#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppx s LYS 2 N 0.00 2.34 0.38 0.03 2.36 -1.25 -5.02 119.74 118.58 1ppx s LYS 2 Ca 0.00 -1.62 -0.25 0.00 -2.55 0.00 0.00 55.97 51.56 1ppx s LYS 2 Cb 0.00 -3.66 -0.09 0.00 -1.05 0.00 0.00 37.83 33.03 1ppx s LYS 2 CO 0.00 -1.00 1.04 -1.59 1.55 0.00 0.00 175.35 175.35 1ppx s LYS 3 N 1.29 4.24 -0.10 4.03 0.00 -1.26 -3.61 119.74 124.33 1ppx s LYS 3 Ca 0.04 1.50 -0.05 0.00 0.00 0.00 0.00 55.97 57.47 1ppx s LYS 3 Cb -0.23 -2.61 0.05 0.00 0.00 0.00 0.00 37.83 35.04 1ppx s LYS 3 CO -0.01 -0.07 0.23 -0.48 0.00 0.00 0.00 175.35 175.02 1ppx s LEU 4 N -2.51 0.34 0.14 2.77 0.05 0.25 -4.92 118.68 114.81 1ppx s LEU 4 Ca 0.56 0.49 0.05 0.00 0.05 0.00 0.00 54.13 55.28 1ppx s LEU 4 Cb -0.22 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.54 1ppx s LEU 4 CO 0.28 -0.18 0.08 -1.10 -0.55 0.00 0.00 176.35 174.88 1ppx s GLN 5 N 1.44 2.76 -0.10 1.48 -0.21 -1.26 -0.50 119.66 123.27 1ppx s GLN 5 Ca -0.07 -0.87 -0.06 0.00 0.02 0.00 0.00 55.36 54.38 1ppx s GLN 5 Cb -0.11 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.35 1ppx s GLN 5 CO -0.08 0.50 0.24 0.42 -2.12 0.00 0.00 175.29 174.25 1ppx s ILE 6 N -1.62 -0.04 -0.12 1.08 1.09 0.47 -3.54 121.20 118.53 1ppx s ILE 6 Ca 0.29 0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 1ppx s ILE 6 Cb -0.11 -0.37 0.01 0.00 -1.06 0.00 0.00 42.46 40.94 1ppx s ILE 6 CO 0.22 0.05 -0.16 0.00 -0.10 0.00 0.00 174.94 174.95 1ppx s ALA 7 N 1.10 1.81 0.30 9.38 0.00 -1.07 -0.13 121.76 133.14 1ppx s ALA 7 Ca -0.08 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1ppx s ALA 7 Cb -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 1ppx s ALA 7 CO -0.07 -0.10 -0.14 0.14 0.00 0.00 0.00 175.76 175.58 1ppx s VAL 8 N 1.01 2.23 -0.22 0.00 -7.23 0.28 -3.84 120.40 112.64 1ppx s VAL 8 Ca -0.05 -2.29 -0.04 0.00 -1.81 0.00 0.00 61.98 57.79 1ppx s VAL 8 Cb -0.15 -2.41 0.12 0.00 0.56 0.00 0.00 36.38 34.50 1ppx s VAL 8 CO -0.03 -0.34 0.38 -0.83 -0.31 0.00 0.00 175.10 173.98 1ppx s GLY 9 N -3.52 -0.38 -0.47 2.32 0.00 -1.22 0.93 107.32 104.98 1ppx s GLY 9 Ca 0.30 1.07 -0.28 0.00 0.00 0.00 0.00 44.72 45.82 1ppx s GLY 9 CO 0.14 2.55 1.70 -0.42 0.00 0.00 0.00 173.10 177.08 1ppx s ILE 10 N 2.56 3.54 -0.06 0.90 -1.09 -1.02 -4.69 121.20 121.34 1ppx s ILE 10 Ca 0.08 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1ppx s ILE 10 Cb -0.14 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1ppx s ILE 10 CO -0.15 -0.75 1.43 -0.63 -1.23 0.00 0.00 174.94 173.62 1ppx s ILE 11 N 7.29 3.85 -0.16 2.92 1.01 -1.26 -2.77 121.20 132.07 1ppx s ILE 11 Ca 0.69 1.12 -0.17 0.00 0.00 0.00 0.00 60.65 62.28 1ppx s ILE 11 Cb -0.16 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ppx s ILE 11 CO 0.28 -0.06 0.43 -0.60 0.00 0.00 0.00 174.94 174.99 1ppx s ARG 12 N 3.19 4.26 0.23 2.79 6.06 -1.25 -2.18 118.95 132.05 1ppx s ARG 12 Ca 0.64 0.32 -0.04 0.00 -2.50 0.00 0.00 55.73 54.15 1ppx s ARG 12 Cb -0.29 -3.48 0.06 0.00 0.06 0.00 0.00 34.95 31.29 1ppx s ARG 12 CO 0.24 0.06 0.26 -1.71 -2.50 0.00 0.00 175.30 171.65 1ppx n ASN 13 N 4.07 -0.56 0.27 -2.12 5.15 0.41 -3.39 115.26 119.08 1ppx n ASN 13 Ca -0.08 -0.89 0.18 0.00 -0.60 0.00 0.00 54.58 53.19 1ppx n ASN 13 Cb 0.51 -0.22 0.96 0.00 -0.53 0.00 0.00 39.78 40.51 1ppx n ASN 13 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1ppx h GLU 14 N 0.00 0.00 0.00 1.20 4.81 -1.88 -3.39 114.58 115.33 1ppx h GLU 14 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ppx h GLU 14 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ppx h GLU 14 CO 0.06 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.63 1ppx n ASN 15 N -2.73 0.00 -0.30 1.04 5.15 -1.26 -5.04 115.26 112.11 1ppx n ASN 15 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1ppx n ASN 15 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1ppx n ASN 16 N -0.76 0.00 -4.92 1.20 0.23 -1.26 -5.13 115.26 104.62 1ppx n ASN 16 Ca 0.00 -1.04 -0.26 0.00 -0.53 0.00 0.00 54.58 52.75 1ppx n ASN 16 Cb 0.00 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 37.66 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1ppx s GLU 17 N 0.00 3.35 0.03 -3.83 1.03 -1.26 -4.02 118.70 114.01 1ppx s GLU 17 Ca 0.00 -0.65 0.07 0.00 0.03 0.00 0.00 54.97 54.42 1ppx s GLU 17 Cb 0.00 -2.91 -0.02 0.00 -0.80 0.00 0.00 34.13 30.39 1ppx s GLU 17 CO 0.00 0.51 -0.21 -1.50 -1.33 0.00 0.00 175.26 172.73 1ppx s ILE 18 N -1.75 1.68 -0.98 1.83 -1.16 0.39 0.15 121.20 121.36 1ppx s ILE 18 Ca 0.34 -1.16 -0.21 0.00 -0.51 0.00 0.00 60.65 59.10 1ppx s ILE 18 Cb -0.11 -1.45 0.08 0.00 0.61 0.00 0.00 42.46 41.59 1ppx s ILE 18 CO 0.28 0.25 1.32 0.12 -2.81 0.00 0.00 174.94 174.10 1ppx s PHE 19 N -0.75 2.75 0.28 3.50 2.19 -0.93 -1.81 117.98 123.22 1ppx s PHE 19 Ca 0.08 -1.04 0.07 0.00 0.33 0.00 0.00 56.93 56.37 1ppx s PHE 19 Cb -0.09 -4.54 -0.03 0.00 -1.31 0.00 0.00 43.02 37.05 1ppx s PHE 19 CO 0.01 -1.77 0.28 0.96 1.83 0.00 0.00 175.22 176.53 1ppx s ILE 20 N 4.11 4.26 -0.33 3.12 -4.36 -1.23 -4.57 121.20 122.20 1ppx s ILE 20 Ca 0.41 -1.29 -0.21 0.00 -0.26 0.00 0.00 60.65 59.30 1ppx s ILE 20 Cb -0.02 -3.41 -0.00 0.00 1.25 0.00 0.00 42.46 40.28 1ppx s ILE 20 CO -0.09 -0.27 0.66 0.42 0.24 0.00 0.00 174.94 175.89 1ppx s THR 21 N -2.17 4.88 -0.19 8.37 -4.23 0.41 -3.21 115.64 119.51 1ppx s THR 21 Ca 0.37 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.68 1ppx s THR 21 Cb -0.08 -4.06 0.02 0.00 1.34 0.00 0.00 72.50 69.72 1ppx s THR 21 CO 0.27 -0.25 -0.19 -0.60 -0.54 0.00 0.00 174.62 173.31 1ppx s ARG 22 N 2.73 2.96 2.83 3.99 3.52 -1.24 -0.29 118.95 133.46 1ppx s ARG 22 Ca 0.26 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1ppx s ARG 22 Cb -0.14 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1ppx s ARG 22 CO 0.13 -0.23 0.00 -2.13 -0.81 0.00 0.00 175.30 172.27 1ppx n ARG 23 N 4.62 0.00 0.00 5.12 0.63 -1.25 -4.69 116.66 121.08 1ppx n ARG 23 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1ppx n ARG 23 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ppx n ALA 24 N 8.03 0.00 0.10 5.13 0.00 -1.26 -4.90 120.51 127.61 1ppx n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx n ALA 25 N 0.00 0.00 -3.09 0.00 0.00 -1.26 -4.71 120.51 111.45 1ppx n ALA 25 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ppx n ALA 25 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ppx n ALA 25 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ppx s ASP 26 N -2.00 -1.18 0.00 0.00 -4.77 -1.26 -5.16 116.67 102.30 1ppx s ASP 26 Ca 0.00 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 1ppx s ASP 26 Cb 0.00 1.55 0.00 0.00 -1.09 0.00 0.00 42.92 43.38 1ppx s ASP 26 CO 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 175.17 175.72 1ppx n ALA 27 N 4.45 0.00 -2.19 2.11 0.00 -1.26 -5.05 120.51 118.58 1ppx n ALA 27 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1ppx n ALA 27 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 1ppx n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ppx n HIS 28 N 0.00 2.89 -2.48 0.00 -0.00 -1.26 -4.51 115.22 109.86 1ppx n HIS 28 Ca 0.00 -2.41 -0.06 0.00 0.46 0.00 0.00 57.72 55.71 1ppx n HIS 28 Cb 0.00 -1.20 0.05 0.00 -0.12 0.00 0.00 29.99 28.72 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1ppx n MET 29 N -0.34 2.06 0.30 1.57 2.81 -1.26 -4.84 117.12 117.42 1ppx n MET 29 Ca 0.51 -3.51 0.20 0.00 -1.81 0.00 0.00 57.70 53.10 1ppx n MET 29 Cb 0.24 -1.61 1.04 0.00 -0.71 0.00 0.00 33.22 32.19 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx h ALA 30 N 2.18 1.00 -0.80 3.04 0.00 -1.93 -1.61 119.26 121.14 1ppx h ALA 30 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1ppx h ALA 30 Cb 1.41 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.95 1ppx h ALA 30 CO 0.33 0.00 0.55 0.09 0.00 0.00 0.00 179.25 180.22 1ppx n ASN 31 N -2.93 4.05 -1.13 0.00 4.13 -1.25 -4.27 115.26 113.86 1ppx n ASN 31 Ca -0.02 -3.32 -0.01 0.00 1.68 0.00 0.00 54.58 52.91 1ppx n ASN 31 Cb 0.10 -0.80 0.22 0.00 -1.54 0.00 0.00 39.78 37.75 1ppx n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ppx n LYS 32 N -0.78 2.25 -0.78 3.52 3.00 -0.61 -3.79 118.16 120.98 1ppx n LYS 32 Ca 0.48 -3.05 -0.28 0.00 -0.00 0.00 0.00 58.31 55.46 1ppx n LYS 32 Cb 1.34 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 34.49 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1ppx n LEU 33 N -0.91 3.90 0.00 3.14 7.94 0.13 -3.97 117.00 127.23 1ppx n LEU 33 Ca 0.31 -2.61 -0.19 0.00 -1.11 0.00 0.00 56.01 52.41 1ppx n LEU 33 Cb 1.03 -1.00 0.02 0.00 0.53 0.00 0.00 43.42 43.99 1ppx n LEU 33 CO 0.20 -0.05 0.13 1.21 -1.11 0.00 0.00 177.39 177.77 1ppx n GLU 34 N 5.43 0.80 -4.49 1.96 0.00 0.60 -4.32 120.64 120.61 1ppx n GLU 34 Ca 0.41 -2.64 -0.25 0.00 0.00 0.00 0.00 57.16 54.69 1ppx n GLU 34 Cb 0.22 0.14 -0.10 0.00 0.00 0.00 0.00 31.44 31.71 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ppx s PHE 35 N -2.06 2.38 1.13 4.31 -0.12 -1.26 0.15 117.98 122.52 1ppx s PHE 35 Ca 0.32 -0.42 -0.12 0.00 -0.05 0.00 0.00 56.93 56.65 1ppx s PHE 35 Cb -0.03 -1.23 0.27 0.00 -0.63 0.00 0.00 43.02 41.40 1ppx s PHE 35 CO 0.20 0.63 1.04 -1.25 -0.05 0.00 0.00 175.22 175.80 1ppx s PRO 36 N -3.58 -0.69 0.00 1.99 0.04 -1.26 -4.78 135.00 126.72 1ppx s PRO 36 Ca 0.32 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1ppx s PRO 36 Cb -0.01 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1ppx s PRO 36 CO 0.16 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 174.01 1ppx n GLY 37 N 0.73 0.82 2.91 0.56 0.00 -1.25 -3.37 105.19 105.59 1ppx n GLY 37 Ca 0.04 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1ppx n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppx s GLY 38 N -1.69 0.80 0.00 -0.02 0.00 -1.25 -2.59 107.32 102.57 1ppx s GLY 38 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1ppx s GLY 38 CO 0.00 0.73 0.00 1.17 0.00 0.00 0.00 173.10 175.00 1ppx n LYS 39 N 4.79 0.00 0.03 2.90 4.81 -1.26 -4.98 118.16 124.45 1ppx n LYS 39 Ca -0.14 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.51 1ppx n LYS 39 Cb 0.50 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.28 1ppx n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1ppx h ILE 40 N 0.00 0.55 0.00 3.15 3.07 -1.82 -3.14 117.51 119.32 1ppx h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1ppx h ILE 40 Cb 0.00 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1ppx h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1ppx n GLU 41 N -4.06 0.00 0.00 0.16 0.28 -1.23 -4.11 120.64 111.68 1ppx n GLU 41 Ca 0.09 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1ppx n GLU 41 Cb 0.63 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.51 1ppx n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1ppx n MET 42 N -0.83 0.00 -0.80 3.44 2.81 -1.19 -1.99 117.12 118.56 1ppx n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1ppx n MET 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1ppx n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ppx n GLY 43 N 0.00 0.07 2.65 3.03 0.00 -1.26 -5.14 105.19 104.54 1ppx n GLY 43 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ppx n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ppx n GLU 44 N -0.01 0.21 -4.21 1.61 4.71 -0.84 -5.09 120.64 117.02 1ppx n GLU 44 Ca -0.16 -1.89 -0.23 0.00 -0.01 0.00 0.00 57.16 54.87 1ppx n GLU 44 Cb 0.51 -0.41 -0.06 0.00 -1.01 0.00 0.00 31.44 30.47 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ppx s THR 45 N -1.94 3.89 0.61 2.62 2.01 -1.26 -4.80 115.64 116.77 1ppx s THR 45 Ca 0.45 -1.62 0.25 0.00 0.31 0.00 0.00 61.69 61.08 1ppx s THR 45 Cb -0.03 -3.06 0.35 0.00 0.01 0.00 0.00 72.50 69.77 1ppx s THR 45 CO 0.29 -0.31 1.45 1.55 -0.69 0.00 0.00 174.62 176.91 1ppx h PRO 46 N 1.90 0.00 0.00 4.92 0.13 -1.98 1.30 132.00 138.27 1ppx h PRO 46 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ppx h PRO 46 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ppx h PRO 46 CO 0.60 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.84 1ppx h GLU 47 N 0.00 0.00 -0.00 0.86 3.07 -2.03 -3.40 114.58 113.08 1ppx h GLU 47 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1ppx h GLU 47 Cb 2.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.22 1ppx h GLU 47 CO -0.00 0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 177.59 1ppx n GLN 48 N -4.48 0.54 0.25 2.33 10.64 -0.77 -3.49 117.38 122.39 1ppx n GLN 48 Ca -0.07 -0.03 -0.15 0.00 -1.83 0.00 0.00 57.00 54.92 1ppx n GLN 48 Cb 0.24 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.04 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ppx h ALA 49 N 3.53 -0.61 0.07 2.61 0.00 0.14 -0.42 119.26 124.57 1ppx h ALA 49 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1ppx h ALA 49 Cb 0.26 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ppx h ALA 49 CO 0.00 -0.77 -0.59 -0.39 0.00 0.00 0.00 179.25 177.50 1ppx h VAL 50 N -0.77 1.52 -0.82 0.00 -1.51 -1.78 -2.37 116.25 110.51 1ppx h VAL 50 Ca -0.06 -2.31 0.11 0.00 -1.23 0.00 0.00 66.70 63.21 1ppx h VAL 50 Cb 0.54 2.99 -0.06 0.00 -2.13 0.00 0.00 31.29 32.64 1ppx h VAL 50 CO 0.10 0.65 0.54 0.58 -1.23 0.00 0.00 177.57 178.21 1ppx h VAL 51 N -0.38 0.91 0.01 7.19 2.07 -1.65 1.02 116.25 125.43 1ppx h VAL 51 Ca -0.09 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1ppx h VAL 51 Cb 1.40 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ppx h VAL 51 CO 0.11 0.13 -0.12 -0.09 0.02 0.00 0.00 177.57 177.63 1ppx h ARG 52 N 0.72 0.06 0.00 1.57 9.65 -1.15 -3.30 114.38 121.92 1ppx h ARG 52 Ca 0.39 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 59.17 1ppx h ARG 52 Cb 0.54 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1ppx h ARG 52 CO -0.16 0.96 -0.11 1.49 2.80 0.00 0.00 179.97 184.96 1ppx h GLU 53 N -0.81 0.00 -0.59 0.20 4.57 -1.04 -3.02 114.58 113.89 1ppx h GLU 53 Ca -0.02 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1ppx h GLU 53 Cb 1.02 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.55 1ppx h GLU 53 CO 0.02 0.11 0.30 -0.07 -1.18 0.00 0.00 179.01 178.19 1ppx h LEU 54 N 0.00 0.42 -2.09 1.64 4.07 0.10 0.33 115.31 119.78 1ppx h LEU 54 Ca -0.00 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1ppx h LEU 54 Cb 0.50 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 1ppx h LEU 54 CO 0.01 0.28 -0.06 1.56 -1.08 0.00 0.00 178.44 179.15 1ppx h GLN 55 N 0.56 0.00 0.01 1.13 7.50 -1.66 0.80 115.11 123.44 1ppx h GLN 55 Ca 0.27 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 59.23 1ppx h GLN 55 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 1ppx h GLN 55 CO -0.19 0.06 -0.89 1.49 -1.50 0.00 0.00 178.83 177.80 1ppx h GLU 56 N 0.00 0.04 -0.24 1.46 4.22 -0.58 -0.13 114.58 119.35 1ppx h GLU 56 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1ppx h GLU 56 Cb 0.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ppx h GLU 56 CO 0.01 0.90 0.00 -1.91 -2.18 0.00 0.00 179.01 175.83 1ppx n GLU 57 N -3.52 1.99 0.00 1.92 4.07 0.25 0.18 120.64 125.53 1ppx n GLU 57 Ca -0.01 -1.78 0.00 0.00 -0.06 0.00 0.00 57.16 55.31 1ppx n GLU 57 Cb 0.84 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ppx n VAL 58 N 0.71 0.00 -0.66 6.31 0.31 0.26 -3.92 118.33 121.34 1ppx n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ppx n VAL 58 Cb 0.40 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 59 N 2.04 0.00 1.15 2.92 0.00 -0.06 0.36 105.19 111.59 1ppx n GLY 59 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ppx n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppx n ILE 60 N -1.49 0.00 -3.77 -0.61 -5.35 -1.26 -4.81 119.36 102.08 1ppx n ILE 60 Ca 0.00 -0.71 -0.34 0.00 -0.27 0.00 0.00 62.75 61.43 1ppx n ILE 60 Cb 0.27 -0.08 -0.10 0.00 -1.74 0.00 0.00 39.64 37.99 1ppx n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1ppx s THR 61 N -1.23 3.51 -0.00 7.28 -4.23 -1.26 -4.96 115.64 114.75 1ppx s THR 61 Ca 0.04 -3.33 0.05 0.00 -1.18 0.00 0.00 61.69 57.27 1ppx s THR 61 Cb -0.00 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1ppx s THR 61 CO 0.03 -0.91 -0.14 -2.16 -0.54 0.00 0.00 174.62 170.90 1ppx s PRO 62 N -0.48 2.37 -1.25 3.99 0.04 -1.26 -3.03 135.00 135.38 1ppx s PRO 62 Ca 0.20 -0.80 -0.20 0.00 0.04 0.00 0.00 61.00 60.23 1ppx s PRO 62 Cb -0.18 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1ppx s PRO 62 CO -0.05 0.59 1.84 1.04 0.04 0.00 0.00 177.00 180.45 1ppx n GLN 63 N 1.85 2.40 -5.11 4.56 6.02 -0.11 -4.84 117.38 122.15 1ppx n GLN 63 Ca -0.16 -2.87 -0.32 0.00 -0.01 0.00 0.00 57.00 53.63 1ppx n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 1ppx n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ppx s HIS 64 N 7.64 2.56 0.00 1.08 2.46 -1.23 -0.15 115.29 127.64 1ppx s HIS 64 Ca 0.61 -1.09 0.00 0.00 0.47 0.00 0.00 55.06 55.05 1ppx s HIS 64 Cb 0.02 -1.72 0.00 0.00 -0.13 0.00 0.00 32.58 30.75 1ppx s HIS 64 CO 0.11 -0.45 0.00 0.34 -2.47 0.00 0.00 174.74 172.27 1ppx n PHE 65 N 3.62 0.00 -1.33 3.88 7.35 -1.25 -4.95 117.46 124.78 1ppx n PHE 65 Ca -0.19 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.65 1ppx n PHE 65 Cb 0.53 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.27 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ppx n SER 66 N 0.00 -6.77 -4.04 -2.13 7.64 -1.24 -2.44 113.62 104.65 1ppx n SER 66 Ca 0.00 1.28 -0.31 0.00 1.01 0.00 0.00 58.87 60.84 1ppx n SER 66 Cb 0.00 -4.55 -0.16 0.00 -1.01 0.00 0.00 64.21 58.50 1ppx n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ppx s LEU 67 N -6.95 2.75 -0.07 -3.43 0.20 -1.26 -0.60 118.68 109.31 1ppx s LEU 67 Ca 0.00 -1.09 -0.26 0.00 0.69 0.00 0.00 54.13 53.47 1ppx s LEU 67 Cb 0.00 -1.39 -0.24 0.00 -0.43 0.00 0.00 46.19 44.13 1ppx s LEU 67 CO 0.00 -0.15 0.98 0.15 -0.29 0.00 0.00 176.35 177.04 1ppx h PHE 68 N 7.89 0.18 -1.86 5.38 3.04 -1.44 -3.43 116.94 126.70 1ppx h PHE 68 Ca -0.26 -0.10 0.23 0.00 3.98 0.00 0.00 57.97 61.82 1ppx h PHE 68 Cb 1.08 -0.02 -0.13 0.00 2.56 0.00 0.00 35.95 39.44 1ppx h PHE 68 CO 0.55 0.92 0.67 -2.00 -2.02 0.00 0.00 178.31 176.43 1ppx s GLU 69 N -2.98 0.69 -0.06 1.11 2.12 -0.18 -5.00 118.70 114.40 1ppx s GLU 69 Ca -0.17 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 1ppx s GLU 69 Cb -0.00 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.68 1ppx s GLU 69 CO 0.73 -0.31 0.14 -1.59 -0.54 0.00 0.00 175.26 173.68 1ppx s LYS 70 N -2.80 0.10 -0.20 4.30 0.00 -1.26 0.11 119.74 119.98 1ppx s LYS 70 Ca 0.11 0.32 -0.03 0.00 0.00 0.00 0.00 55.97 56.38 1ppx s LYS 70 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 37.83 37.70 1ppx s LYS 70 CO -0.03 -0.14 -0.08 -1.17 0.00 0.00 0.00 175.35 173.93 1ppx s LEU 71 N 0.95 2.72 -0.27 2.77 2.96 0.15 -4.95 118.68 123.01 1ppx s LEU 71 Ca -0.07 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1ppx s LEU 71 Cb -0.09 -1.67 0.06 0.00 0.50 0.00 0.00 46.19 44.98 1ppx s LEU 71 CO -0.05 -0.00 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.20 1ppx s GLU 72 N 1.35 2.28 0.01 1.98 2.12 -1.26 -1.03 118.70 124.15 1ppx s GLU 72 Ca 0.04 -1.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 1ppx s GLU 72 Cb -0.14 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1ppx s GLU 72 CO -0.05 -0.58 0.01 -0.47 -0.54 0.00 0.00 175.26 173.63 1ppx s TYR 73 N 1.14 0.13 -0.17 5.30 5.04 -1.12 -5.06 117.35 122.61 1ppx s TYR 73 Ca -0.08 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.29 1ppx s TYR 73 Cb -0.20 -0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.03 1ppx s TYR 73 CO -0.04 -0.14 -0.19 -1.83 -1.34 0.00 0.00 175.55 172.01 1ppx s GLU 74 N -0.93 2.82 0.85 4.97 -1.05 -1.26 -1.74 118.70 122.35 1ppx s GLU 74 Ca -0.10 -0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 53.85 1ppx s GLU 74 Cb -0.06 -2.45 0.10 0.00 -0.44 0.00 0.00 34.13 31.28 1ppx s GLU 74 CO -0.00 -0.21 1.09 -0.06 0.95 0.00 0.00 175.26 177.03 1ppx s PHE 75 N 1.33 2.43 -0.73 4.83 0.40 0.37 -4.78 117.98 121.83 1ppx s PHE 75 Ca 0.05 1.36 -0.17 0.00 -0.60 0.00 0.00 56.93 57.57 1ppx s PHE 75 Cb -0.13 -3.12 -0.17 0.00 0.51 0.00 0.00 43.02 40.11 1ppx s PHE 75 CO -0.12 -2.15 1.91 -0.35 0.70 0.00 0.00 175.22 175.20 1ppx n PRO 76 N -3.74 0.16 -0.22 0.24 -0.04 -1.26 0.13 135.00 130.28 1ppx n PRO 76 Ca 0.08 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1ppx n PRO 76 Cb 0.54 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ppx n ASP 77 N 13.56 -0.66 -4.04 3.54 8.00 -1.26 -5.08 116.55 130.60 1ppx n ASP 77 Ca 0.36 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 1ppx n ASP 77 Cb 0.42 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.29 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ppx s ARG 78 N -0.61 0.46 -0.42 -1.24 3.52 0.36 -3.80 118.95 117.22 1ppx s ARG 78 Ca 0.00 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 1ppx s ARG 78 Cb 0.00 -0.15 0.12 0.00 -1.56 0.00 0.00 34.95 33.36 1ppx s ARG 78 CO 0.00 0.01 0.17 -1.58 -0.81 0.00 0.00 175.30 173.10 1ppx s HIS 79 N -1.45 2.72 -0.30 5.12 5.65 -1.24 0.14 115.29 125.93 1ppx s HIS 79 Ca -0.12 -2.67 -0.13 0.00 0.25 0.00 0.00 55.06 52.40 1ppx s HIS 79 Cb -0.10 -2.38 -0.03 0.00 -1.18 0.00 0.00 32.58 28.88 1ppx s HIS 79 CO -0.00 -0.83 0.25 -1.50 -0.65 0.00 0.00 174.74 172.01 1ppx s ILE 80 N 0.51 5.27 -0.17 0.89 2.07 -0.71 0.87 121.20 129.93 1ppx s ILE 80 Ca 0.14 0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 1ppx s ILE 80 Cb -0.22 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 1ppx s ILE 80 CO -0.06 0.13 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.15 1ppx s THR 81 N 1.83 3.56 -0.19 4.00 2.01 0.35 -2.80 115.64 124.40 1ppx s THR 81 Ca 0.09 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1ppx s THR 81 Cb -0.16 -2.57 0.04 0.00 0.01 0.00 0.00 72.50 69.82 1ppx s THR 81 CO 0.11 0.48 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.68 1ppx s LEU 82 N 0.68 2.02 -0.22 4.42 1.43 -0.20 0.18 118.68 126.99 1ppx s LEU 82 Ca -0.03 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.19 1ppx s LEU 82 Cb -0.15 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1ppx s LEU 82 CO 0.02 -0.16 0.05 0.26 0.23 0.00 0.00 176.35 176.75 1ppx s TRP 83 N 1.49 3.10 -0.33 0.29 0.51 0.81 0.30 118.94 125.11 1ppx s TRP 83 Ca -0.01 -0.34 -0.13 0.00 -2.12 0.00 0.00 56.10 53.51 1ppx s TRP 83 Cb -0.16 -2.17 -0.02 0.00 -0.81 0.00 0.00 33.47 30.31 1ppx s TRP 83 CO -0.08 -0.24 0.25 -0.06 -0.51 0.00 0.00 176.95 176.31 1ppx s PHE 84 N 1.23 3.23 0.05 -1.98 0.40 0.30 0.10 117.98 121.31 1ppx s PHE 84 Ca 0.04 -0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1ppx s PHE 84 Cb -0.14 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1ppx s PHE 84 CO 0.03 -0.34 0.19 -1.58 0.70 0.00 0.00 175.22 174.22 1ppx s TRP 85 N 1.76 3.49 -0.47 0.36 0.52 0.26 -1.02 118.94 123.84 1ppx s TRP 85 Ca 0.07 0.25 -0.13 0.00 0.02 0.00 0.00 56.10 56.31 1ppx s TRP 85 Cb -0.17 -1.76 0.09 0.00 -1.15 0.00 0.00 33.47 30.48 1ppx s TRP 85 CO 0.11 0.59 0.37 -1.17 0.02 0.00 0.00 176.95 176.87 1ppx s LEU 86 N -2.38 5.62 0.33 2.99 1.98 0.23 -2.42 118.68 125.04 1ppx s LEU 86 Ca 0.33 -1.57 -0.24 0.00 -2.89 0.00 0.00 54.13 49.76 1ppx s LEU 86 Cb -0.13 -2.10 -0.10 0.00 0.66 0.00 0.00 46.19 44.52 1ppx s LEU 86 CO 0.25 -0.67 0.91 -0.69 -1.89 0.00 0.00 176.35 174.26 1ppx s VAL 87 N 1.52 4.32 -0.01 1.68 1.01 -1.11 -3.68 120.40 124.13 1ppx s VAL 87 Ca 0.04 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1ppx s VAL 87 Cb -0.25 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1ppx s VAL 87 CO 0.03 0.03 0.01 -1.84 0.00 0.00 0.00 175.10 173.34 1ppx n GLU 88 N 0.28 3.76 -3.50 2.72 0.00 -1.05 -3.81 120.64 119.05 1ppx n GLU 88 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.05 1ppx n GLU 88 Cb 0.51 -0.74 -0.04 0.00 0.00 0.00 0.00 31.44 31.17 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1ppx s ARG 89 N -1.49 1.00 -0.27 3.44 6.06 0.79 -4.73 118.95 123.75 1ppx s ARG 89 Ca 0.00 -0.08 -0.09 0.00 -2.50 0.00 0.00 55.73 53.05 1ppx s ARG 89 Cb 0.00 0.47 0.12 0.00 0.06 0.00 0.00 34.95 35.59 1ppx s ARG 89 CO 0.02 -0.38 0.58 1.67 -2.50 0.00 0.00 175.30 174.69 1ppx s TRP 90 N -2.31 -1.17 0.34 5.12 -2.14 -1.23 -0.93 118.94 116.63 1ppx s TRP 90 Ca -0.03 2.08 -0.26 0.00 2.66 0.00 0.00 56.10 60.55 1ppx s TRP 90 Cb -0.01 0.65 -0.09 0.00 -3.10 0.00 0.00 33.47 30.92 1ppx s TRP 90 CO -0.02 -0.60 1.00 -2.00 -2.66 0.00 0.00 176.95 172.67 1ppx s GLU 91 N 2.75 4.45 7.92 3.25 -6.30 -1.17 -4.80 118.70 124.81 1ppx s GLU 91 Ca -0.05 1.45 0.00 0.00 -2.50 0.00 0.00 54.97 53.88 1ppx s GLU 91 Cb -0.12 -2.77 0.00 0.00 0.00 0.00 0.00 34.13 31.24 1ppx s GLU 91 CO -0.17 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1ppx n GLY 92 N 0.59 4.04 3.01 -1.50 0.00 -1.26 -4.54 105.19 105.52 1ppx n GLY 92 Ca 0.03 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1ppx n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ppx s GLU 93 N 0.00 0.53 0.02 1.61 2.02 -1.26 -5.11 118.70 116.51 1ppx s GLU 93 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1ppx s GLU 93 Cb 0.00 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.72 1ppx s GLU 93 CO 0.00 0.12 1.15 -2.14 0.02 0.00 0.00 175.26 174.40 1ppx s PRO 94 N -0.60 4.44 0.19 0.39 0.02 -1.26 -4.71 135.00 133.47 1ppx s PRO 94 Ca -0.01 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1ppx s PRO 94 Cb -0.05 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1ppx s PRO 94 CO 0.00 -0.26 0.00 -2.67 -0.33 0.00 0.00 177.00 173.74 1ppx n TRP 95 N 4.24 -1.27 0.00 6.54 4.27 0.16 -4.94 117.44 126.44 1ppx n TRP 95 Ca 0.09 0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.92 1ppx n TRP 95 Cb 0.47 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.71 1ppx n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ppx n GLY 96 N 2.52 0.53 0.00 -1.67 0.00 -0.31 -3.56 105.19 102.70 1ppx n GLY 96 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ppx n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ppx n LYS 97 N 0.00 0.00 -0.30 1.61 4.81 0.48 -4.72 118.16 120.04 1ppx n LYS 97 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1ppx n LYS 97 Cb 0.00 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.36 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1ppx h GLU 98 N 0.00 0.83 0.00 1.64 4.11 -1.73 -3.46 114.58 115.96 1ppx h GLU 98 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ppx h GLU 98 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ppx h GLU 98 CO 0.00 0.55 0.00 0.41 0.07 0.00 0.00 179.01 180.04 1ppx n GLY 99 N -1.40 0.55 2.52 1.06 0.00 -1.26 -5.03 105.19 101.63 1ppx n GLY 99 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ppx n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppx s GLN 100 N -0.91 0.30 0.32 1.61 0.74 -1.26 -5.08 119.66 115.38 1ppx s GLN 100 Ca 0.00 -0.76 -0.25 0.00 0.05 0.00 0.00 55.36 54.40 1ppx s GLN 100 Cb 0.00 -1.19 -0.15 0.00 1.10 0.00 0.00 33.01 32.77 1ppx s GLN 100 CO 0.00 -1.08 0.52 -2.30 -0.55 0.00 0.00 175.29 171.89 1ppx n PRO 101 N 4.89 0.40 -4.40 1.67 -0.02 -1.26 -4.52 135.00 131.75 1ppx n PRO 101 Ca -0.01 0.14 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 1ppx n PRO 101 Cb 0.41 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1ppx n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ppx s GLY 102 N -0.91 2.38 0.05 -1.23 0.00 -1.26 -3.61 107.32 102.74 1ppx s GLY 102 Ca 0.62 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 1ppx s GLY 102 CO 0.59 -1.67 0.06 1.85 0.00 0.00 0.00 173.10 173.93 1ppx s GLU 103 N -3.67 0.63 -0.52 2.90 2.12 -1.20 -4.92 118.70 114.04 1ppx s GLU 103 Ca 0.32 -0.95 -0.28 0.00 0.36 0.00 0.00 54.97 54.42 1ppx s GLU 103 Cb 0.03 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1ppx s GLU 103 CO 0.19 -0.15 1.50 -1.58 -0.54 0.00 0.00 175.26 174.67 1ppx s TRP 104 N -3.25 2.19 0.31 5.30 0.51 -1.26 -3.51 118.94 119.24 1ppx s TRP 104 Ca 0.01 0.55 0.10 0.00 -2.12 0.00 0.00 56.10 54.64 1ppx s TRP 104 Cb 0.03 -4.32 -0.06 0.00 -0.81 0.00 0.00 33.47 28.30 1ppx s TRP 104 CO -0.08 -2.10 -0.13 0.00 -0.51 0.00 0.00 176.95 174.13 1ppx s MET 105 N 5.58 1.73 -0.33 4.98 0.23 -0.75 -4.77 119.30 125.97 1ppx s MET 105 Ca 0.58 -1.86 -0.29 0.00 -1.03 0.00 0.00 55.69 53.09 1ppx s MET 105 Cb -0.12 -1.66 0.01 0.00 -1.53 0.00 0.00 34.83 31.53 1ppx s MET 105 CO 0.27 0.19 1.19 -1.54 -2.03 0.00 0.00 175.02 173.10 1ppx s SER 106 N -3.55 6.76 0.49 -1.18 1.04 -1.26 0.15 113.70 116.15 1ppx s SER 106 Ca 0.31 1.04 0.32 0.00 0.48 0.00 0.00 55.95 58.09 1ppx s SER 106 Cb 0.00 -2.54 1.28 0.00 0.10 0.00 0.00 66.02 64.85 1ppx s SER 106 CO 0.15 -1.03 1.92 0.25 0.98 0.00 0.00 173.24 175.52 1ppx h LEU 107 N 10.63 0.00 -1.86 2.42 5.85 -1.91 -3.02 115.31 127.42 1ppx h LEU 107 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ppx h LEU 107 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ppx h LEU 107 CO 1.05 0.00 0.32 1.62 -0.34 0.00 0.00 178.44 181.08 1ppx h VAL 108 N 0.00 0.00 -1.20 1.05 3.04 -1.90 -1.68 116.25 115.56 1ppx h VAL 108 Ca 0.00 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.24 1ppx h VAL 108 Cb 0.49 0.62 -0.41 0.00 -2.01 0.00 0.00 31.29 29.98 1ppx h VAL 108 CO 0.00 0.00 -1.00 0.61 -1.01 0.00 0.00 177.57 176.17 1ppx n GLY 109 N -1.23 3.39 3.74 3.17 0.00 -1.14 -4.93 105.19 108.19 1ppx n GLY 109 Ca -0.02 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1ppx n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ppx s LEU 110 N -3.31 3.59 -0.42 0.99 0.20 -0.64 -4.99 118.68 114.11 1ppx s LEU 110 Ca 0.36 2.52 -0.09 0.00 0.69 0.00 0.00 54.13 57.61 1ppx s LEU 110 Cb 0.43 -4.61 0.08 0.00 -0.43 0.00 0.00 46.19 41.67 1ppx s LEU 110 CO -0.05 -1.88 0.27 0.21 -0.29 0.00 0.00 176.35 174.60 1ppx s ASN 111 N -1.51 5.64 0.47 3.68 3.84 -1.26 -4.91 114.94 120.88 1ppx s ASN 111 Ca 0.80 -1.57 0.30 0.00 0.21 0.00 0.00 52.86 52.60 1ppx s ASN 111 Cb -0.34 -1.99 1.10 0.00 -0.55 0.00 0.00 41.25 39.47 1ppx s ASN 111 CO 0.38 -0.56 1.87 0.00 -2.79 0.00 0.00 177.10 176.00 1ppx h ALA 112 N 8.40 1.00 0.14 1.71 0.00 -1.94 -2.95 119.26 125.63 1ppx h ALA 112 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1ppx h ALA 112 Cb 1.08 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ppx h ALA 112 CO 0.77 0.00 -0.93 0.22 0.00 0.00 0.00 179.25 179.31 1ppx h ASP 113 N 0.00 0.57 0.16 0.00 1.82 -1.95 -3.28 116.42 113.75 1ppx h ASP 113 Ca 0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 1ppx h ASP 113 Cb 0.58 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1ppx h ASP 113 CO 0.00 1.44 0.00 0.47 -1.61 0.00 0.00 179.24 179.54 1ppx n ASP 114 N -4.05 0.00 -4.68 2.28 9.92 -1.17 -4.81 116.55 114.05 1ppx n ASP 114 Ca -0.14 -0.61 -0.27 0.00 -0.53 0.00 0.00 54.79 53.24 1ppx n ASP 114 Cb 0.86 -0.09 -0.09 0.00 -0.64 0.00 0.00 41.12 41.16 1ppx n ASP 114 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ppx s PHE 115 N -2.19 2.51 0.10 1.24 -0.71 -1.12 0.21 117.98 118.01 1ppx s PHE 115 Ca 0.36 -0.66 -0.34 0.00 -1.04 0.00 0.00 56.93 55.25 1ppx s PHE 115 Cb 0.18 -1.84 -0.14 0.00 -1.21 0.00 0.00 43.02 40.01 1ppx s PHE 115 CO 0.35 0.32 1.61 -0.35 -1.34 0.00 0.00 175.22 175.81 1ppx n PRO 116 N -1.10 2.03 0.29 1.99 -0.04 -1.25 -4.87 135.00 132.05 1ppx n PRO 116 Ca -0.04 0.73 0.18 0.00 -0.04 0.00 0.00 63.50 64.33 1ppx n PRO 116 Cb 0.66 -2.50 0.79 0.00 -0.04 0.00 0.00 33.50 32.41 1ppx n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ppx h PRO 117 N 6.44 0.00 0.00 0.54 0.13 -1.91 -2.61 132.00 134.59 1ppx h PRO 117 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ppx h PRO 117 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ppx h PRO 117 CO 0.89 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1ppx n ALA 118 N -2.10 1.42 0.26 -0.56 0.00 -1.26 -1.71 120.51 116.56 1ppx n ALA 118 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1ppx n ALA 118 Cb 0.26 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.50 1ppx n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 119 N -1.78 1.23 -0.23 0.00 3.02 -0.98 -4.72 115.26 111.80 1ppx n ASN 119 Ca 0.02 -1.12 0.02 0.00 -0.03 0.00 0.00 54.58 53.47 1ppx n ASN 119 Cb 0.12 0.24 0.12 0.00 -0.61 0.00 0.00 39.78 39.65 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ppx h GLU 120 N 0.95 0.09 -1.26 3.52 4.57 -1.37 0.53 114.58 121.61 1ppx h GLU 120 Ca 0.00 -0.01 0.38 0.00 -1.18 0.00 0.00 59.36 58.55 1ppx h GLU 120 Cb 0.23 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 1ppx h GLU 120 CO 0.00 0.06 0.83 -1.35 -1.18 0.00 0.00 179.01 177.37 1ppx h PRO 121 N 0.09 0.16 0.02 0.92 0.11 -1.85 1.31 132.00 132.77 1ppx h PRO 121 Ca 0.36 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 1ppx h PRO 121 Cb 0.59 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1ppx h PRO 121 CO -0.60 0.11 -0.01 0.28 -0.21 0.00 0.00 178.00 177.56 1ppx h VAL 122 N 0.17 1.50 -0.24 3.15 2.07 -1.26 -3.32 116.25 118.31 1ppx h VAL 122 Ca 0.72 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1ppx h VAL 122 Cb 2.28 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 34.76 1ppx h VAL 122 CO -0.30 0.47 -0.11 0.40 0.02 0.00 0.00 177.57 178.05 1ppx h ILE 123 N -0.89 1.21 -0.36 4.57 1.08 -0.53 -2.37 117.51 120.22 1ppx h ILE 123 Ca -0.00 -0.90 0.11 0.00 -0.39 0.00 0.00 64.86 63.67 1ppx h ILE 123 Cb 0.78 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1ppx h ILE 123 CO 0.00 0.29 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 1ppx h ALA 124 N 1.52 2.13 0.02 1.87 0.00 0.15 1.50 119.26 126.44 1ppx h ALA 124 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ppx h ALA 124 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ppx h ALA 124 CO 0.02 -0.53 -0.01 -0.22 0.00 0.00 0.00 179.25 178.52 1ppx h LYS 125 N 0.00 -0.03 0.00 0.00 1.63 -1.53 -3.28 116.57 113.37 1ppx h LYS 125 Ca 0.17 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.78 1ppx h LYS 125 Cb 0.85 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.46 1ppx h LYS 125 CO -0.00 0.67 -0.91 1.25 -3.45 0.00 0.00 179.45 177.00 1ppx h LEU 126 N -0.94 0.01 -0.77 5.20 7.12 -1.44 -3.29 115.31 121.20 1ppx h LEU 126 Ca -0.00 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.06 1ppx h LEU 126 Cb 0.71 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 1ppx h LEU 126 CO 0.01 0.92 0.46 0.50 -0.13 0.00 0.00 178.44 180.19 1ppx h LYS 127 N 0.00 0.80 0.00 1.25 3.64 0.19 0.51 116.57 122.97 1ppx h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ppx h LYS 127 Cb 1.61 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1ppx h LYS 127 CO 0.12 0.53 0.00 -2.13 -2.27 0.00 0.00 179.45 175.70 1ppx n ARG 128 N -4.71 0.00 -0.42 1.90 0.63 -1.23 -4.93 116.66 107.90 1ppx n ARG 128 Ca 0.11 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1ppx n ARG 128 Cb 0.19 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40