.58 1.47 -1.26 -1.51 116.67 125.16 1cfc s ASP 64 Ca -0.02 -0.30 -0.14 0.00 1.18 0.00 0.00 52.55 53.27 1cfc s ASP 64 Cb -0.03 -1.10 0.09 0.00 -0.34 0.00 0.00 42.92 41.53 1cfc s ASP 64 CO -0.01 -0.45 1.83 0.15 0.68 0.00 0.00 175.17 177.37 1cfc h PHE 65 N 0.96 0.62 -0.30 2.11 3.57 -1.98 -1.04 116.94 120.89 1cfc h PHE 65 Ca -0.45 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1cfc h PHE 65 Cb 1.26 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.72 1cfc h PHE 65 CO 0.45 0.37 -0.18 -1.35 -2.23 0.00 0.00 178.31 175.38 1cfc h PRO 66 N 0.66 -0.14 -0.08 6.41 0.11 -1.96 0.27 132.00 137.28 1cfc h PRO 66 Ca 0.20 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1cfc h PRO 66 Cb -0.02 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1cfc h PRO 66 CO -0.07 -0.09 -0.10 0.93 -0.21 0.00 0.00 178.00 178.46 1cfc h GLU 67 N -0.14 0.13 -0.41 1.05 5.08 -1.91 -1.14 114.58 117.23 1cfc h GLU 67 Ca 0.16 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1cfc h GLU 67 Cb 0.38 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1cfc h GLU 67 CO -0.39 0.23 -0.06 0.35 -1.00 0.00 0.00 179.01 178.15 1cfc h PHE 68 N 0.12 0.75 0.00 4.33 3.57 0.77 -1.46 116.94 125.01 1cfc h PHE 68 Ca 0.03 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1cfc h PHE 68 Cb 0.26 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1cfc h PHE 68 CO 0.00 0.74 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.39 1cfc h LEU 69 N 0.65 0.00 -0.99 0.59 3.38 0.38 -2.36 115.31 116.96 1cfc h LEU 69 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1cfc h LEU 69 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1cfc h LEU 69 CO 0.03 0.36 -0.38 0.74 0.09 0.00 0.00 178.44 179.27 1cfc h THR 70 N 0.00 1.30 -0.24 0.22 2.02 -0.73 0.33 112.91 115.80 1cfc h THR 70 Ca -0.00 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.62 1cfc h THR 70 Cb 0.74 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1cfc h THR 70 CO 0.05 0.43 -0.27 0.24 0.37 0.00 0.00 175.52 176.34 1cfc h MET 71 N 0.21 0.60 -0.13 6.66 2.86 -1.05 0.25 114.93 124.32 1cfc h MET 71 Ca 0.02 -0.33 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1cfc h MET 71 Cb 0.77 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1cfc h MET 71 CO 0.06 0.93 -0.58 0.52 1.06 0.00 0.00 176.91 178.90 1cfc h MET 72 N 0.31 0.42 -0.09 1.72 2.07 -1.25 -1.00 114.93 117.11 1cfc h MET 72 Ca 0.03 -0.28 -0.19 0.00 -2.07 0.00 0.00 59.70 57.19 1cfc h MET 72 Cb 0.84 0.04 0.01 0.00 -1.87 0.00 0.00 31.60 30.61 1cfc h MET 72 CO 0.07 0.88 -0.69 0.00 1.07 0.00 0.00 176.91 178.23 1cfc h ALA 73 N 1.06 0.21 0.00 6.32 0.00 -0.25 0.53 119.26 127.12 1cfc h ALA 73 Ca -0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1cfc h ALA 73 Cb 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1cfc h ALA 73 CO 0.10 0.53 -0.36 0.07 0.00 0.00 0.00 179.25 179.58 1cfc h ARG 74 N 0.28 0.00 0.00 0.00 -0.00 -0.49 -2.73 114.38 111.44 1cfc h ARG 74 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 1cfc h ARG 74 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.31 1cfc h ARG 74 CO 0.14 0.36 -0.09 0.87 -0.00 0.00 0.00 179.97 181.25 1cfc h LYS 75 N 0.00 0.00 -0.12 0.08 1.57 -1.09 -3.39 116.57 113.62 1cfc h LYS 75 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1cfc h LYS 75 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 1cfc h LYS 75 CO 0.05 0.53 -0.25 0.52 -0.57 0.00 0.00 179.45 179.73 1cfc h MET 76 N -1.00 -0.31 -1.56 3.15 2.86 0.07 -0.56 114.93 117.58 1cfc h MET 76 Ca -0.02 0.02 0.50 0.00 -2.06 0.00 0.00 59.70 58.14 1cfc h MET 76 Cb 0.57 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.19 1cfc h MET 76 CO -0.01 -0.20 1.06 0.36 1.06 0.00 0.00 176.91 179.17 1cfc n LYS 77 N -5.37 -0.02 -0.32 1.72 2.85 -1.03 0.62 118.16 116.61 1cfc n LYS 77 Ca -0.03 1.16 0.16 0.00 -1.05 0.00 0.00 58.31 58.55 1cfc n LYS 77 Cb 0.28 -2.41 0.35 0.00 -0.65 0.00 0.00 35.03 32.60 1cfc n LYS 77 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1cfc h ASP 78 N 0.00 0.35 -0.61 -5.58 1.82 -1.29 0.49 116.42 111.61 1cfc h ASP 78 Ca 0.88 0.17 -0.41 0.00 -0.39 0.00 0.00 57.03 57.28 1cfc h ASP 78 Cb 3.10 0.15 -0.18 0.00 0.68 0.00 0.00 39.33 43.09 1cfc h ASP 78 CO -0.29 -0.05 0.52 1.07 -1.61 0.00 0.00 179.24 178.89 1cfc n THR 79 N -5.06 2.95 -0.95 2.25 5.66 0.20 -4.95 114.28 114.38 1cfc n THR 79 Ca 0.25 -1.92 -0.37 0.00 -3.05 0.00 0.00 64.05 58.96 1cfc n THR 79 Cb 0.75 -1.25 0.05 0.00 -1.55 0.00 0.00 70.33 68.33 1cfc n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cfc n ASP 80 N -0.00 -3.96 0.21 1.09 5.75 0.17 -4.80 116.55 115.01 1cfc n ASP 80 Ca 0.38 0.07 0.12 0.00 -0.01 0.00 0.00 54.79 55.35 1cfc n ASP 80 Cb 0.64 -0.68 0.19 0.00 -1.03 0.00 0.00 41.12 40.23 1cfc n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1cfc h SER 81 N -1.15 0.00 -0.06 -1.12 0.87 -1.94 -3.24 113.55 106.93 1cfc h SER 81 Ca -0.43 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1cfc h SER 81 Cb 1.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1cfc h SER 81 CO 0.24 0.00 0.03 -0.33 -0.53 0.00 0.00 176.83 176.24 1cfc h GLU 82 N 0.00 0.08 0.00 2.24 5.08 -1.97 -2.04 114.58 117.98 1cfc h GLU 82 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1cfc h GLU 82 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1cfc h GLU 82 CO 0.00 0.19 0.00 0.93 -1.00 0.00 0.00 179.01 179.13 1cfc h GLU 83 N -0.04 0.00 0.00 2.33 5.08 -1.89 -2.15 114.58 117.90 1cfc h GLU 83 Ca 0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1cfc h GLU 83 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1cfc h GLU 83 CO -0.00 0.00 -0.76 0.93 -1.00 0.00 0.00 179.01 178.18 1cfc h GLU 84 N 0.00 0.00 0.03 2.33 5.08 -1.44 -2.54 114.58 118.04 1cfc h GLU 84 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1cfc h GLU 84 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1cfc h GLU 84 CO 0.00 0.76 -0.49 0.82 -1.00 0.00 0.00 179.01 179.10 1cfc h ILE 85 N 0.00 1.51 -0.21 3.13 2.04 -1.06 -2.54 117.51 120.38 1cfc h ILE 85 Ca -0.01 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 1cfc h ILE 85 Cb 1.45 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 40.37 1cfc h ILE 85 CO 0.10 0.61 0.02 0.08 0.00 0.00 0.00 178.15 178.96 1cfc h ARG 86 N -0.36 0.35 0.00 2.37 0.11 -1.62 0.58 114.38 115.82 1cfc h ARG 86 Ca -0.07 -0.10 -0.00 0.00 0.10 0.00 0.00 59.98 59.91 1cfc h ARG 86 Cb 1.26 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 1cfc h ARG 86 CO 0.09 0.52 -0.02 0.93 0.10 0.00 0.00 179.97 181.60 1cfc h GLU 87 N 0.14 0.00 0.15 0.08 4.39 -1.55 0.14 114.58 117.93 1cfc h GLU 87 Ca 0.06 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1cfc h GLU 87 Cb 0.34 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1cfc h GLU 87 CO 0.01 0.02 -0.87 0.00 -1.16 0.00 0.00 179.01 177.00 1cfc h ALA 88 N 1.98 -0.10 0.00 3.43 0.00 -0.89 -2.47 119.26 121.22 1cfc h ALA 88 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1cfc h ALA 88 Cb 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cfc h ALA 88 CO 0.00 0.40 -0.05 0.74 0.00 0.00 0.00 179.25 180.34 1cfc h PHE 89 N -0.33 0.00 -0.24 0.00 0.04 0.38 -0.30 116.94 116.49 1cfc h PHE 89 Ca -0.15 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.48 1cfc h PHE 89 Cb 1.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.83 1cfc h PHE 89 CO 0.19 0.05 -0.39 0.00 -0.60 0.00 0.00 178.31 177.57 1cfc h ARG 90 N 0.00 0.70 0.00 1.51 3.08 -0.67 -1.67 114.38 117.32 1cfc h ARG 90 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1cfc h ARG 90 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1cfc h ARG 90 CO 0.01 1.04 0.31 0.28 -1.07 0.00 0.00 179.97 180.53 1cfc h VAL 91 N 0.42 0.00 -0.00 2.04 2.07 -0.58 0.28 116.25 120.48 1cfc h VAL 91 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1cfc h VAL 91 Cb 0.98 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1cfc h VAL 91 CO 0.09 0.00 -0.83 0.49 0.02 0.00 0.00 177.57 177.34 1cfc n PHE 92 N -2.70 0.00 -2.43 1.57 3.01 -0.66 -4.60 117.46 111.65 1cfc n PHE 92 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1cfc n PHE 92 Cb 0.35 -0.01 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 -1.09 5.13 0.33 4.37 2.03 0.99 -4.75 116.55 123.56 1cfc n ASP 93 Ca 0.06 -3.10 0.21 0.00 0.52 0.00 0.00 54.79 52.47 1cfc n ASP 93 Cb 0.37 -1.49 1.10 0.00 -0.72 0.00 0.00 41.12 40.38 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 5.92 0.00 -0.61 -0.67 1.57 -1.81 0.75 116.57 121.73 1cfc h LYS 94 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1cfc h LYS 94 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1cfc h LYS 94 CO 1.57 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.98 1cfc n ASP 95 N -2.98 3.74 -3.48 0.86 -0.08 -1.26 -4.93 116.55 108.41 1cfc n ASP 95 Ca -0.03 -2.00 -0.24 0.00 -1.51 0.00 0.00 54.79 51.01 1cfc n ASP 95 Cb 0.14 -0.40 -0.01 0.00 2.34 0.00 0.00 41.12 43.18 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 1.61 -0.47 0.14 0.27 0.00 0.26 -4.82 105.19 102.17 1cfc n GLY 96 Ca 0.23 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.27 1.97 0.00 1.61 2.85 -1.26 -5.02 115.26 113.13 1cfc n ASN 97 Ca 0.01 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1cfc n ASN 97 Cb 0.52 -0.69 0.00 0.00 1.24 0.00 0.00 39.78 40.85 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 1.59 0.87 3.13 8.20 0.00 -1.26 -5.12 105.19 112.61 1cfc n GLY 98 Ca -0.51 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.87 1.11 0.14 1.61 1.51 -1.26 -4.40 117.35 114.19 1cfc s TYR 99 Ca 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1cfc s TYR 99 Cb 0.00 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1cfc s TYR 99 CO 0.00 0.02 0.07 0.96 -1.11 0.00 0.00 175.55 175.49 1cfc s ILE 100 N -0.92 0.09 0.25 2.71 -4.36 -1.18 -4.90 121.20 112.90 1cfc s ILE 100 Ca -0.00 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 1cfc s ILE 100 Cb -0.08 -2.06 -0.09 0.00 1.25 0.00 0.00 42.46 41.48 1cfc s ILE 100 CO 0.01 -0.43 1.01 -0.94 0.24 0.00 0.00 174.94 174.83 1cfc s SER 101 N -3.05 7.48 0.55 4.36 1.04 -1.26 -2.09 113.70 120.74 1cfc s SER 101 Ca 0.25 2.09 0.50 0.00 0.48 0.00 0.00 55.95 59.26 1cfc s SER 101 Cb 0.07 -2.62 1.70 0.00 0.10 0.00 0.00 66.02 65.28 1cfc s SER 101 CO 0.02 0.02 1.54 0.00 0.98 0.00 0.00 173.24 175.81 1cfc n ALA 102 N 1.40 1.87 0.32 5.32 0.00 -1.26 0.12 120.51 128.28 1cfc n ALA 102 Ca -0.01 0.64 -0.16 0.00 0.00 0.00 0.00 53.44 53.91 1cfc n ALA 102 Cb 0.46 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1cfc n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cfc h ALA 103 N 0.97 -0.84 -0.33 0.00 0.00 -1.94 0.23 119.26 117.36 1cfc h ALA 103 Ca 0.92 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.72 1cfc h ALA 103 Cb 3.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 21.85 1cfc h ALA 103 CO -0.01 -0.86 0.28 0.93 0.00 0.00 0.00 179.25 179.59 1cfc h GLU 104 N -1.05 0.00 0.02 0.00 5.08 -0.68 0.32 114.58 118.27 1cfc h GLU 104 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1cfc h GLU 104 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1cfc h GLU 104 CO 0.14 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.39 1cfc h LEU 105 N 0.00 -0.02 -1.59 1.33 5.85 -0.65 0.17 115.31 120.39 1cfc h LEU 105 Ca 0.16 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1cfc h LEU 105 Cb 0.72 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1cfc h LEU 105 CO -0.00 0.57 0.03 -0.09 -0.34 0.00 0.00 178.44 178.61 1cfc h ARG 106 N -0.63 0.29 -0.33 1.25 2.43 0.69 -1.49 114.38 116.58 1cfc h ARG 106 Ca -0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1cfc h ARG 106 Cb 0.59 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1cfc h ARG 106 CO 0.00 0.29 -0.19 1.25 -1.51 0.00 0.00 179.97 179.82 1cfc h HIS 107 N 0.29 0.82 -0.96 2.20 2.76 -0.24 -1.64 115.15 118.38 1cfc h HIS 107 Ca 0.07 -0.21 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1cfc h HIS 107 Cb 0.15 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 1cfc h HIS 107 CO 0.00 0.93 0.62 0.28 -1.30 0.00 0.00 177.93 178.47 1cfc h VAL 108 N 0.48 1.09 0.00 5.26 2.07 0.34 -1.50 116.25 123.99 1cfc h VAL 108 Ca 0.07 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1cfc h VAL 108 Cb 0.73 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1cfc h VAL 108 CO 0.05 0.21 -0.49 0.24 0.02 0.00 0.00 177.57 177.60 1cfc h MET 109 N 1.12 0.00 -0.12 1.57 2.86 -1.12 -3.17 114.93 116.08 1cfc h MET 109 Ca 0.41 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.86 1cfc h MET 109 Cb 0.16 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1cfc h MET 109 CO -0.15 0.49 -0.65 1.15 1.06 0.00 0.00 176.91 178.81 1cfc h THR 110 N 0.00 1.32 0.79 2.22 2.02 -0.30 0.56 112.91 119.51 1cfc h THR 110 Ca -0.00 -1.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.23 1cfc h THR 110 Cb 1.09 2.11 0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1cfc h THR 110 CO 0.06 0.59 -0.39 0.78 0.37 0.00 0.00 175.52 176.94 1cfc h ASN 111 N 0.32 -0.93 -0.00 4.18 2.35 -1.52 -1.54 115.58 118.44 1cfc h ASN 111 Ca -0.05 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1cfc h ASN 111 Cb 1.29 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.90 1cfc h ASN 111 CO 0.13 -0.65 0.01 -0.07 -1.65 0.00 0.00 177.43 175.20 1cfc h LEU 112 N -1.07 0.00 -5.15 1.61 3.38 -1.64 -3.41 115.31 109.02 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 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1cfc h LEU 112 CO 0.17 0.00 0.32 0.61 0.09 0.00 0.00 178.44 179.63 1cfc n GLY 113 N -1.10 0.00 0.08 0.83 0.00 0.19 -4.45 105.19 100.74 1cfc n GLY 113 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 2.26 0.48 -2.70 1.61 1.02 -1.26 -4.48 120.64 117.58 1cfc n GLU 114 Ca 0.00 0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 1cfc n GLU 114 Cb 0.16 -1.74 0.11 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.41 1.21 -3.93 3.49 5.02 -1.26 -5.12 118.16 115.15 1cfc n LYS 115 Ca 0.01 -1.91 -0.15 0.00 -2.02 0.00 0.00 58.31 54.24 1cfc n LYS 115 Cb 0.51 -0.12 -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 -3.25 1.64 0.16 -0.35 1.43 -1.26 -5.14 118.68 111.91 1cfc s LEU 116 Ca 0.22 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1cfc s LEU 116 Cb 0.41 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.46 1cfc s LEU 116 CO -0.08 -0.03 0.02 0.42 0.23 0.00 0.00 176.35 176.91 1cfc s THR 117 N 0.41 3.90 0.63 5.49 -4.23 -1.26 -4.95 115.64 115.63 1cfc s THR 117 Ca -0.04 -1.29 0.32 0.00 -1.18 0.00 0.00 61.69 59.49 1cfc s THR 117 Cb -0.06 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.18 1cfc s THR 117 CO -0.01 -0.07 2.04 0.44 -0.54 0.00 0.00 174.62 176.48 1cfc h ASP 118 N 2.77 0.00 -0.01 3.99 5.19 -2.01 -1.78 116.42 124.57 1cfc h ASP 118 Ca -0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 1cfc h ASP 118 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1cfc h ASP 118 CO 0.59 0.00 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.35 1cfc h GLU 119 N 0.00 0.03 -0.93 3.56 3.07 -2.00 -2.73 114.58 115.59 1cfc h GLU 119 Ca 0.06 -0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.01 1cfc h GLU 119 Cb 0.60 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 1cfc h GLU 119 CO -0.00 0.67 0.59 0.93 -1.40 0.00 0.00 179.01 179.81 1cfc h GLU 120 N -0.60 0.84 -0.58 2.33 5.08 -1.73 -0.53 114.58 119.39 1cfc h GLU 120 Ca -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1cfc h GLU 120 Cb 0.68 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1cfc h GLU 120 CO 0.01 0.56 0.17 0.28 -1.00 0.00 0.00 179.01 179.02 1cfc h VAL 121 N 0.87 1.24 -0.65 3.13 2.07 -1.51 -1.64 116.25 119.76 1cfc h VAL 121 Ca 0.45 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1cfc h VAL 121 Cb 0.52 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1cfc h VAL 121 CO -0.21 0.32 0.43 0.44 0.02 0.00 0.00 177.57 178.56 1cfc h ASP 122 N 0.83 0.54 -0.12 0.57 5.19 -0.78 0.31 116.42 122.96 1cfc h ASP 122 Ca 0.19 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.42 1cfc h ASP 122 Cb 0.31 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 1cfc h ASP 122 CO -0.00 0.34 -0.61 -0.33 -3.12 0.00 0.00 179.24 175.52 1cfc h GLU 123 N 0.61 0.72 -0.02 3.56 5.08 -0.90 -2.30 114.58 121.34 1cfc h GLU 123 Ca 0.29 -0.49 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1cfc h GLU 123 Cb 0.33 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1cfc h GLU 123 CO -0.09 1.11 -0.43 0.52 -1.00 0.00 0.00 179.01 179.13 1cfc h MET 124 N 0.54 0.03 0.00 2.33 2.86 -0.09 -2.41 114.93 118.19 1cfc h MET 124 Ca -0.00 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1cfc h MET 124 Cb 1.20 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1cfc h MET 124 CO 0.12 0.46 -0.44 0.82 1.06 0.00 0.00 176.91 178.93 1cfc h ILE 125 N 0.03 0.95 0.14 -1.22 2.04 -0.26 -2.63 117.51 116.56 1cfc h ILE 125 Ca -0.00 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 1cfc h ILE 125 Cb 0.77 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1cfc h ILE 125 CO 0.06 0.43 -0.07 0.03 0.00 0.00 0.00 178.15 178.60 1cfc h ARG 126 N 0.00 -0.19 0.00 2.37 2.47 -0.88 -2.96 114.38 115.19 1cfc h ARG 126 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1cfc h ARG 126 Cb 1.04 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1cfc h ARG 126 CO 0.06 0.00 0.00 0.93 0.56 0.00 0.00 179.97 181.52 1cfc h GLU 127 N -0.35 0.00 -4.74 0.04 4.39 -1.61 -3.38 114.58 108.94 1cfc h GLU 127 Ca -0.02 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.95 1cfc h GLU 127 Cb 0.28 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.74 1cfc h GLU 127 CO 0.03 0.00 1.04 0.00 -1.16 0.00 0.00 179.01 178.92 1cfc s ALA 128 N -3.16 3.81 -0.95 3.43 0.00 -0.99 -4.92 121.76 118.98 1cfc s ALA 128 Ca 0.09 -3.16 -0.09 0.00 0.00 0.00 0.00 51.96 48.80 1cfc s ALA 128 Cb 0.09 -4.03 -0.32 0.00 0.00 0.00 0.00 23.12 18.86 1cfc s ALA 128 CO 0.62 -2.79 2.05 -3.47 0.00 0.00 0.00 175.76 172.16 1cfc n ASP 129 N 5.73 -1.42 -4.18 0.00 2.03 -1.26 -4.81 116.55 112.65 1cfc n ASP 129 Ca 0.30 -0.54 -0.30 0.00 0.52 0.00 0.00 54.79 54.77 1cfc n ASP 129 Cb 0.45 -0.51 -0.17 0.00 -0.72 0.00 0.00 41.12 40.18 1cfc n ASP 129 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1cfc s ILE 130 N 0.00 1.86 0.00 5.18 1.01 -1.26 -5.04 121.20 122.94 1cfc s ILE 130 Ca 1.25 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1cfc s ILE 130 Cb -0.80 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1cfc s ILE 130 CO 0.54 0.51 0.00 -0.67 0.00 0.00 0.00 174.94 175.32 1cfc n ASP 131 N 3.55 0.00 -0.20 3.58 2.03 -1.26 -5.03 116.55 119.23 1cfc n ASP 131 Ca -0.20 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.13 1cfc n ASP 131 Cb 0.53 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.17 2.60 0.27 0.00 -1.26 -4.70 105.19 107.26 1cfc n GLY 132 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.14 1.26 -3.85 1.61 2.03 -1.26 -5.11 116.55 111.37 1cfc n ASP 133 Ca 0.03 -2.75 -0.08 0.00 0.52 0.00 0.00 54.79 52.51 1cfc n ASP 133 Cb 0.17 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.04 1cfc n ASP 133 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1cfc s GLY 134 N -2.97 0.32 0.22 0.27 0.00 -1.26 -5.18 107.32 98.72 1cfc s GLY 134 Ca 0.29 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.42 1cfc s GLY 134 CO 0.02 -0.42 -0.17 1.20 0.00 0.00 0.00 173.10 173.74 1cfc s GLN 135 N -3.84 1.41 0.01 2.90 -0.21 -1.26 -4.25 119.66 114.42 1cfc s GLN 135 Ca 0.18 -1.60 -0.04 0.00 0.02 0.00 0.00 55.36 53.91 1cfc s GLN 135 Cb -0.03 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.65 1cfc s GLN 135 CO 0.09 0.24 0.07 0.08 -2.12 0.00 0.00 175.29 173.64 1cfc s VAL 136 N -2.70 0.09 1.06 1.09 1.01 -0.89 -4.94 120.40 115.13 1cfc s VAL 136 Ca 0.23 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1cfc s VAL 136 Cb -0.03 -0.36 0.23 0.00 0.00 0.00 0.00 36.38 36.23 1cfc s VAL 136 CO 0.09 -0.43 1.22 0.21 0.00 0.00 0.00 175.10 176.19 1cfc s ASN 137 N -1.41 2.23 -0.10 3.32 3.84 -1.26 -3.11 114.94 118.44 1cfc s ASN 137 Ca -0.15 0.46 0.13 0.00 0.21 0.00 0.00 52.86 53.51 1cfc s ASN 137 Cb -0.09 -0.62 -0.19 0.00 -0.55 0.00 0.00 41.25 39.80 1cfc s ASN 137 CO 0.00 -3.30 0.14 0.00 -2.79 0.00 0.00 177.10 171.16 1cfc n TYR 138 N -4.18 0.00 -0.33 0.43 4.11 -1.26 -4.55 117.16 111.39 1cfc n TYR 138 Ca 0.14 0.00 0.29 0.00 -0.00 0.00 0.00 57.90 58.32 1cfc n TYR 138 Cb 0.59 -0.58 0.53 0.00 -0.00 0.00 0.00 39.34 39.88 1cfc n TYR 138 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1cfc h GLU 139 N 0.00 0.00 -0.25 -3.48 3.07 -1.95 1.43 114.58 113.41 1cfc h GLU 139 Ca -0.26 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.47 1cfc h GLU 139 Cb 1.48 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1cfc h GLU 139 CO 0.01 0.00 -0.38 0.93 -1.40 0.00 0.00 179.01 178.17 1cfc h GLU 140 N 0.00 0.70 0.00 2.33 3.07 -2.01 -2.98 114.58 115.69 1cfc h GLU 140 Ca 0.80 -0.42 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1cfc h GLU 140 Cb 2.04 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.99 1cfc h GLU 140 CO -0.80 1.04 -0.10 0.74 -1.40 0.00 0.00 179.01 178.49 1cfc h PHE 141 N 0.42 0.00 -0.06 4.33 0.04 0.12 -2.97 116.94 118.81 1cfc h PHE 141 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1cfc h PHE 141 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1cfc h PHE 141 CO 0.08 0.10 -0.11 0.28 -0.60 0.00 0.00 178.31 178.06 1cfc h VAL 142 N 0.00 1.41 0.00 -0.55 2.07 0.11 -2.53 116.25 116.76 1cfc h VAL 142 Ca -0.00 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.08 1cfc h VAL 142 Cb 0.81 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1cfc h VAL 142 CO 0.01 0.39 -0.20 1.56 0.02 0.00 0.00 177.57 179.35 1cfc h GLN 143 N -0.31 0.00 -0.17 1.57 1.08 -1.54 -2.64 115.11 113.11 1cfc h GLN 143 Ca 0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.01 1cfc h GLN 143 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1cfc h GLN 143 CO 0.02 0.20 -0.68 0.52 -0.95 0.00 0.00 178.83 177.94 1cfc h MET 144 N 0.00 0.67 0.00 1.46 2.86 -1.41 -2.97 114.93 115.54 1cfc h MET 144 Ca -0.00 -0.50 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1cfc h MET 144 Cb 0.44 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1cfc h MET 144 CO 0.03 1.12 -0.11 0.52 1.06 0.00 0.00 176.91 179.53 1cfc h MET 145 N 0.48 0.00 0.18 1.72 2.86 -1.08 -3.24 114.93 115.84 1cfc h MET 145 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1cfc h MET 145 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1cfc h MET 145 CO 0.13 0.11 -0.09 1.79 1.06 0.00 0.00 176.91 179.91 1cfc h THR 146 N 0.00 0.00 -0.00 2.22 1.35 -1.38 -3.48 112.91 111.62 1cfc h THR 146 Ca -0.00 -0.48 0.29 0.00 -0.55 0.00 0.00 66.41 65.66 1cfc h THR 146 Cb 0.51 0.00 -0.25 0.00 -1.73 0.00 0.00 68.15 66.68 1cfc h THR 146 CO 0.01 0.00 0.48 0.00 -0.25 0.00 0.00 175.52 175.76 1cfc s ALA 147 N -3.32 -3.64 -2.00 6.62 0.00 -1.14 -5.14 121.76 113.14 1cfc s ALA 147 Ca -0.04 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.56 1cfc s ALA 147 Cb 0.00 -2.47 0.62 0.00 0.00 0.00 0.00 23.12 21.28 1cfc s ALA 147 CO 0.11 -1.20 1.06 1.63 0.00 0.00 0.00 175.76 177.36