#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 2.92 -0.22 0.03 2.20 -1.26 -5.05 119.74 118.36 1ppx s LYS 2 Ca 0.00 -1.51 -0.21 0.00 -0.36 0.00 0.00 55.97 53.89 1ppx s LYS 2 Cb 0.00 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 1ppx s LYS 2 CO 0.00 -1.14 0.63 -1.59 -0.36 0.00 0.00 175.35 172.89 1ppx s LYS 3 N 1.59 4.17 -0.15 4.03 -2.85 -1.26 -3.59 119.74 121.68 1ppx s LYS 3 Ca 0.04 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1ppx s LYS 3 Cb -0.26 -3.61 0.02 0.00 -2.06 0.00 0.00 37.83 31.92 1ppx s LYS 3 CO 0.04 -0.31 -0.14 -0.48 0.10 0.00 0.00 175.35 174.56 1ppx s LEU 4 N 2.16 1.69 0.09 2.77 0.05 -0.27 -4.99 118.68 120.18 1ppx s LEU 4 Ca 0.27 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 53.99 1ppx s LEU 4 Cb -0.16 -1.18 -0.04 0.00 -2.05 0.00 0.00 46.19 42.77 1ppx s LEU 4 CO 0.09 -0.05 0.14 -1.10 -0.55 0.00 0.00 176.35 174.89 1ppx s GLN 5 N 1.44 3.11 -0.04 1.48 -0.21 -1.26 -1.55 119.66 122.64 1ppx s GLN 5 Ca 0.04 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.78 1ppx s GLN 5 Cb -0.13 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1ppx s GLN 5 CO -0.10 0.57 0.08 0.42 -2.12 0.00 0.00 175.29 174.14 1ppx s ILE 6 N -1.49 -0.03 0.20 1.08 1.09 0.41 -3.78 121.20 118.68 1ppx s ILE 6 Ca 0.32 0.11 0.09 0.00 -1.10 0.00 0.00 60.65 60.07 1ppx s ILE 6 Cb -0.12 -0.14 -0.05 0.00 -1.06 0.00 0.00 42.46 41.09 1ppx s ILE 6 CO 0.25 0.05 -0.17 0.00 -0.10 0.00 0.00 174.94 174.96 1ppx s ALA 7 N 0.65 2.12 0.12 9.38 0.00 -1.19 0.66 121.76 133.51 1ppx s ALA 7 Ca -0.05 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.22 1ppx s ALA 7 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1ppx s ALA 7 CO -0.03 0.17 0.18 0.14 0.00 0.00 0.00 175.76 176.22 1ppx s VAL 8 N -2.52 0.12 -0.27 0.00 -7.23 0.41 -3.72 120.40 107.19 1ppx s VAL 8 Ca 0.21 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1ppx s VAL 8 Cb -0.03 -1.61 0.15 0.00 0.56 0.00 0.00 36.38 35.44 1ppx s VAL 8 CO 0.08 -0.55 0.39 -0.83 -0.31 0.00 0.00 175.10 173.88 1ppx s GLY 9 N -2.93 -0.48 -0.43 2.32 0.00 -1.19 0.18 107.32 104.79 1ppx s GLY 9 Ca 0.12 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 45.08 1ppx s GLY 9 CO -0.06 2.85 1.44 -0.42 0.00 0.00 0.00 173.10 176.92 1ppx s ILE 10 N 2.54 3.85 -0.02 0.90 1.01 -1.15 -4.47 121.20 123.86 1ppx s ILE 10 Ca 0.11 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 1ppx s ILE 10 Cb -0.14 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1ppx s ILE 10 CO -0.24 -0.80 1.41 -0.63 0.00 0.00 0.00 174.94 174.69 1ppx s ILE 11 N 5.67 3.76 -0.15 2.92 1.01 -1.26 -2.68 121.20 130.47 1ppx s ILE 11 Ca 0.61 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 62.10 1ppx s ILE 11 Cb -0.14 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ppx s ILE 11 CO 0.32 -0.02 0.89 -0.13 0.00 0.00 0.00 174.94 175.99 1ppx s ARG 12 N 2.70 4.34 1.19 2.79 1.81 -1.22 -2.99 118.95 127.57 1ppx s ARG 12 Ca 0.64 1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 55.60 1ppx s ARG 12 Cb -0.30 -3.56 0.28 0.00 -0.45 0.00 0.00 34.95 30.91 1ppx s ARG 12 CO 0.25 -0.33 1.10 1.21 -0.68 0.00 0.00 175.30 176.86 1ppx s ASN 13 N 1.13 0.98 0.58 0.23 3.84 0.61 -3.23 114.94 119.08 1ppx s ASN 13 Ca 0.42 0.67 0.31 0.00 0.21 0.00 0.00 52.86 54.47 1ppx s ASN 13 Cb -0.17 -0.95 1.70 0.00 -0.55 0.00 0.00 41.25 41.28 1ppx s ASN 13 CO 0.14 -4.09 1.95 -0.08 -2.79 0.00 0.00 177.10 172.22 1ppx h GLU 14 N -2.56 0.00 0.00 0.43 4.57 -1.89 -3.38 114.58 111.75 1ppx h GLU 14 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1ppx h GLU 14 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1ppx h GLU 14 CO 0.36 0.00 0.00 -1.71 -1.18 0.00 0.00 179.01 176.48 1ppx n ASN 15 N -2.75 0.00 -0.28 1.04 5.15 -1.26 -5.04 115.26 112.12 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 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 1ppx n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ppx n ASN 16 N -0.76 0.00 -4.95 1.20 3.02 -1.26 -5.12 115.26 107.38 1ppx n ASN 16 Ca 0.00 -1.14 -0.21 0.00 -0.03 0.00 0.00 54.58 53.20 1ppx n ASN 16 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppx s GLU 17 N 0.00 3.34 -0.01 3.52 8.01 -1.26 -4.48 118.70 127.82 1ppx s GLU 17 Ca 0.00 -0.83 0.02 0.00 0.01 0.00 0.00 54.97 54.18 1ppx s GLU 17 Cb 0.00 -2.84 -0.01 0.00 -4.31 0.00 0.00 34.13 26.98 1ppx s GLU 17 CO 0.00 0.39 -0.08 0.42 0.01 0.00 0.00 175.26 176.00 1ppx s ILE 18 N -2.02 0.61 -0.37 -1.63 1.09 0.33 0.22 121.20 119.44 1ppx s ILE 18 Ca 0.35 -0.33 -0.18 0.00 -1.10 0.00 0.00 60.65 59.39 1ppx s ILE 18 Cb -0.09 -0.52 0.00 0.00 -1.06 0.00 0.00 42.46 40.80 1ppx s ILE 18 CO 0.29 0.17 0.52 0.72 -0.10 0.00 0.00 174.94 176.55 1ppx s PHE 19 N -0.17 3.16 0.23 3.97 -0.12 -1.16 -1.80 117.98 122.09 1ppx s PHE 19 Ca 0.03 0.10 0.10 0.00 -0.05 0.00 0.00 56.93 57.11 1ppx s PHE 19 Cb -0.03 -2.98 -0.05 0.00 -0.63 0.00 0.00 43.02 39.33 1ppx s PHE 19 CO -0.00 -0.60 -0.18 0.42 -0.05 0.00 0.00 175.22 174.81 1ppx s ILE 20 N 2.43 2.11 -0.32 -4.49 1.09 -1.25 -4.45 121.20 116.31 1ppx s ILE 20 Ca 0.19 -2.25 -0.29 0.00 -1.10 0.00 0.00 60.65 57.20 1ppx s ILE 20 Cb -0.15 -2.14 -0.01 0.00 -1.06 0.00 0.00 42.46 39.10 1ppx s ILE 20 CO 0.14 -0.45 1.62 0.42 -0.10 0.00 0.00 174.94 176.57 1ppx s THR 21 N -2.59 3.69 -0.23 2.92 -4.23 0.51 -4.03 115.64 111.67 1ppx s THR 21 Ca 0.25 0.73 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1ppx s THR 21 Cb -0.04 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.02 1ppx s THR 21 CO 0.11 -0.48 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.04 1ppx s ARG 22 N 5.10 1.79 -1.33 3.99 3.52 -1.26 -2.19 118.95 128.56 1ppx s ARG 22 Ca 0.71 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1ppx s ARG 22 Cb -0.20 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1ppx s ARG 22 CO 0.32 -0.57 0.00 0.54 -0.81 0.00 0.00 175.30 174.78 1ppx n ARG 23 N 4.63 -1.63 -0.33 5.12 1.74 -1.19 -4.67 116.66 120.33 1ppx n ARG 23 Ca -0.13 0.75 0.04 0.00 -0.77 0.00 0.00 57.85 57.74 1ppx n ARG 23 Cb 0.44 -5.14 -0.01 0.00 -1.02 0.00 0.00 32.46 26.73 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ppx n ALA 24 N -0.53 -1.32 0.08 7.54 0.00 -1.26 -3.80 120.51 121.23 1ppx n ALA 24 Ca -0.15 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1ppx n ALA 24 Cb 0.51 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx h ALA 25 N -0.57 0.46 0.00 0.00 0.00 -1.83 -3.42 119.26 113.90 1ppx h ALA 25 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 54.02 1ppx h ALA 25 Cb 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1ppx h ALA 25 CO 0.00 1.14 -0.13 -0.40 0.00 0.00 0.00 179.25 179.86 1ppx n ASP 26 N -3.39 -0.58 -1.40 0.00 5.68 -1.26 -5.16 116.55 110.44 1ppx n ASP 26 Ca 0.00 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 1ppx n ASP 26 Cb 0.88 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 41.10 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ppx n ALA 27 N -0.37 0.00 -1.96 2.12 0.00 -1.25 -5.05 120.51 114.00 1ppx n ALA 27 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1ppx n ALA 27 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.71 2.36 -3.63 0.00 -0.00 -1.26 -4.87 115.22 107.11 1ppx n HIS 28 Ca 0.00 -2.12 -0.27 0.00 0.46 0.00 0.00 57.72 55.79 1ppx n HIS 28 Cb 0.00 -0.33 -0.10 0.00 -0.12 0.00 0.00 29.99 29.44 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 -0.77 1.95 0.06 1.57 2.81 -1.26 -4.87 117.12 116.62 1ppx n MET 29 Ca 0.40 -4.41 -0.00 0.00 -1.81 0.00 0.00 57.70 51.88 1ppx n MET 29 Cb 0.93 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 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 4.81 0.64 -0.36 3.04 0.00 -1.89 -3.15 119.26 122.36 1ppx h ALA 30 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ppx h ALA 30 Cb 0.73 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ppx h ALA 30 CO 0.73 0.91 0.00 0.09 0.00 0.00 0.00 179.25 180.98 1ppx n ASN 31 N -3.03 2.10 -0.88 0.00 4.13 -1.21 -3.86 115.26 112.51 1ppx n ASN 31 Ca -0.06 -2.05 0.02 0.00 1.68 0.00 0.00 54.58 54.17 1ppx n ASN 31 Cb 0.83 -0.28 0.21 0.00 -1.54 0.00 0.00 39.78 39.00 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 0.55 1.97 -1.48 3.52 3.00 -0.80 -2.32 118.16 122.59 1ppx n LYS 32 Ca 0.12 -3.05 -0.14 0.00 -0.00 0.00 0.00 58.31 55.25 1ppx n LYS 32 Cb 0.35 -1.75 -0.11 0.00 0.00 0.00 0.00 35.03 33.52 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 -1.03 0.45 -4.73 3.14 0.00 -0.21 -4.60 117.00 110.01 1ppx n LEU 33 Ca 0.26 -1.50 -0.32 0.00 0.00 0.00 0.00 56.01 54.45 1ppx n LEU 33 Cb 0.90 -1.28 -0.07 0.00 0.00 0.00 0.00 43.42 42.97 1ppx n LEU 33 CO 0.12 -2.48 -0.24 -0.70 0.00 0.00 0.00 177.39 174.10 1ppx s GLU 34 N 7.90 2.19 0.37 1.96 2.12 -0.93 -4.03 118.70 128.27 1ppx s GLU 34 Ca 0.87 -2.41 0.09 0.00 0.36 0.00 0.00 54.97 53.88 1ppx s GLU 34 Cb -0.26 -1.32 -0.07 0.00 0.26 0.00 0.00 34.13 32.74 1ppx s GLU 34 CO 0.21 -0.44 -0.06 -0.59 -0.54 0.00 0.00 175.26 173.84 1ppx s PHE 35 N -2.96 2.44 1.07 5.30 -0.12 -1.26 -0.37 117.98 122.09 1ppx s PHE 35 Ca 0.05 -0.55 -0.21 0.00 -0.05 0.00 0.00 56.93 56.16 1ppx s PHE 35 Cb 0.00 -1.51 -0.01 0.00 -0.63 0.00 0.00 43.02 40.87 1ppx s PHE 35 CO 0.03 0.54 -0.53 -0.35 -0.05 0.00 0.00 175.22 174.87 1ppx n PRO 36 N -0.85 -0.95 0.00 1.99 -0.04 -1.26 -4.78 135.00 129.11 1ppx n PRO 36 Ca -0.05 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1ppx n PRO 36 Cb 0.65 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1ppx n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ppx n GLY 37 N 2.54 0.82 2.72 0.55 0.00 -1.24 -3.14 105.19 107.43 1ppx n GLY 37 Ca -0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.66 0.91 0.00 -0.02 0.00 -1.25 -3.15 107.32 102.15 1ppx s GLY 38 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1ppx s GLY 38 CO 0.00 1.59 0.00 1.17 0.00 0.00 0.00 173.10 175.86 1ppx n LYS 39 N 4.95 0.00 -0.31 2.90 4.81 -1.26 -5.02 118.16 124.22 1ppx n LYS 39 Ca -0.05 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.52 1ppx n LYS 39 Cb 0.43 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.75 1ppx n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1ppx h ILE 40 N 0.00 0.15 0.00 3.15 2.10 -1.83 -2.83 117.51 118.26 1ppx h ILE 40 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1ppx h ILE 40 Cb 0.00 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 35.80 1ppx h ILE 40 CO 0.00 0.01 0.00 -1.84 -1.08 0.00 0.00 178.15 175.24 1ppx n GLU 41 N -5.39 0.00 0.00 2.19 0.28 -1.25 -4.42 120.64 112.05 1ppx n GLU 41 Ca 0.21 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.81 1ppx n GLU 41 Cb 0.69 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.54 1ppx n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ppx n MET 42 N -1.73 0.00 -0.42 3.44 0.00 -1.07 -3.44 117.12 113.90 1ppx n MET 42 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 1ppx n MET 42 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 1ppx n MET 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ppx n GLY 43 N 0.00 0.19 0.00 3.17 0.00 -1.26 -5.12 105.19 102.17 1ppx n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppx n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ppx n GLU 44 N 0.00 2.11 -3.95 1.61 2.13 -1.22 -5.09 120.64 116.24 1ppx n GLU 44 Ca -0.05 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.49 1ppx n GLU 44 Cb 0.30 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.97 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ppx s THR 45 N 1.04 5.25 0.61 6.31 2.01 -1.26 -4.77 115.64 124.83 1ppx s THR 45 Ca 0.00 -0.60 0.25 0.00 0.31 0.00 0.00 61.69 61.65 1ppx s THR 45 Cb 0.00 -3.64 0.35 0.00 0.01 0.00 0.00 72.50 69.22 1ppx s THR 45 CO 0.00 0.01 1.45 1.55 -0.69 0.00 0.00 174.62 176.93 1ppx h PRO 46 N 2.59 0.00 0.00 4.92 0.13 -1.98 1.23 132.00 138.89 1ppx h PRO 46 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1ppx h PRO 46 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1ppx h PRO 46 CO 0.71 0.00 -2.42 0.39 -0.23 0.00 0.00 178.00 176.45 1ppx n GLU 47 N -3.26 0.59 0.00 0.86 -0.58 -1.26 -4.50 120.64 112.49 1ppx n GLU 47 Ca 0.16 0.29 0.14 0.00 -0.42 0.00 0.00 57.16 57.33 1ppx n GLU 47 Cb 1.22 -1.52 0.64 0.00 -0.57 0.00 0.00 31.44 31.21 1ppx n GLU 47 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ppx n GLN 48 N -4.24 0.12 0.25 3.49 6.02 -0.45 -3.04 117.38 119.53 1ppx n GLN 48 Ca -0.52 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.33 1ppx n GLN 48 Cb 0.87 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ppx h ALA 49 N 3.12 -0.65 0.11 -1.58 0.00 0.12 -3.06 119.26 117.32 1ppx h ALA 49 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1ppx h ALA 49 Cb 0.44 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ppx h ALA 49 CO 0.00 -0.69 -1.20 -0.24 0.00 0.00 0.00 179.25 177.12 1ppx h VAL 50 N -1.00 1.44 -0.99 0.00 3.04 -1.78 -3.14 116.25 113.83 1ppx h VAL 50 Ca -0.07 -2.85 0.24 0.00 -1.01 0.00 0.00 66.70 63.01 1ppx h VAL 50 Cb 0.59 2.82 -0.08 0.00 -2.01 0.00 0.00 31.29 32.62 1ppx h VAL 50 CO 0.11 0.84 0.65 0.58 -1.01 0.00 0.00 177.57 178.74 1ppx h VAL 51 N 0.13 0.59 0.08 1.51 2.07 -1.65 1.47 116.25 120.45 1ppx h VAL 51 Ca -0.14 -0.14 -0.25 0.00 0.82 0.00 0.00 66.70 66.99 1ppx h VAL 51 Cb 1.90 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1ppx h VAL 51 CO 0.20 0.07 -1.12 0.03 0.02 0.00 0.00 177.57 176.78 1ppx h ARG 52 N 0.40 0.29 0.00 1.57 -0.00 -1.58 -3.21 114.38 111.86 1ppx h ARG 52 Ca 0.54 -0.42 -0.04 0.00 -0.50 0.00 0.00 59.98 59.56 1ppx h ARG 52 Cb 1.38 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 31.49 1ppx h ARG 52 CO -0.24 1.16 -0.19 0.93 0.00 0.00 0.00 179.97 181.63 1ppx h GLU 53 N 0.12 0.00 -0.67 0.04 4.39 -0.15 -3.25 114.58 115.06 1ppx h GLU 53 Ca -0.11 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1ppx h GLU 53 Cb 1.81 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.40 1ppx h GLU 53 CO 0.18 0.19 0.33 1.25 -1.16 0.00 0.00 179.01 179.81 1ppx h LEU 54 N 0.00 0.45 -1.19 1.33 5.85 0.18 0.58 115.31 122.51 1ppx h LEU 54 Ca -0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1ppx h LEU 54 Cb 0.99 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ppx h LEU 54 CO 0.02 0.27 -0.18 1.56 -0.34 0.00 0.00 178.44 179.78 1ppx h GLN 55 N 0.59 0.33 0.00 1.25 7.50 -1.69 0.66 115.11 123.75 1ppx h GLN 55 Ca 0.32 -0.10 -0.14 0.00 0.50 0.00 0.00 58.65 59.23 1ppx h GLN 55 Cb 0.29 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.77 1ppx h GLN 55 CO -0.24 0.51 -0.66 1.49 -1.50 0.00 0.00 178.83 178.44 1ppx h GLU 56 N 0.31 0.00 -0.25 1.46 4.81 -1.09 0.17 114.58 119.99 1ppx h GLU 56 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1ppx h GLU 56 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ppx h GLU 56 CO 0.03 0.66 0.00 0.39 -0.73 0.00 0.00 179.01 179.36 1ppx n GLU 57 N -3.41 1.99 0.00 1.92 1.02 0.18 -4.02 120.64 118.32 1ppx n GLU 57 Ca 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.33 1ppx n GLU 57 Cb 0.74 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ppx n VAL 58 N 0.79 0.00 -1.33 2.62 0.31 0.23 -4.22 118.33 116.73 1ppx n VAL 58 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 1ppx n VAL 58 Cb 0.42 -0.41 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 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 1.99 1.22 0.00 2.92 0.00 0.59 -0.96 105.19 110.95 1ppx n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.95 0.00 -3.82 -0.61 -5.35 -1.26 -4.80 119.36 101.57 1ppx n ILE 60 Ca -0.13 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.03 1ppx n ILE 60 Cb 0.50 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.29 1ppx n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ppx s THR 61 N -1.20 3.26 -0.04 7.28 -1.32 -1.25 -4.97 115.64 117.40 1ppx s THR 61 Ca 0.00 -3.49 0.06 0.00 -1.21 0.00 0.00 61.69 57.04 1ppx s THR 61 Cb 0.00 -3.15 -0.02 0.00 -1.51 0.00 0.00 72.50 67.82 1ppx s THR 61 CO 0.00 -0.91 -0.20 -2.16 -2.21 0.00 0.00 174.62 169.14 1ppx s PRO 62 N -0.62 2.35 -1.23 7.08 0.04 -1.26 -0.34 135.00 141.01 1ppx s PRO 62 Ca 0.20 -0.82 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1ppx s PRO 62 Cb -0.17 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1ppx s PRO 62 CO -0.06 0.57 1.85 1.04 0.04 0.00 0.00 177.00 180.44 1ppx n GLN 63 N 2.44 2.38 -4.52 4.56 6.02 -0.78 -4.85 117.38 122.63 1ppx n GLN 63 Ca -0.17 -2.83 -0.33 0.00 -0.01 0.00 0.00 57.00 53.66 1ppx n GLN 63 Cb 0.52 -3.58 -0.14 0.00 1.02 0.00 0.00 30.24 28.05 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 7.44 2.84 0.00 1.08 2.46 -1.26 -1.86 115.29 125.99 1ppx s HIS 64 Ca 0.61 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1ppx s HIS 64 Cb 0.03 -1.91 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1ppx s HIS 64 CO 0.10 -0.35 0.00 0.34 -2.47 0.00 0.00 174.74 172.36 1ppx n PHE 65 N 3.92 0.00 -1.15 3.88 7.35 -1.25 -4.96 117.46 125.26 1ppx n PHE 65 Ca -0.18 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.58 1ppx n PHE 65 Cb 0.52 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1ppx n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ppx n SER 66 N 0.00 -3.93 -3.74 -2.13 2.88 -1.26 -2.09 113.62 103.36 1ppx n SER 66 Ca 0.00 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1ppx n SER 66 Cb 0.00 -1.81 -0.14 0.00 -0.75 0.00 0.00 64.21 61.51 1ppx n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ppx s LEU 67 N 0.00 0.58 -0.04 2.46 0.05 -1.26 -1.26 118.68 119.21 1ppx s LEU 67 Ca 0.00 0.40 -0.23 0.00 0.05 0.00 0.00 54.13 54.35 1ppx s LEU 67 Cb 0.00 0.53 -0.25 0.00 -2.05 0.00 0.00 46.19 44.42 1ppx s LEU 67 CO 0.00 -0.16 1.01 2.19 -0.55 0.00 0.00 176.35 178.85 1ppx h PHE 68 N 7.23 0.40 -1.43 3.48 -0.00 -1.55 -3.41 116.94 121.65 1ppx h PHE 68 Ca -0.42 -0.23 0.13 0.00 -0.00 0.00 0.00 57.97 57.45 1ppx h PHE 68 Cb 1.15 -0.04 -0.28 0.00 -0.00 0.00 0.00 35.95 36.77 1ppx h PHE 68 CO 0.40 1.07 0.48 -1.21 -0.00 0.00 0.00 178.31 179.05 1ppx s GLU 69 N -2.98 0.32 -0.11 6.09 2.02 -1.17 -5.04 118.70 117.82 1ppx s GLU 69 Ca -0.15 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1ppx s GLU 69 Cb 0.01 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 1ppx s GLU 69 CO 0.78 -0.06 -0.13 -1.59 0.02 0.00 0.00 175.26 174.28 1ppx s LYS 70 N 1.13 3.21 -0.08 1.61 -2.85 -1.26 -2.60 119.74 118.90 1ppx s LYS 70 Ca -0.07 -0.68 0.01 0.00 -1.00 0.00 0.00 55.97 54.24 1ppx s LYS 70 Cb -0.04 -2.59 -0.03 0.00 -2.06 0.00 0.00 37.83 33.12 1ppx s LYS 70 CO -0.13 0.30 -0.10 -1.17 0.10 0.00 0.00 175.35 174.35 1ppx s LEU 71 N 0.11 2.95 -0.22 2.77 2.96 0.92 -4.96 118.68 123.21 1ppx s LEU 71 Ca -0.06 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1ppx s LEU 71 Cb -0.15 -1.63 0.06 0.00 0.50 0.00 0.00 46.19 44.97 1ppx s LEU 71 CO 0.05 0.31 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.67 1ppx s GLU 72 N -0.51 1.21 0.02 1.98 2.12 -1.26 -1.23 118.70 121.03 1ppx s GLU 72 Ca 0.07 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 1ppx s GLU 72 Cb -0.12 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 1ppx s GLU 72 CO 0.02 -0.62 -0.01 -0.47 -0.54 0.00 0.00 175.26 173.64 1ppx s TYR 73 N 1.59 0.21 -0.02 5.30 5.04 -1.19 -5.04 117.35 123.24 1ppx s TYR 73 Ca -0.04 -0.44 0.08 0.00 -2.44 0.00 0.00 57.07 54.23 1ppx s TYR 73 Cb -0.18 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 41.95 1ppx s TYR 73 CO -0.07 -0.18 -0.24 -1.83 -1.34 0.00 0.00 175.55 171.88 1ppx s GLU 74 N -1.33 1.98 0.53 4.97 -1.05 -1.26 -2.29 118.70 120.25 1ppx s GLU 74 Ca -0.15 -0.88 -0.05 0.00 -0.15 0.00 0.00 54.97 53.75 1ppx s GLU 74 Cb -0.09 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 31.67 1ppx s GLU 74 CO -0.01 0.53 0.83 -0.06 0.95 0.00 0.00 175.26 177.50 1ppx s PHE 75 N -0.58 3.35 -0.73 4.83 0.40 0.43 -4.88 117.98 120.81 1ppx s PHE 75 Ca 0.09 0.64 -0.18 0.00 -0.60 0.00 0.00 56.93 56.88 1ppx s PHE 75 Cb -0.09 -2.52 -0.17 0.00 0.51 0.00 0.00 43.02 40.75 1ppx s PHE 75 CO -0.01 -0.57 1.86 -0.35 0.70 0.00 0.00 175.22 176.85 1ppx n PRO 76 N -2.40 0.13 -0.15 0.24 -0.04 -1.26 0.11 135.00 131.64 1ppx n PRO 76 Ca 0.03 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1ppx n PRO 76 Cb 0.57 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1ppx n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ppx n ASP 77 N 14.18 -0.44 -4.04 3.54 -0.08 -1.26 -5.08 116.55 123.36 1ppx n ASP 77 Ca 0.33 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.50 1ppx n ASP 77 Cb 0.44 -0.07 -0.11 0.00 2.34 0.00 0.00 41.12 43.71 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1ppx s ARG 78 N -0.63 0.47 -0.38 -0.67 3.52 0.31 -4.31 118.95 117.26 1ppx s ARG 78 Ca 0.00 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 1ppx s ARG 78 Cb 0.00 -0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.35 1ppx s ARG 78 CO 0.00 0.01 0.12 -1.58 -0.81 0.00 0.00 175.30 173.05 1ppx s HIS 79 N -1.49 2.99 -0.38 5.12 2.46 -1.24 0.16 115.29 122.92 1ppx s HIS 79 Ca -0.11 -2.69 -0.14 0.00 0.47 0.00 0.00 55.06 52.59 1ppx s HIS 79 Cb -0.09 -2.52 0.01 0.00 -0.13 0.00 0.00 32.58 29.85 1ppx s HIS 79 CO -0.00 -0.88 0.26 -1.50 -2.47 0.00 0.00 174.74 170.16 1ppx s ILE 80 N 0.77 5.15 -0.18 0.89 2.07 -0.97 -1.11 121.20 127.82 1ppx s ILE 80 Ca 0.13 -0.54 -0.10 0.00 -1.41 0.00 0.00 60.65 58.73 1ppx s ILE 80 Cb -0.21 -3.79 -0.05 0.00 0.13 0.00 0.00 42.46 38.54 1ppx s ILE 80 CO -0.09 -0.19 0.14 0.42 -1.91 0.00 0.00 174.94 173.30 1ppx s THR 81 N 1.67 5.42 -0.19 4.00 -4.23 -0.59 -3.18 115.64 118.54 1ppx s THR 81 Ca 0.05 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1ppx s THR 81 Cb -0.18 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.23 1ppx s THR 81 CO 0.10 0.47 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.34 1ppx s LEU 82 N 0.13 2.13 -0.19 4.79 1.98 -0.36 0.16 118.68 127.30 1ppx s LEU 82 Ca 0.10 -0.86 -0.03 0.00 -2.89 0.00 0.00 54.13 50.45 1ppx s LEU 82 Cb -0.11 -1.14 -0.01 0.00 0.66 0.00 0.00 46.19 45.59 1ppx s LEU 82 CO -0.01 -0.17 -0.07 0.26 -1.89 0.00 0.00 176.35 174.47 1ppx s TRP 83 N 1.46 2.92 -0.28 5.38 0.51 0.21 -0.06 118.94 129.08 1ppx s TRP 83 Ca -0.01 -0.89 -0.08 0.00 -2.12 0.00 0.00 56.10 53.00 1ppx s TRP 83 Cb -0.16 -2.02 -0.01 0.00 -0.81 0.00 0.00 33.47 30.47 1ppx s TRP 83 CO -0.08 -0.46 0.10 -0.06 -0.51 0.00 0.00 176.95 175.94 1ppx s PHE 84 N 1.15 3.13 0.13 -1.98 0.40 -1.07 0.15 117.98 119.89 1ppx s PHE 84 Ca 0.01 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.61 1ppx s PHE 84 Cb -0.14 -2.28 -0.06 0.00 0.51 0.00 0.00 43.02 41.05 1ppx s PHE 84 CO -0.02 -0.47 0.40 -1.58 0.70 0.00 0.00 175.22 174.26 1ppx s TRP 85 N 1.57 3.50 -0.48 0.36 0.52 0.48 -1.73 118.94 123.17 1ppx s TRP 85 Ca 0.05 0.67 -0.13 0.00 0.02 0.00 0.00 56.10 56.71 1ppx s TRP 85 Cb -0.16 -2.09 0.10 0.00 -1.15 0.00 0.00 33.47 30.17 1ppx s TRP 85 CO 0.04 0.44 0.38 -1.17 0.02 0.00 0.00 176.95 176.66 1ppx s LEU 86 N -2.43 5.66 0.27 2.99 2.96 -0.39 -2.91 118.68 124.83 1ppx s LEU 86 Ca 0.39 -1.59 -0.21 0.00 -0.22 0.00 0.00 54.13 52.50 1ppx s LEU 86 Cb -0.13 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.36 1ppx s LEU 86 CO 0.22 -0.68 0.79 -0.69 -1.32 0.00 0.00 176.35 174.67 1ppx s VAL 87 N 1.53 4.48 -0.06 1.68 1.01 -1.09 -3.75 120.40 124.20 1ppx s VAL 87 Ca 0.04 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1ppx s VAL 87 Cb -0.26 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1ppx s VAL 87 CO 0.03 0.11 0.12 -1.84 0.00 0.00 0.00 175.10 173.53 1ppx n GLU 88 N 0.48 1.49 -3.66 2.72 0.28 -0.78 -3.44 120.64 117.73 1ppx n GLU 88 Ca -0.00 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.16 56.89 1ppx n GLU 88 Cb 0.51 -1.01 -0.02 0.00 1.43 0.00 0.00 31.44 32.35 1ppx n GLU 88 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ppx s ARG 89 N -2.09 1.42 -0.25 3.44 1.81 -0.90 -4.53 118.95 117.85 1ppx s ARG 89 Ca -0.01 -0.69 -0.14 0.00 -1.72 0.00 0.00 55.73 53.17 1ppx s ARG 89 Cb 0.03 0.54 0.07 0.00 -0.45 0.00 0.00 34.95 35.15 1ppx s ARG 89 CO 0.19 -0.64 0.61 1.67 -0.68 0.00 0.00 175.30 176.45 1ppx s TRP 90 N -3.67 -0.93 0.27 -0.53 -2.14 -1.23 -1.87 118.94 108.83 1ppx s TRP 90 Ca 0.07 1.89 0.05 0.00 2.66 0.00 0.00 56.10 60.78 1ppx s TRP 90 Cb -0.03 0.53 -0.03 0.00 -3.10 0.00 0.00 33.47 30.85 1ppx s TRP 90 CO -0.02 -0.48 0.40 -2.00 -2.66 0.00 0.00 176.95 172.19 1ppx s GLU 91 N 1.57 3.36 7.40 3.25 2.56 0.54 -4.86 118.70 132.52 1ppx s GLU 91 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.08 1ppx s GLU 91 Cb -0.06 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1ppx s GLU 91 CO -0.18 0.33 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 1ppx n GLY 92 N -1.49 2.62 3.04 -1.50 0.00 -1.26 -3.90 105.19 102.70 1ppx n GLY 92 Ca -0.07 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1ppx n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppx s GLU 93 N 0.00 1.94 0.00 1.61 2.12 -1.26 -5.10 118.70 118.01 1ppx s GLU 93 Ca 0.00 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 1ppx s GLU 93 Cb 0.00 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 1ppx s GLU 93 CO 0.00 -0.01 1.11 -2.14 -0.54 0.00 0.00 175.26 173.68 1ppx s PRO 94 N 0.82 4.46 0.18 4.30 0.02 -1.26 -4.71 135.00 138.79 1ppx s PRO 94 Ca -0.11 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1ppx s PRO 94 Cb -0.15 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1ppx s PRO 94 CO 0.02 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1ppx n TRP 95 N 4.29 -1.38 0.00 6.54 4.27 -1.09 -4.91 117.44 125.16 1ppx n TRP 95 Ca 0.08 0.24 0.00 0.00 -3.89 0.00 0.00 57.50 53.94 1ppx n TRP 95 Cb 0.48 0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.83 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 2.12 0.13 1.24 -1.67 0.00 -0.13 -4.45 105.19 102.42 1ppx n GLY 96 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppx n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ppx n LYS 97 N 0.00 0.00 0.15 1.61 4.76 -1.26 -4.14 118.16 119.29 1ppx n LYS 97 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1ppx n LYS 97 Cb 0.00 -2.32 0.24 0.00 -1.84 0.00 0.00 35.03 31.11 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1ppx h GLU 98 N 0.00 0.00 0.00 1.97 -0.00 -1.78 -3.47 114.58 111.31 1ppx h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1ppx h GLU 98 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.68 1ppx h GLU 98 CO 0.00 0.53 0.00 0.41 -0.00 0.00 0.00 179.01 179.95 1ppx n GLY 99 N 0.11 -0.55 2.58 1.06 0.00 -1.26 -4.92 105.19 102.21 1ppx n GLY 99 Ca -0.01 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1ppx n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppx s GLN 100 N 0.00 0.13 0.37 1.61 1.11 -1.26 -5.08 119.66 116.53 1ppx s GLN 100 Ca 0.00 -0.30 -0.24 0.00 0.01 0.00 0.00 55.36 54.84 1ppx s GLN 100 Cb 0.00 -1.50 -0.14 0.00 -1.01 0.00 0.00 33.01 30.36 1ppx s GLN 100 CO 0.00 -0.84 0.46 -2.30 0.01 0.00 0.00 175.29 172.61 1ppx n PRO 101 N 5.27 0.38 -4.32 2.91 -0.02 -1.26 -4.31 135.00 133.64 1ppx n PRO 101 Ca -0.06 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 1ppx n PRO 101 Cb 0.46 -1.31 -0.10 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.94 1.72 0.23 -1.23 0.00 -1.26 -3.89 107.32 101.95 1ppx s GLY 102 Ca 0.62 -1.86 0.10 0.00 0.00 0.00 0.00 44.72 43.58 1ppx s GLY 102 CO 0.59 -1.60 -0.09 -0.54 0.00 0.00 0.00 173.10 171.46 1ppx s GLU 103 N -4.02 2.04 -0.41 2.90 0.41 -1.26 -4.87 118.70 113.50 1ppx s GLU 103 Ca 0.37 -1.42 -0.28 0.00 -0.41 0.00 0.00 54.97 53.23 1ppx s GLU 103 Cb 0.08 -2.07 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 1ppx s GLU 103 CO 0.13 0.39 1.93 -1.58 -0.49 0.00 0.00 175.26 175.64 1ppx s TRP 104 N -2.06 1.62 0.32 1.61 0.51 -1.26 -3.78 118.94 115.90 1ppx s TRP 104 Ca 0.28 0.78 0.10 0.00 -2.12 0.00 0.00 56.10 55.13 1ppx s TRP 104 Cb -0.07 -4.03 -0.06 0.00 -0.81 0.00 0.00 33.47 28.50 1ppx s TRP 104 CO 0.16 -2.84 -0.13 0.00 -0.51 0.00 0.00 176.95 173.64 1ppx s MET 105 N 6.41 1.74 -0.26 4.98 0.23 -0.75 -4.88 119.30 126.77 1ppx s MET 105 Ca 0.81 -1.87 -0.29 0.00 -1.03 0.00 0.00 55.69 53.31 1ppx s MET 105 Cb -0.20 -1.67 -0.01 0.00 -1.53 0.00 0.00 34.83 31.41 1ppx s MET 105 CO 0.29 0.20 1.45 0.45 -2.03 0.00 0.00 175.02 175.38 1ppx s SER 106 N -3.56 6.52 0.54 -1.18 0.15 -1.26 0.12 113.70 115.04 1ppx s SER 106 Ca 0.31 1.40 0.36 0.00 0.70 0.00 0.00 55.95 58.71 1ppx s SER 106 Cb 0.00 -2.54 1.69 0.00 -1.71 0.00 0.00 66.02 63.47 1ppx s SER 106 CO 0.15 -1.17 2.07 0.25 1.20 0.00 0.00 173.24 175.74 1ppx h LEU 107 N 11.30 0.00 -0.97 3.45 5.85 -1.78 -2.52 115.31 130.63 1ppx h LEU 107 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1ppx h LEU 107 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ppx h LEU 107 CO 1.02 0.00 0.00 0.52 -0.34 0.00 0.00 178.44 179.64 1ppx n VAL 108 N -2.91 1.31 -1.56 1.05 0.31 -1.26 -1.74 118.33 113.52 1ppx n VAL 108 Ca -0.01 0.64 -0.18 0.00 -0.01 0.00 0.00 64.34 64.79 1ppx n VAL 108 Cb 0.19 -1.64 0.13 0.00 -0.91 0.00 0.00 33.84 31.61 1ppx n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 109 N -1.28 5.48 3.73 2.92 0.00 -0.95 -4.96 105.19 110.12 1ppx n GLY 109 Ca -0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.48 4.37 -0.07 0.99 2.96 -0.71 -5.00 118.68 117.74 1ppx s LEU 110 Ca 0.52 2.76 0.04 0.00 -0.22 0.00 0.00 54.13 57.23 1ppx s LEU 110 Cb 0.44 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.52 1ppx s LEU 110 CO 0.01 -0.87 -0.20 0.20 -1.32 0.00 0.00 176.35 174.17 1ppx s ASN 111 N 0.94 2.61 0.29 3.68 0.02 -1.26 -4.78 114.94 116.44 1ppx s ASN 111 Ca 0.69 -0.45 0.25 0.00 -1.02 0.00 0.00 52.86 52.33 1ppx s ASN 111 Cb -0.46 -0.99 0.97 0.00 0.02 0.00 0.00 41.25 40.79 1ppx s ASN 111 CO 0.36 0.15 1.75 0.00 0.02 0.00 0.00 177.10 179.38 1ppx h ALA 112 N 6.53 1.00 0.01 0.60 0.00 -1.93 -2.83 119.26 122.64 1ppx h ALA 112 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1ppx h ALA 112 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ppx h ALA 112 CO 0.47 0.00 -0.11 0.22 0.00 0.00 0.00 179.25 179.83 1ppx h ASP 113 N 0.00 0.07 -0.39 0.00 1.82 -1.96 -3.36 116.42 112.60 1ppx h ASP 113 Ca 0.00 -0.93 -0.11 0.00 -0.39 0.00 0.00 57.03 55.59 1ppx h ASP 113 Cb 0.48 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1ppx h ASP 113 CO 0.00 1.00 -0.17 0.44 -1.61 0.00 0.00 179.24 178.90 1ppx h ASP 114 N -0.85 0.87 -4.25 2.28 5.19 -1.82 -3.45 116.42 114.41 1ppx h ASP 114 Ca -0.02 -0.30 -0.45 0.00 -0.62 0.00 0.00 57.03 55.64 1ppx h ASP 114 Cb 1.03 -0.24 0.14 0.00 0.18 0.00 0.00 39.33 40.44 1ppx h ASP 114 CO 0.02 1.03 0.39 0.72 -3.12 0.00 0.00 179.24 178.28 1ppx s PHE 115 N -4.71 2.15 0.02 4.55 -0.71 -1.07 -1.05 117.98 117.16 1ppx s PHE 115 Ca -0.10 0.55 -0.30 0.00 -1.04 0.00 0.00 56.93 56.04 1ppx s PHE 115 Cb 0.13 -3.77 -0.05 0.00 -1.21 0.00 0.00 43.02 38.12 1ppx s PHE 115 CO 0.84 -2.35 1.24 -1.25 -1.34 0.00 0.00 175.22 172.36 1ppx s PRO 116 N -5.68 4.38 0.32 1.99 0.04 -0.98 -4.54 135.00 130.53 1ppx s PRO 116 Ca 0.68 1.78 0.21 0.00 0.04 0.00 0.00 61.00 63.71 1ppx s PRO 116 Cb -0.08 -3.44 1.13 0.00 0.04 0.00 0.00 34.50 32.15 1ppx s PRO 116 CO 0.52 -0.37 1.63 -0.35 0.04 0.00 0.00 177.00 178.47 1ppx n PRO 117 N 4.53 0.13 0.00 0.56 -0.04 -1.26 -2.18 135.00 136.74 1ppx n PRO 117 Ca 0.10 0.63 0.04 0.00 -0.04 0.00 0.00 63.50 64.24 1ppx n PRO 117 Cb 0.46 -1.96 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 1ppx n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ppx n ALA 118 N -1.76 1.39 -2.52 0.55 0.00 -1.26 -2.86 120.51 114.06 1ppx n ALA 118 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1ppx n ALA 118 Cb 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.49 2.93 -0.01 0.00 5.03 -0.93 -4.87 115.26 115.93 1ppx n ASN 119 Ca 0.02 -2.83 -0.15 0.00 0.87 0.00 0.00 54.58 52.49 1ppx n ASN 119 Cb 0.10 -0.44 -0.04 0.00 -1.02 0.00 0.00 39.78 38.37 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1ppx h GLU 120 N 2.52 0.71 -0.93 3.52 4.81 -1.72 -3.00 114.58 120.50 1ppx h GLU 120 Ca 0.07 -0.57 0.18 0.00 -0.13 0.00 0.00 59.36 58.91 1ppx h GLU 120 Cb 1.31 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.70 1ppx h GLU 120 CO 0.47 1.18 0.51 -1.35 -0.73 0.00 0.00 179.01 179.10 1ppx h PRO 121 N 0.49 0.64 0.02 0.92 0.11 -1.89 1.54 132.00 133.83 1ppx h PRO 121 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ppx h PRO 121 Cb 1.36 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ppx h PRO 121 CO 0.15 0.42 -0.01 0.28 -0.21 0.00 0.00 178.00 178.63 1ppx h VAL 122 N 0.66 1.47 0.00 3.15 2.07 -1.97 -3.31 116.25 118.32 1ppx h VAL 122 Ca 0.53 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1ppx h VAL 122 Cb 0.82 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1ppx h VAL 122 CO -0.39 0.46 -0.29 0.40 0.02 0.00 0.00 177.57 177.76 1ppx h ILE 123 N -0.89 1.20 -0.35 4.57 1.08 -1.34 -2.36 117.51 119.42 1ppx h ILE 123 Ca -0.00 -1.01 0.10 0.00 -0.39 0.00 0.00 64.86 63.55 1ppx h ILE 123 Cb 0.77 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 1ppx h ILE 123 CO 0.00 0.29 0.25 0.00 -0.69 0.00 0.00 178.15 178.01 1ppx h ALA 124 N 1.71 2.32 0.09 1.87 0.00 0.21 1.67 119.26 127.13 1ppx h ALA 124 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ppx h ALA 124 Cb 0.53 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ppx h ALA 124 CO 0.04 -0.43 -0.52 0.87 0.00 0.00 0.00 179.25 179.21 1ppx h LYS 125 N 0.00 0.19 0.00 0.00 1.57 -1.52 -3.30 116.57 113.50 1ppx h LYS 125 Ca 0.17 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1ppx h LYS 125 Cb 0.67 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1ppx h LYS 125 CO -0.00 1.15 -0.58 1.25 -0.57 0.00 0.00 179.45 180.70 1ppx h LEU 126 N -0.61 0.00 -0.77 2.94 5.85 -1.35 -3.26 115.31 118.11 1ppx h LEU 126 Ca -0.09 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1ppx h LEU 126 Cb 1.41 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 1ppx h LEU 126 CO 0.09 0.58 0.49 0.50 -0.34 0.00 0.00 178.44 179.76 1ppx h LYS 127 N 0.00 0.91 0.00 1.25 3.64 0.23 0.37 116.57 122.97 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 1.36 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ppx h LYS 127 CO 0.08 0.60 0.00 -2.13 -2.27 0.00 0.00 179.45 175.73 1ppx n ARG 128 N -4.63 0.23 -0.22 1.90 3.00 -1.23 -4.85 116.66 110.87 1ppx n ARG 128 Ca 0.09 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1ppx n ARG 128 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91