#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 2.60 0.00 3.17 2.20 -0.39 -5.01 119.74 122.32 1ppx s LYS 2 Ca 0.00 -1.57 -0.20 0.00 -0.36 0.00 0.00 55.97 53.84 1ppx s LYS 2 Cb 0.00 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1ppx s LYS 2 CO 0.00 -1.06 0.59 -1.59 -0.36 0.00 0.00 175.35 172.93 1ppx s LYS 3 N 1.42 4.30 -0.11 4.03 -2.85 -1.26 -1.47 119.74 123.80 1ppx s LYS 3 Ca 0.04 0.72 -0.05 0.00 -1.00 0.00 0.00 55.97 55.68 1ppx s LYS 3 Cb -0.24 -3.33 0.05 0.00 -2.06 0.00 0.00 37.83 32.24 1ppx s LYS 3 CO 0.01 0.40 0.23 -0.48 0.10 0.00 0.00 175.35 175.61 1ppx s LEU 4 N -0.28 0.25 0.16 2.77 0.05 0.29 -4.91 118.68 117.00 1ppx s LEU 4 Ca 0.31 0.50 0.04 0.00 0.05 0.00 0.00 54.13 55.03 1ppx s LEU 4 Cb -0.18 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.58 1ppx s LEU 4 CO 0.17 -0.19 0.21 -1.10 -0.55 0.00 0.00 176.35 174.90 1ppx s GLN 5 N 1.59 3.18 -0.11 1.48 -0.21 -1.26 -0.74 119.66 123.59 1ppx s GLN 5 Ca -0.06 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 1ppx s GLN 5 Cb -0.11 -2.81 0.05 0.00 1.00 0.00 0.00 33.01 31.14 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 -1.75 -0.13 -0.12 1.08 -1.09 0.37 -3.80 121.20 115.76 1ppx s ILE 6 Ca 0.33 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1ppx s ILE 6 Cb -0.11 -0.38 0.02 0.00 -1.58 0.00 0.00 42.46 40.41 1ppx s ILE 6 CO 0.26 0.08 -0.16 0.00 -1.23 0.00 0.00 174.94 173.89 1ppx s ALA 7 N 1.55 1.80 0.21 9.38 0.00 -1.11 0.15 121.76 133.73 1ppx s ALA 7 Ca -0.07 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1ppx s ALA 7 Cb -0.11 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1ppx s ALA 7 CO -0.08 -0.11 -0.06 0.14 0.00 0.00 0.00 175.76 175.64 1ppx s VAL 8 N 1.03 1.27 -0.18 0.00 -7.23 0.32 -3.80 120.40 111.80 1ppx s VAL 8 Ca -0.05 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 1ppx s VAL 8 Cb -0.15 -2.15 0.08 0.00 0.56 0.00 0.00 36.38 34.72 1ppx s VAL 8 CO -0.03 -0.50 0.41 -0.83 -0.31 0.00 0.00 175.10 173.84 1ppx s GLY 9 N -3.28 -0.34 -0.35 2.32 0.00 -1.22 0.11 107.32 104.56 1ppx s GLY 9 Ca 0.24 1.48 -0.29 0.00 0.00 0.00 0.00 44.72 46.16 1ppx s GLY 9 CO 0.06 2.12 1.64 -1.50 0.00 0.00 0.00 173.10 175.42 1ppx s ILE 10 N 2.16 3.66 0.00 0.90 2.07 -1.07 -4.67 121.20 124.25 1ppx s ILE 10 Ca -0.04 0.67 -0.30 0.00 -1.41 0.00 0.00 60.65 59.57 1ppx s ILE 10 Cb -0.11 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 38.57 1ppx s ILE 10 CO -0.13 -0.53 1.35 -0.63 -1.91 0.00 0.00 174.94 173.09 1ppx s ILE 11 N 6.18 3.79 -0.17 2.00 1.01 -1.26 -2.67 121.20 130.08 1ppx s ILE 11 Ca 0.72 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 62.39 1ppx s ILE 11 Cb -0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1ppx s ILE 11 CO 0.33 0.01 0.45 -0.13 0.00 0.00 0.00 174.94 175.60 1ppx s ARG 12 N 2.16 4.24 0.16 2.79 1.81 -1.25 -2.61 118.95 126.25 1ppx s ARG 12 Ca 0.62 0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 54.95 1ppx s ARG 12 Cb -0.31 -3.50 0.03 0.00 -0.45 0.00 0.00 34.95 30.73 1ppx s ARG 12 CO 0.26 0.01 0.22 -1.71 -0.68 0.00 0.00 175.30 173.41 1ppx n ASN 13 N 4.24 0.22 0.00 0.23 5.15 0.49 -3.09 115.26 122.50 1ppx n ASN 13 Ca -0.07 -1.20 0.14 0.00 -0.60 0.00 0.00 54.58 52.84 1ppx n ASN 13 Cb 0.51 -0.15 0.78 0.00 -0.53 0.00 0.00 39.78 40.39 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ppx n GLU 14 N -1.43 0.70 -2.63 1.20 2.13 -1.26 -3.73 120.64 115.61 1ppx n GLU 14 Ca 0.03 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.74 1ppx n GLU 14 Cb 0.12 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.35 1ppx n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ppx n ASN 15 N -1.11 2.08 -2.02 4.31 2.85 -1.26 -4.94 115.26 115.17 1ppx n ASN 15 Ca 0.18 -2.92 -0.06 0.00 -0.11 0.00 0.00 54.58 51.68 1ppx n ASN 15 Cb 0.14 -0.52 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1ppx n ASN 16 N -0.14 -2.04 -4.59 1.20 0.23 -1.24 -4.88 115.26 103.80 1ppx n ASN 16 Ca 0.15 0.28 -0.30 0.00 -0.53 0.00 0.00 54.58 54.19 1ppx n ASN 16 Cb 0.78 -1.93 -0.09 0.00 -2.08 0.00 0.00 39.78 36.46 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 -4.13 2.18 0.05 -3.83 -1.05 -1.26 -3.69 118.70 106.98 1ppx s GLU 17 Ca 0.00 -1.01 0.08 0.00 -0.15 0.00 0.00 54.97 53.89 1ppx s GLU 17 Cb 0.00 -2.33 -0.03 0.00 -0.44 0.00 0.00 34.13 31.33 1ppx s GLU 17 CO 0.00 0.51 -0.24 -1.50 0.95 0.00 0.00 175.26 174.98 1ppx s ILE 18 N -1.26 1.94 -0.95 1.83 -1.16 0.33 0.18 121.20 122.11 1ppx s ILE 18 Ca 0.22 -1.32 -0.22 0.00 -0.51 0.00 0.00 60.65 58.82 1ppx s ILE 18 Cb -0.11 -1.67 0.07 0.00 0.61 0.00 0.00 42.46 41.35 1ppx s ILE 18 CO 0.15 0.29 1.34 0.12 -2.81 0.00 0.00 174.94 174.02 1ppx s PHE 19 N -0.81 2.64 0.30 3.50 5.36 -1.07 -2.12 117.98 125.77 1ppx s PHE 19 Ca 0.10 -0.87 0.05 0.00 -0.96 0.00 0.00 56.93 55.25 1ppx s PHE 19 Cb -0.09 -4.58 -0.02 0.00 -0.34 0.00 0.00 43.02 37.98 1ppx s PHE 19 CO 0.02 -1.84 0.44 0.96 -1.46 0.00 0.00 175.22 173.34 1ppx s ILE 20 N 4.50 4.71 -0.29 3.12 -4.36 -1.21 -4.58 121.20 123.08 1ppx s ILE 20 Ca 0.41 -0.90 -0.03 0.00 -0.26 0.00 0.00 60.65 59.87 1ppx s ILE 20 Cb -0.03 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 40.06 1ppx s ILE 20 CO -0.06 -0.29 0.01 0.42 0.24 0.00 0.00 174.94 175.25 1ppx s THR 21 N -2.13 3.19 -1.13 8.37 -4.23 0.30 -3.35 115.64 116.66 1ppx s THR 21 Ca 0.40 -1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 59.58 1ppx s THR 21 Cb -0.09 -2.75 0.14 0.00 1.34 0.00 0.00 72.50 71.14 1ppx s THR 21 CO 0.31 -0.01 1.40 -0.13 -0.54 0.00 0.00 174.62 175.65 1ppx s ARG 22 N 1.32 3.91 -1.63 3.99 0.52 -1.26 -1.34 118.95 124.46 1ppx s ARG 22 Ca -0.02 -2.16 -0.12 0.00 -0.52 0.00 0.00 55.73 52.90 1ppx s ARG 22 Cb -0.19 -5.11 0.11 0.00 0.52 0.00 0.00 34.95 30.28 1ppx s ARG 22 CO -0.01 -1.87 0.59 -2.13 0.02 0.00 0.00 175.30 171.89 1ppx n ARG 23 N 6.53 -2.72 -1.10 3.54 3.00 -1.26 0.14 116.66 124.80 1ppx n ARG 23 Ca 0.35 0.33 -0.03 0.00 -0.00 0.00 0.00 57.85 58.49 1ppx n ARG 23 Cb 0.46 -4.75 -0.01 0.00 0.00 0.00 0.00 32.46 28.16 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ppx n ALA 24 N -4.38 -0.05 -1.55 5.13 0.00 -1.26 -2.73 120.51 115.67 1ppx n ALA 24 Ca -0.07 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1ppx n ALA 24 Cb 0.56 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 1.06 -0.28 0.00 0.00 0.00 0.38 -4.37 120.51 117.30 1ppx n ALA 25 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ppx n ALA 25 Cb 0.37 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1ppx n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ppx n ASP 26 N -0.89 0.00 0.00 0.00 8.00 -1.10 -5.10 116.55 117.45 1ppx n ASP 26 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1ppx n ASP 26 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ppx n ALA 27 N 0.00 0.00 -0.33 2.24 0.00 -1.24 -5.10 120.51 116.07 1ppx n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ppx n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ppx n HIS 28 N -0.86 -0.27 -1.72 0.00 8.25 -1.26 -5.05 115.22 114.31 1ppx n HIS 28 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1ppx n HIS 28 Cb 0.00 0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ppx s MET 29 N -0.67 1.58 0.00 -0.41 -1.94 -1.26 -4.69 119.30 111.91 1ppx s MET 29 Ca 0.00 -0.43 0.15 0.00 -1.71 0.00 0.00 55.69 53.70 1ppx s MET 29 Cb 0.00 -5.01 0.68 0.00 2.01 0.00 0.00 34.83 32.51 1ppx s MET 29 CO 0.00 -4.93 1.47 0.00 -0.01 0.00 0.00 175.02 171.55 1ppx n ALA 30 N 18.18 1.73 -0.01 3.03 0.00 -1.26 -2.60 120.51 139.58 1ppx n ALA 30 Ca 0.43 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.84 1ppx n ALA 30 Cb 0.46 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.88 1ppx n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 31 N -1.45 3.52 -0.88 0.00 4.13 -1.24 -3.97 115.26 115.38 1ppx n ASN 31 Ca 0.05 -2.51 0.02 0.00 1.68 0.00 0.00 54.58 53.82 1ppx n ASN 31 Cb 0.16 -0.60 0.21 0.00 -1.54 0.00 0.00 39.78 38.01 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ppx n LYS 32 N 0.31 1.99 -1.54 3.52 4.01 -0.64 -1.64 118.16 124.18 1ppx n LYS 32 Ca 0.15 -3.04 -0.21 0.00 -0.51 0.00 0.00 58.31 54.70 1ppx n LYS 32 Cb 0.77 -1.76 -0.12 0.00 -0.51 0.00 0.00 35.03 33.41 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1ppx n LEU 33 N -1.02 0.75 0.00 -0.35 7.94 0.13 -4.32 117.00 120.12 1ppx n LEU 33 Ca 0.26 -0.93 -0.18 0.00 -1.11 0.00 0.00 56.01 54.05 1ppx n LEU 33 Cb 0.90 -1.24 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1ppx n LEU 33 CO 0.13 -1.97 -0.12 1.21 -1.11 0.00 0.00 177.39 175.53 1ppx n GLU 34 N 7.80 0.79 -4.56 1.96 2.13 -0.45 -4.00 120.64 124.31 1ppx n GLU 34 Ca 0.54 -2.36 -0.27 0.00 0.66 0.00 0.00 57.16 55.73 1ppx n GLU 34 Cb 0.32 1.15 -0.11 0.00 0.27 0.00 0.00 31.44 33.08 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ppx s PHE 35 N -2.51 2.49 1.06 4.31 -0.71 -1.26 0.11 117.98 121.46 1ppx s PHE 35 Ca 0.11 -0.60 -0.21 0.00 -1.04 0.00 0.00 56.93 55.19 1ppx s PHE 35 Cb 0.01 -1.65 -0.01 0.00 -1.21 0.00 0.00 43.02 40.15 1ppx s PHE 35 CO 0.08 0.48 -0.50 -0.35 -1.34 0.00 0.00 175.22 173.59 1ppx n PRO 36 N -0.93 -0.87 0.00 1.99 -0.04 -1.26 -4.76 135.00 129.13 1ppx n PRO 36 Ca -0.05 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1ppx n PRO 36 Cb 0.66 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 2.86 0.55 0.00 -1.25 -3.46 105.19 107.25 1ppx n GLY 37 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 0.99 0.00 -0.02 0.00 -1.25 -2.76 107.32 102.59 1ppx s GLY 38 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1ppx s GLY 38 CO 0.00 1.08 0.00 1.17 0.00 0.00 0.00 173.10 175.35 1ppx n LYS 39 N 4.86 0.00 -0.19 2.90 4.81 -1.26 -4.98 118.16 124.29 1ppx n LYS 39 Ca -0.11 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.63 1ppx n LYS 39 Cb 0.46 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.24 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 0.48 0.00 3.15 3.07 -1.82 -3.00 117.51 119.39 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 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 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 -4.17 0.00 0.00 0.16 0.28 -1.25 -4.41 120.64 111.26 1ppx n GLU 41 Ca 0.19 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 1ppx n GLU 41 Cb 1.02 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.88 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 -0.96 0.00 -0.92 3.44 2.81 -1.14 -2.54 117.12 117.82 1ppx n MET 42 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1ppx n MET 42 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -0.43 0.00 3.03 0.00 -1.26 -5.13 105.19 101.39 1ppx n GLY 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.07 0.91 -3.78 1.61 4.71 -1.05 -5.08 120.64 117.89 1ppx n GLU 44 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.86 1ppx n GLU 44 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.79 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 0.61 5.24 0.61 2.62 2.01 -1.26 -4.73 115.64 120.72 1ppx s THR 45 Ca 0.00 -0.57 0.26 0.00 0.31 0.00 0.00 61.69 61.68 1ppx s THR 45 Cb 0.00 -3.77 0.36 0.00 0.01 0.00 0.00 72.50 69.10 1ppx s THR 45 CO 0.00 -0.22 1.47 1.55 -0.69 0.00 0.00 174.62 176.73 1ppx h PRO 46 N 1.75 0.00 0.00 4.92 0.13 -1.99 1.50 132.00 138.31 1ppx h PRO 46 Ca -0.49 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1ppx h PRO 46 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1ppx h PRO 46 CO 0.66 0.00 -2.50 0.39 -0.23 0.00 0.00 178.00 176.32 1ppx n GLU 47 N -3.31 0.60 0.00 0.86 4.71 -1.26 -4.46 120.64 117.78 1ppx n GLU 47 Ca 0.17 0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.71 1ppx n GLU 47 Cb 1.21 -1.51 0.69 0.00 -1.01 0.00 0.00 31.44 30.83 1ppx n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ppx n GLN 48 N -4.09 0.25 0.31 3.49 6.02 -0.47 -3.21 117.38 119.67 1ppx n GLN 48 Ca -0.53 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.30 1ppx n GLN 48 Cb 0.90 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 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 3.25 -0.78 0.14 -1.58 0.00 0.18 -2.70 119.26 117.77 1ppx h ALA 49 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 1ppx h ALA 49 Cb 0.38 0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ppx h ALA 49 CO 0.00 -0.85 -1.21 -0.24 0.00 0.00 0.00 179.25 176.96 1ppx h VAL 50 N -0.96 1.31 -0.99 0.00 3.04 -1.79 -2.89 116.25 113.97 1ppx h VAL 50 Ca -0.08 -2.48 0.22 0.00 -1.01 0.00 0.00 66.70 63.35 1ppx h VAL 50 Cb 0.65 2.80 -0.09 0.00 -2.01 0.00 0.00 31.29 32.65 1ppx h VAL 50 CO 0.13 0.75 0.63 0.58 -1.01 0.00 0.00 177.57 178.64 1ppx h VAL 51 N 0.16 0.63 0.01 1.51 2.07 -1.64 1.80 116.25 120.80 1ppx h VAL 51 Ca -0.19 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ppx h VAL 51 Cb 1.90 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1ppx h VAL 51 CO 0.23 0.10 -0.01 -0.09 0.02 0.00 0.00 177.57 177.82 1ppx h ARG 52 N 0.53 -0.02 0.00 1.57 2.43 -1.55 -3.29 114.38 114.05 1ppx h ARG 52 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1ppx h ARG 52 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1ppx h ARG 52 CO -0.29 0.71 0.00 1.49 -1.51 0.00 0.00 179.97 180.36 1ppx h GLU 53 N -0.96 0.00 -0.55 0.20 4.22 -1.18 -2.77 114.58 113.54 1ppx h GLU 53 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ppx h GLU 53 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1ppx h GLU 53 CO 0.00 0.00 0.34 1.25 -2.18 0.00 0.00 179.01 178.43 1ppx h LEU 54 N 0.00 0.64 -0.93 1.64 5.85 0.27 -0.82 115.31 121.96 1ppx h LEU 54 Ca 0.00 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1ppx h LEU 54 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ppx h LEU 54 CO 0.00 0.49 -0.46 -0.61 -0.34 0.00 0.00 178.44 177.53 1ppx h GLN 55 N 0.74 0.00 0.00 1.25 -0.00 -1.59 -0.87 115.11 114.63 1ppx h GLN 55 Ca 0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.77 1ppx h GLN 55 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 1ppx h GLN 55 CO -0.04 0.46 -0.37 1.49 0.00 0.00 0.00 178.83 180.37 1ppx h GLU 56 N 0.00 0.00 -0.31 1.69 4.81 -1.27 0.93 114.58 120.42 1ppx h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ppx h GLU 56 Cb 0.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1ppx h GLU 56 CO 0.06 0.37 0.00 -1.91 -0.73 0.00 0.00 179.01 176.80 1ppx n GLU 57 N -3.83 2.28 0.00 1.92 4.07 -0.40 0.13 120.64 124.81 1ppx n GLU 57 Ca -0.01 -1.94 0.00 0.00 -0.06 0.00 0.00 57.16 55.14 1ppx n GLU 57 Cb 0.44 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 1ppx n GLU 57 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1ppx n VAL 58 N 0.79 0.00 0.00 6.31 3.14 -0.36 -3.99 118.33 124.22 1ppx n VAL 58 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1ppx n VAL 58 Cb 0.44 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppx n GLY 59 N 2.32 0.39 1.65 7.55 0.00 0.32 -0.13 105.19 117.28 1ppx n GLY 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -3.75 -0.61 -6.64 -1.26 -4.87 119.36 102.24 1ppx n ILE 60 Ca 0.00 -0.47 -0.35 0.00 -1.77 0.00 0.00 62.75 60.16 1ppx n ILE 60 Cb 0.00 -1.66 -0.10 0.00 -1.44 0.00 0.00 39.64 36.44 1ppx n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1ppx s THR 61 N -2.02 3.61 -0.00 7.28 -4.23 -1.26 -5.00 115.64 114.02 1ppx s THR 61 Ca 0.31 -3.18 0.03 0.00 -1.18 0.00 0.00 61.69 57.67 1ppx s THR 61 Cb -0.01 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1ppx s THR 61 CO 0.22 -0.90 -0.06 -2.16 -0.54 0.00 0.00 174.62 171.18 1ppx s PRO 62 N -0.32 2.58 -1.24 3.99 0.04 -1.26 -3.24 135.00 135.54 1ppx s PRO 62 Ca 0.19 -0.70 -0.20 0.00 0.04 0.00 0.00 61.00 60.32 1ppx s PRO 62 Cb -0.19 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 1ppx s PRO 62 CO -0.04 0.61 1.84 -0.65 0.04 0.00 0.00 177.00 178.80 1ppx s GLN 63 N -1.38 3.20 -0.07 4.56 -0.21 -0.56 -4.84 119.66 120.36 1ppx s GLN 63 Ca 0.17 -1.57 0.04 0.00 0.02 0.00 0.00 55.36 54.03 1ppx s GLN 63 Cb -0.11 -5.38 -0.00 0.00 1.00 0.00 0.00 33.01 28.51 1ppx s GLN 63 CO 0.07 -3.18 -0.20 -1.58 -2.12 0.00 0.00 175.29 168.28 1ppx s HIS 64 N 7.84 2.10 0.00 0.91 2.46 -1.23 -0.07 115.29 127.30 1ppx s HIS 64 Ca 0.62 -0.71 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1ppx s HIS 64 Cb 0.02 -1.41 0.00 0.00 -0.13 0.00 0.00 32.58 31.06 1ppx s HIS 64 CO 0.11 -0.26 0.00 0.34 -2.47 0.00 0.00 174.74 172.46 1ppx n PHE 65 N 3.28 0.00 -1.26 3.88 -0.00 -1.25 -4.95 117.46 117.16 1ppx n PHE 65 Ca -0.19 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.40 1ppx n PHE 65 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.93 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ppx n SER 66 N 0.00 -6.21 -4.02 -2.13 7.64 -1.24 -2.20 113.62 105.46 1ppx n SER 66 Ca 0.00 1.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.74 1ppx n SER 66 Cb 0.00 -4.29 -0.15 0.00 -1.01 0.00 0.00 64.21 58.75 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 -6.79 3.02 -0.10 -3.43 0.20 -1.26 -0.28 118.68 110.05 1ppx s LEU 67 Ca 0.00 -1.26 -0.24 0.00 0.69 0.00 0.00 54.13 53.32 1ppx s LEU 67 Cb 0.00 -1.40 -0.20 0.00 -0.43 0.00 0.00 46.19 44.16 1ppx s LEU 67 CO 0.00 -0.20 0.79 0.15 -0.29 0.00 0.00 176.35 176.81 1ppx h PHE 68 N 7.85 -0.04 -1.43 5.38 3.57 -1.66 -3.43 116.94 127.18 1ppx h PHE 68 Ca -0.20 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.42 1ppx h PHE 68 Cb 1.06 0.01 -0.28 0.00 2.79 0.00 0.00 35.95 39.53 1ppx h PHE 68 CO 0.58 0.63 0.49 -1.21 -2.23 0.00 0.00 178.31 176.57 1ppx s GLU 69 N -2.76 0.32 -0.08 1.11 2.02 -0.78 -5.00 118.70 113.54 1ppx s GLU 69 Ca -0.15 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.40 1ppx s GLU 69 Cb -0.01 0.08 -0.00 0.00 0.10 0.00 0.00 34.13 34.30 1ppx s GLU 69 CO 0.56 -0.06 -0.22 -1.59 0.02 0.00 0.00 175.26 173.97 1ppx s LYS 70 N 1.07 2.60 0.25 1.61 -2.85 -1.26 -1.28 119.74 119.88 1ppx s LYS 70 Ca -0.06 -0.79 0.10 0.00 -1.00 0.00 0.00 55.97 54.21 1ppx s LYS 70 Cb -0.04 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.63 1ppx s LYS 70 CO -0.13 0.22 -0.06 -0.48 0.10 0.00 0.00 175.35 175.00 1ppx s LEU 71 N 0.23 3.05 -0.17 2.77 0.05 0.65 -4.95 118.68 120.30 1ppx s LEU 71 Ca -0.13 -0.69 -0.05 0.00 0.05 0.00 0.00 54.13 53.31 1ppx s LEU 71 Cb -0.16 -1.60 0.06 0.00 -2.05 0.00 0.00 46.19 42.44 1ppx s LEU 71 CO 0.06 0.03 0.09 -0.70 -0.55 0.00 0.00 176.35 175.29 1ppx s GLU 72 N -3.45 0.07 0.06 1.48 2.12 -1.26 -2.43 118.70 115.28 1ppx s GLU 72 Ca 0.30 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.56 1ppx s GLU 72 Cb -0.07 -1.80 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 1ppx s GLU 72 CO 0.18 -0.68 -0.07 -0.47 -0.54 0.00 0.00 175.26 173.68 1ppx s TYR 73 N 2.14 0.73 -0.12 5.30 6.14 -1.22 -5.05 117.35 125.28 1ppx s TYR 73 Ca 0.02 -0.64 0.03 0.00 0.64 0.00 0.00 57.07 57.13 1ppx s TYR 73 Cb -0.16 -0.43 0.01 0.00 0.42 0.00 0.00 41.96 41.79 1ppx s TYR 73 CO -0.10 -0.11 -0.22 -1.83 0.64 0.00 0.00 175.55 173.94 1ppx s GLU 74 N -2.30 2.89 0.47 4.97 -1.05 -1.26 -2.22 118.70 120.19 1ppx s GLU 74 Ca -0.03 -0.81 -0.01 0.00 -0.15 0.00 0.00 54.97 53.96 1ppx s GLU 74 Cb -0.05 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1ppx s GLU 74 CO -0.01 0.05 0.71 -0.06 0.95 0.00 0.00 175.26 176.90 1ppx s PHE 75 N 0.65 3.27 -0.12 4.83 0.08 0.29 -4.88 117.98 122.10 1ppx s PHE 75 Ca -0.12 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 1ppx s PHE 75 Cb -0.16 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 1ppx s PHE 75 CO 0.02 -0.40 1.05 -2.30 -0.10 0.00 0.00 175.22 173.50 1ppx n PRO 76 N -2.16 0.00 -1.34 0.24 -0.02 -1.26 0.20 135.00 130.66 1ppx n PRO 76 Ca 0.01 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.42 1ppx n PRO 76 Cb 0.57 -0.91 -0.03 0.00 -0.02 0.00 0.00 33.50 33.11 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ppx n ASP 77 N 4.23 -3.80 -3.56 2.55 9.92 -1.26 -4.98 116.55 119.65 1ppx n ASP 77 Ca 0.08 0.17 -0.29 0.00 -0.53 0.00 0.00 54.79 54.22 1ppx n ASP 77 Cb 0.41 -2.13 -0.13 0.00 -0.64 0.00 0.00 41.12 38.63 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ppx s ARG 78 N -2.87 0.59 -0.68 -1.24 3.52 0.54 -1.26 118.95 117.55 1ppx s ARG 78 Ca 0.00 -1.20 -0.27 0.00 -0.13 0.00 0.00 55.73 54.14 1ppx s ARG 78 Cb 0.00 -1.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1ppx s ARG 78 CO 0.00 -1.12 1.57 -1.58 -0.81 0.00 0.00 175.30 173.36 1ppx s HIS 79 N 1.29 1.97 -0.37 5.12 5.65 -0.54 0.10 115.29 128.52 1ppx s HIS 79 Ca 0.15 0.37 -0.12 0.00 0.25 0.00 0.00 55.06 55.70 1ppx s HIS 79 Cb -0.21 -4.36 0.01 0.00 -1.18 0.00 0.00 32.58 26.85 1ppx s HIS 79 CO -0.12 -2.19 0.23 -1.50 -0.65 0.00 0.00 174.74 170.50 1ppx s ILE 80 N 7.41 4.87 -0.17 0.89 2.07 -0.94 0.10 121.20 135.43 1ppx s ILE 80 Ca 0.51 -0.63 -0.09 0.00 -1.41 0.00 0.00 60.65 59.02 1ppx s ILE 80 Cb -0.10 -3.64 -0.05 0.00 0.13 0.00 0.00 42.46 38.80 1ppx s ILE 80 CO 0.18 -0.17 0.14 -0.89 -1.91 0.00 0.00 174.94 172.29 1ppx s THR 81 N 1.62 5.43 -0.19 4.00 2.01 0.08 -3.42 115.64 125.17 1ppx s THR 81 Ca 0.04 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1ppx s THR 81 Cb -0.18 -3.46 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ppx s THR 81 CO 0.08 0.50 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 1ppx s LEU 82 N -0.08 2.06 -0.18 4.42 1.98 -1.02 0.14 118.68 125.99 1ppx s LEU 82 Ca 0.11 -0.83 -0.03 0.00 -2.89 0.00 0.00 54.13 50.48 1ppx s LEU 82 Cb -0.11 -1.11 -0.02 0.00 0.66 0.00 0.00 46.19 45.60 1ppx s LEU 82 CO 0.00 -0.17 -0.05 0.26 -1.89 0.00 0.00 176.35 174.51 1ppx s TRP 83 N 1.48 2.96 -0.24 5.38 0.51 0.12 -0.25 118.94 128.91 1ppx s TRP 83 Ca -0.01 -0.60 -0.05 0.00 -2.12 0.00 0.00 56.10 53.32 1ppx s TRP 83 Cb -0.16 -2.01 -0.00 0.00 -0.81 0.00 0.00 33.47 30.49 1ppx s TRP 83 CO -0.08 -0.28 -0.01 -0.06 -0.51 0.00 0.00 176.95 176.01 1ppx s PHE 84 N 0.86 3.03 0.10 -1.98 0.40 -0.40 0.12 117.98 120.11 1ppx s PHE 84 Ca -0.01 -0.98 -0.05 0.00 -0.60 0.00 0.00 56.93 55.29 1ppx s PHE 84 Cb -0.15 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1ppx s PHE 84 CO 0.01 -0.56 0.33 -1.58 0.70 0.00 0.00 175.22 174.13 1ppx s TRP 85 N 1.48 3.50 -0.50 0.36 0.52 0.30 -1.86 118.94 122.74 1ppx s TRP 85 Ca 0.04 0.52 -0.16 0.00 0.02 0.00 0.00 56.10 56.53 1ppx s TRP 85 Cb -0.15 -1.97 0.10 0.00 -1.15 0.00 0.00 33.47 30.29 1ppx s TRP 85 CO -0.02 0.49 0.45 -1.17 0.02 0.00 0.00 176.95 176.72 1ppx s LEU 86 N -2.45 5.84 0.34 2.99 1.98 0.62 -2.60 118.68 125.40 1ppx s LEU 86 Ca 0.37 -1.51 -0.24 0.00 -2.89 0.00 0.00 54.13 49.87 1ppx s LEU 86 Cb -0.13 -2.20 -0.10 0.00 0.66 0.00 0.00 46.19 44.42 1ppx s LEU 86 CO 0.23 -0.74 0.92 -0.69 -1.89 0.00 0.00 176.35 174.18 1ppx s VAL 87 N 1.66 4.30 -0.04 1.68 1.01 -1.09 -3.60 120.40 124.31 1ppx s VAL 87 Ca 0.04 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.76 1ppx s VAL 87 Cb -0.26 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1ppx s VAL 87 CO 0.05 0.03 0.09 -1.84 0.00 0.00 0.00 175.10 173.43 1ppx n GLU 88 N 0.26 1.66 -3.57 2.72 0.00 -1.13 -3.82 120.64 116.76 1ppx n GLU 88 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 57.16 57.06 1ppx n GLU 88 Cb 0.51 -1.17 -0.02 0.00 0.00 0.00 0.00 31.44 30.76 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 -2.32 1.27 -0.26 3.44 3.52 0.90 -4.60 118.95 120.90 1ppx s ARG 89 Ca -0.03 -0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 1ppx s ARG 89 Cb 0.03 0.52 0.10 0.00 -1.56 0.00 0.00 34.95 34.05 1ppx s ARG 89 CO 0.29 -0.57 0.58 1.67 -0.81 0.00 0.00 175.30 176.46 1ppx s TRP 90 N -3.59 -1.06 0.29 5.12 -2.14 -1.18 -1.50 118.94 114.88 1ppx s TRP 90 Ca 0.05 1.98 -0.29 0.00 2.66 0.00 0.00 56.10 60.50 1ppx s TRP 90 Cb -0.02 0.59 -0.10 0.00 -3.10 0.00 0.00 33.47 30.84 1ppx s TRP 90 CO -0.06 -0.55 1.14 -1.21 -2.66 0.00 0.00 176.95 173.61 1ppx s GLU 91 N 2.33 4.59 6.84 3.25 0.41 -1.20 -4.76 118.70 130.15 1ppx s GLU 91 Ca -0.07 1.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.38 1ppx s GLU 91 Cb -0.10 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 1ppx s GLU 91 CO -0.17 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 1ppx n GLY 92 N 1.12 3.98 3.07 -1.39 0.00 -1.26 -4.60 105.19 106.10 1ppx n GLY 92 Ca -0.01 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.81 0.03 1.61 2.02 -1.26 -5.12 118.70 116.79 1ppx s GLU 93 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 1ppx s GLU 93 Cb 0.00 -0.78 -0.05 0.00 0.10 0.00 0.00 34.13 33.40 1ppx s GLU 93 CO 0.00 0.20 1.17 -2.14 0.02 0.00 0.00 175.26 174.52 1ppx s PRO 94 N -0.63 4.43 0.15 0.39 0.02 -1.26 -4.68 135.00 133.41 1ppx s PRO 94 Ca 0.02 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1ppx s PRO 94 Cb -0.06 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1ppx s PRO 94 CO 0.00 -0.28 0.00 -2.67 -0.33 0.00 0.00 177.00 173.72 1ppx n TRP 95 N 4.25 -0.81 0.00 6.54 4.27 0.81 -4.97 117.44 127.52 1ppx n TRP 95 Ca 0.09 0.14 0.00 0.00 -3.89 0.00 0.00 57.50 53.84 1ppx n TRP 95 Cb 0.47 0.20 0.00 0.00 -1.36 0.00 0.00 31.31 30.62 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 2.82 0.54 0.00 -1.67 0.00 0.35 -3.51 105.19 103.71 1ppx n GLY 96 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.26 1.61 4.81 0.35 -4.71 118.16 119.96 1ppx n LYS 97 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1ppx n LYS 97 Cb 0.00 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.34 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 0.89 0.00 1.64 4.11 -1.75 -3.47 114.58 116.01 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 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1ppx h GLU 98 CO 0.00 0.59 0.00 0.41 0.07 0.00 0.00 179.01 180.08 1ppx n GLY 99 N -1.41 0.68 2.49 1.06 0.00 -1.26 -5.02 105.19 101.72 1ppx n GLY 99 Ca 0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ppx n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ppx s GLN 100 N -0.40 0.43 0.21 1.61 0.00 -1.26 -4.82 119.66 115.42 1ppx s GLN 100 Ca 0.00 -1.05 -0.29 0.00 -0.00 0.00 0.00 55.36 54.02 1ppx s GLN 100 Cb 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 33.01 31.61 1ppx s GLN 100 CO 0.00 -1.15 0.76 -2.30 0.00 0.00 0.00 175.29 172.60 1ppx n PRO 101 N 4.45 0.49 -4.40 9.60 -0.02 -1.26 -4.65 135.00 139.21 1ppx n PRO 101 Ca 0.06 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1ppx n PRO 101 Cb 0.39 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.72 2.38 0.05 -1.23 0.00 -1.26 -4.33 107.32 102.21 1ppx s GLY 102 Ca 0.65 -1.61 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1ppx s GLY 102 CO 0.57 -1.67 0.01 1.85 0.00 0.00 0.00 173.10 173.86 1ppx s GLU 103 N -3.67 0.57 -0.58 2.90 2.56 -1.21 -4.94 118.70 114.32 1ppx s GLU 103 Ca 0.32 -0.99 -0.28 0.00 0.00 0.00 0.00 54.97 54.01 1ppx s GLU 103 Cb 0.03 0.21 0.03 0.00 2.00 0.00 0.00 34.13 36.40 1ppx s GLU 103 CO 0.19 -0.12 1.21 -1.58 -0.56 0.00 0.00 175.26 174.40 1ppx s TRP 104 N -3.20 2.59 0.31 5.30 0.51 -1.26 -3.36 118.94 119.83 1ppx s TRP 104 Ca 0.00 0.42 0.10 0.00 -2.12 0.00 0.00 56.10 54.51 1ppx s TRP 104 Cb 0.03 -4.51 -0.06 0.00 -0.81 0.00 0.00 33.47 28.12 1ppx s TRP 104 CO -0.07 -1.61 -0.13 0.00 -0.51 0.00 0.00 176.95 174.62 1ppx s MET 105 N 4.98 1.74 -0.33 4.98 0.23 -0.90 -4.82 119.30 125.18 1ppx s MET 105 Ca 0.44 -1.86 -0.29 0.00 -1.03 0.00 0.00 55.69 52.95 1ppx s MET 105 Cb -0.08 -1.68 0.01 0.00 -1.53 0.00 0.00 34.83 31.56 1ppx s MET 105 CO 0.26 0.20 1.21 -1.54 -2.03 0.00 0.00 175.02 173.12 1ppx s SER 106 N -3.56 6.75 0.56 -1.18 1.04 -1.26 0.12 113.70 116.18 1ppx s SER 106 Ca 0.31 1.07 0.37 0.00 0.48 0.00 0.00 55.95 58.19 1ppx s SER 106 Cb -0.00 -2.54 1.90 0.00 0.10 0.00 0.00 66.02 65.48 1ppx s SER 106 CO 0.15 -1.04 2.14 0.25 0.98 0.00 0.00 173.24 175.72 1ppx h LEU 107 N 10.68 0.00 -2.26 2.42 7.12 -1.90 -2.46 115.31 128.90 1ppx h LEU 107 Ca -0.24 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.78 1ppx h LEU 107 Cb 1.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1ppx h LEU 107 CO 1.04 0.00 0.25 1.62 -0.13 0.00 0.00 178.44 181.22 1ppx h VAL 108 N 0.00 0.06 -0.62 1.05 3.04 -1.90 -0.51 116.25 117.38 1ppx h VAL 108 Ca 0.00 0.00 -0.40 0.00 -1.01 0.00 0.00 66.70 65.29 1ppx h VAL 108 Cb 0.15 0.76 -0.25 0.00 -2.01 0.00 0.00 31.29 29.95 1ppx h VAL 108 CO 0.00 0.00 -0.10 0.61 -1.01 0.00 0.00 177.57 177.07 1ppx n GLY 109 N -1.22 5.56 3.77 3.17 0.00 -0.93 -4.97 105.19 110.57 1ppx n GLY 109 Ca -0.01 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 4.31 -0.07 0.99 2.96 -0.20 -5.01 118.68 118.17 1ppx s LEU 110 Ca 0.51 2.90 0.04 0.00 -0.22 0.00 0.00 54.13 57.36 1ppx s LEU 110 Cb 0.43 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 43.40 1ppx s LEU 110 CO 0.01 -0.82 -0.20 0.20 -1.32 0.00 0.00 176.35 174.22 1ppx s ASN 111 N -0.34 2.59 0.29 3.68 0.01 -1.26 -4.94 114.94 114.97 1ppx s ASN 111 Ca 0.53 -0.45 0.25 0.00 -0.71 0.00 0.00 52.86 52.48 1ppx s ASN 111 Cb -0.44 -1.04 0.98 0.00 0.41 0.00 0.00 41.25 41.17 1ppx s ASN 111 CO 0.58 0.14 1.76 0.00 -1.51 0.00 0.00 177.10 178.07 1ppx h ALA 112 N 6.60 1.00 0.02 0.60 0.00 -1.95 -2.81 119.26 122.71 1ppx h ALA 112 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1ppx h ALA 112 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ppx h ALA 112 CO 0.47 0.00 -0.13 -0.44 0.00 0.00 0.00 179.25 179.15 1ppx h ASP 113 N 0.00 0.08 -0.57 0.00 5.19 -1.94 -3.36 116.42 115.82 1ppx h ASP 113 Ca 0.00 -0.93 -0.11 0.00 -0.62 0.00 0.00 57.03 55.37 1ppx h ASP 113 Cb 0.48 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1ppx h ASP 113 CO 0.00 1.01 -0.07 0.44 -3.12 0.00 0.00 179.24 177.49 1ppx h ASP 114 N -0.83 1.05 -4.23 6.45 5.19 -1.84 -3.42 116.42 118.79 1ppx h ASP 114 Ca -0.02 -0.34 -0.45 0.00 -0.62 0.00 0.00 57.03 55.60 1ppx h ASP 114 Cb 1.04 -0.28 0.14 0.00 0.18 0.00 0.00 39.33 40.41 1ppx h ASP 114 CO 0.02 1.14 0.38 0.72 -3.12 0.00 0.00 179.24 178.39 1ppx s PHE 115 N -4.91 2.11 0.02 4.55 -0.71 -1.07 0.19 117.98 118.17 1ppx s PHE 115 Ca -0.12 0.55 -0.30 0.00 -1.04 0.00 0.00 56.93 56.02 1ppx s PHE 115 Cb 0.13 -3.76 -0.05 0.00 -1.21 0.00 0.00 43.02 38.13 1ppx s PHE 115 CO 0.86 -2.40 1.24 -1.25 -1.34 0.00 0.00 175.22 172.33 1ppx s PRO 116 N -5.67 4.38 0.33 1.99 0.04 -0.65 -4.27 135.00 131.15 1ppx s PRO 116 Ca 0.68 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.72 1ppx s PRO 116 Cb -0.08 -3.44 1.19 0.00 0.04 0.00 0.00 34.50 32.21 1ppx s PRO 116 CO 0.52 -0.36 1.67 -0.35 0.04 0.00 0.00 177.00 178.51 1ppx n PRO 117 N 4.51 0.14 0.00 0.56 -0.04 -1.26 -2.13 135.00 136.78 1ppx n PRO 117 Ca 0.10 0.64 0.04 0.00 -0.04 0.00 0.00 63.50 64.24 1ppx n PRO 117 Cb 0.46 -1.97 0.19 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 -1.78 1.40 -2.35 0.55 0.00 -1.26 -2.69 120.51 114.38 1ppx n ALA 118 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ppx n ALA 118 Cb 0.04 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.50 2.95 -0.04 0.00 3.02 -0.90 -4.86 115.26 113.93 1ppx n ASN 119 Ca 0.02 -2.92 -0.13 0.00 -0.03 0.00 0.00 54.58 51.52 1ppx n ASN 119 Cb 0.10 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1ppx h GLU 120 N 2.14 0.24 -0.72 3.52 3.07 -1.70 -1.20 114.58 119.93 1ppx h GLU 120 Ca 0.08 -0.14 0.10 0.00 -0.50 0.00 0.00 59.36 58.90 1ppx h GLU 120 Cb 1.41 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.29 1ppx h GLU 120 CO 0.40 0.72 0.48 -1.35 -1.40 0.00 0.00 179.01 177.85 1ppx h PRO 121 N -0.21 0.56 0.02 2.33 0.11 -1.89 1.50 132.00 134.42 1ppx h PRO 121 Ca 0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ppx h PRO 121 Cb 0.70 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1ppx h PRO 121 CO 0.03 0.37 -0.01 0.28 -0.21 0.00 0.00 178.00 178.46 1ppx h VAL 122 N 0.58 1.46 0.00 3.15 2.07 -1.92 -3.32 116.25 118.26 1ppx h VAL 122 Ca 0.34 -1.89 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 1ppx h VAL 122 Cb 0.53 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1ppx h VAL 122 CO -0.12 0.46 -0.49 0.40 0.02 0.00 0.00 177.57 177.85 1ppx h ILE 123 N -0.90 1.34 -0.38 4.57 1.08 -0.93 -2.82 117.51 119.47 1ppx h ILE 123 Ca -0.00 -1.67 0.11 0.00 -0.39 0.00 0.00 64.86 62.91 1ppx h ILE 123 Cb 0.77 1.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 1ppx h ILE 123 CO 0.00 0.48 0.34 0.00 -0.69 0.00 0.00 178.15 178.28 1ppx h ALA 124 N 1.51 2.18 0.13 1.87 0.00 0.20 1.49 119.26 126.65 1ppx h ALA 124 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ppx h ALA 124 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ppx h ALA 124 CO 0.06 -0.54 -0.06 -0.22 0.00 0.00 0.00 179.25 178.49 1ppx h LYS 125 N 0.00 -0.17 0.00 0.00 3.11 -1.60 -3.07 116.57 114.83 1ppx h LYS 125 Ca 0.18 0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.85 1ppx h LYS 125 Cb 0.86 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.10 1ppx h LYS 125 CO -0.00 0.30 -0.88 1.25 -2.81 0.00 0.00 179.45 177.30 1ppx h LEU 126 N -0.79 0.00 -0.78 5.20 5.85 -1.49 -3.29 115.31 120.02 1ppx h LEU 126 Ca -0.02 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1ppx h LEU 126 Cb 0.54 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1ppx h LEU 126 CO 0.03 0.88 0.48 0.50 -0.34 0.00 0.00 178.44 179.99 1ppx h LYS 127 N 0.00 0.87 0.00 1.25 3.64 0.20 0.37 116.57 122.90 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 1.60 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1ppx h LYS 127 CO 0.11 0.58 0.00 -2.13 -2.27 0.00 0.00 179.45 175.74 1ppx n ARG 128 N -4.65 0.26 -0.17 1.90 0.63 -1.16 -4.84 116.66 108.62 1ppx n ARG 128 Ca 0.10 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1ppx n ARG 128 Cb 0.13 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40