#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 2.35 -0.09 3.17 2.20 -1.05 -5.03 119.74 121.29 1ppx s LYS 2 Ca 0.00 -1.61 -0.18 0.00 -0.36 0.00 0.00 55.97 53.82 1ppx s LYS 2 Cb 0.00 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1ppx s LYS 2 CO 0.00 -0.99 0.48 0.15 -0.36 0.00 0.00 175.35 174.63 1ppx s LYS 3 N 1.29 4.28 -0.12 4.03 3.01 -1.26 -2.54 119.74 128.43 1ppx s LYS 3 Ca 0.04 0.47 0.01 0.00 -1.01 0.00 0.00 55.97 55.48 1ppx s LYS 3 Cb -0.23 -3.40 0.02 0.00 -1.01 0.00 0.00 37.83 33.21 1ppx s LYS 3 CO -0.01 0.25 -0.14 -0.48 0.51 0.00 0.00 175.35 175.49 1ppx s LEU 4 N 0.30 1.65 0.13 3.17 0.05 0.33 -4.89 118.68 119.43 1ppx s LEU 4 Ca 0.26 -0.43 0.03 0.00 0.05 0.00 0.00 54.13 54.04 1ppx s LEU 4 Cb -0.16 -1.09 -0.04 0.00 -2.05 0.00 0.00 46.19 42.86 1ppx s LEU 4 CO 0.11 -0.02 0.20 -1.10 -0.55 0.00 0.00 176.35 174.99 1ppx s GLN 5 N 1.24 3.21 -0.10 1.48 -0.21 -1.26 -0.22 119.66 123.79 1ppx s GLN 5 Ca -0.01 -0.67 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1ppx s GLN 5 Cb -0.14 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.07 1ppx s GLN 5 CO -0.05 0.53 0.24 0.42 -2.12 0.00 0.00 175.29 174.30 1ppx s ILE 6 N -1.68 -0.04 -0.12 1.08 1.01 0.49 -3.41 121.20 118.54 1ppx s ILE 6 Ca 0.33 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1ppx s ILE 6 Cb -0.11 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.01 1ppx s ILE 6 CO 0.26 0.05 -0.16 0.00 0.00 0.00 0.00 174.94 175.10 1ppx s ALA 7 N 1.11 1.78 0.31 9.38 0.00 -1.00 0.56 121.76 133.90 1ppx s ALA 7 Ca -0.08 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1ppx s ALA 7 Cb -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1ppx s ALA 7 CO -0.07 -0.12 -0.06 0.14 0.00 0.00 0.00 175.76 175.64 1ppx s VAL 8 N 1.05 2.68 -0.15 0.00 -7.23 0.30 -3.82 120.40 113.23 1ppx s VAL 8 Ca -0.05 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 57.97 1ppx s VAL 8 Cb -0.15 -2.65 0.07 0.00 0.56 0.00 0.00 36.38 34.21 1ppx s VAL 8 CO -0.03 -0.29 0.20 -0.83 -0.31 0.00 0.00 175.10 173.84 1ppx s GLY 9 N -3.64 0.02 -0.75 2.32 0.00 -1.18 0.11 107.32 104.20 1ppx s GLY 9 Ca 0.33 0.43 -0.26 0.00 0.00 0.00 0.00 44.72 45.22 1ppx s GLY 9 CO 0.18 1.93 1.85 -0.42 0.00 0.00 0.00 173.10 176.64 1ppx s ILE 10 N 2.32 3.43 -0.32 0.90 1.09 -0.94 -4.67 121.20 123.01 1ppx s ILE 10 Ca 0.04 -0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.25 1ppx s ILE 10 Cb -0.14 -4.05 -0.01 0.00 -1.06 0.00 0.00 42.46 37.20 1ppx s ILE 10 CO -0.09 -1.01 1.60 -0.63 -0.10 0.00 0.00 174.94 174.71 1ppx s ILE 11 N 9.18 3.71 0.07 2.92 1.01 -1.26 -2.57 121.20 134.26 1ppx s ILE 11 Ca 0.66 0.75 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 1ppx s ILE 11 Cb -0.10 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1ppx s ILE 11 CO 0.11 -0.48 0.73 -0.13 0.00 0.00 0.00 174.94 175.17 1ppx s ARG 12 N 5.05 4.47 0.17 2.79 1.81 -1.18 -1.31 118.95 130.74 1ppx s ARG 12 Ca 0.70 1.02 0.02 0.00 -1.72 0.00 0.00 55.73 55.75 1ppx s ARG 12 Cb -0.20 -3.33 0.02 0.00 -0.45 0.00 0.00 34.95 30.99 1ppx s ARG 12 CO 0.31 0.39 0.17 0.27 -0.68 0.00 0.00 175.30 175.76 1ppx n ASN 13 N 2.44 1.16 0.00 0.23 0.23 0.27 -2.98 115.26 116.61 1ppx n ASN 13 Ca -0.04 -1.52 0.06 0.00 -0.53 0.00 0.00 54.58 52.55 1ppx n ASN 13 Cb 0.50 -0.06 0.33 0.00 -2.08 0.00 0.00 39.78 38.47 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ppx n GLU 14 N -1.08 0.23 -2.27 -3.83 2.13 -1.26 -3.19 120.64 111.36 1ppx n GLU 14 Ca 0.02 0.13 -0.20 0.00 0.66 0.00 0.00 57.16 57.76 1ppx n GLU 14 Cb 0.18 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.22 4.18 -2.09 4.31 5.15 -1.26 -4.94 115.26 119.39 1ppx n ASN 15 Ca 0.07 -3.42 -0.07 0.00 -0.60 0.00 0.00 54.58 50.56 1ppx n ASN 15 Cb 0.09 -0.40 -0.01 0.00 -0.53 0.00 0.00 39.78 38.93 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 -0.61 -2.30 -4.42 1.20 6.94 -1.19 -4.90 115.26 109.97 1ppx n ASN 16 Ca 0.35 0.29 -0.22 0.00 -0.02 0.00 0.00 54.58 54.98 1ppx n ASN 16 Cb 0.87 -2.12 -0.10 0.00 -2.36 0.00 0.00 39.78 36.07 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ppx s GLU 17 N -4.29 1.53 0.07 -3.83 -1.05 -1.26 -4.30 118.70 105.57 1ppx s GLU 17 Ca 0.00 -1.71 0.09 0.00 -0.15 0.00 0.00 54.97 53.20 1ppx s GLU 17 Cb 0.00 -1.43 -0.03 0.00 -0.44 0.00 0.00 34.13 32.22 1ppx s GLU 17 CO 0.00 0.23 -0.24 -1.50 0.95 0.00 0.00 175.26 174.70 1ppx s ILE 18 N -2.76 2.37 -0.76 1.83 -1.16 0.40 0.96 121.20 122.07 1ppx s ILE 18 Ca 0.27 -1.43 -0.20 0.00 -0.51 0.00 0.00 60.65 58.78 1ppx s ILE 18 Cb -0.02 -1.98 0.10 0.00 0.61 0.00 0.00 42.46 41.18 1ppx s ILE 18 CO 0.11 0.28 0.98 0.12 -2.81 0.00 0.00 174.94 173.63 1ppx s PHE 19 N -0.91 2.93 0.29 3.50 2.19 -0.43 -1.54 117.98 124.01 1ppx s PHE 19 Ca 0.13 -0.99 0.08 0.00 0.33 0.00 0.00 56.93 56.48 1ppx s PHE 19 Cb -0.10 -4.23 -0.04 0.00 -1.31 0.00 0.00 43.02 37.34 1ppx s PHE 19 CO 0.04 -1.51 0.17 0.96 1.83 0.00 0.00 175.22 176.71 1ppx s ILE 20 N 3.20 3.77 -0.43 3.12 -4.36 -1.25 -4.54 121.20 120.71 1ppx s ILE 20 Ca 0.24 -1.55 -0.28 0.00 -0.26 0.00 0.00 60.65 58.81 1ppx s ILE 20 Cb -0.13 -3.16 0.03 0.00 1.25 0.00 0.00 42.46 40.44 1ppx s ILE 20 CO 0.01 -0.28 1.07 0.42 0.24 0.00 0.00 174.94 176.41 1ppx s THR 21 N -2.27 4.35 -0.05 8.37 -4.23 0.32 -3.48 115.64 118.65 1ppx s THR 21 Ca 0.35 1.27 0.05 0.00 -1.18 0.00 0.00 61.69 62.18 1ppx s THR 21 Cb -0.06 -4.51 -0.00 0.00 1.34 0.00 0.00 72.50 69.26 1ppx s THR 21 CO 0.24 -0.83 -0.19 -0.60 -0.54 0.00 0.00 174.62 172.70 1ppx s ARG 22 N 4.09 2.07 -0.82 3.99 3.52 -1.21 -0.55 118.95 130.03 1ppx s ARG 22 Ca 0.45 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1ppx s ARG 22 Cb -0.09 -1.76 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 1ppx s ARG 22 CO 0.26 0.26 0.00 0.54 -0.81 0.00 0.00 175.30 175.56 1ppx n ARG 23 N 3.15 -2.10 0.00 5.12 1.74 -1.23 -4.24 116.66 119.10 1ppx n ARG 23 Ca -0.18 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1ppx n ARG 23 Cb 0.53 -4.93 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 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 -1.67 0.00 0.00 7.54 0.00 -1.26 -3.10 120.51 122.02 1ppx n ALA 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ppx n ALA 24 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 3.99 2.11 0.01 0.00 0.00 -1.26 0.23 120.51 125.59 1ppx n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -0.40 0.00 0.00 0.00 177.50 177.10 1ppx n ASP 26 N -2.22 -0.11 -3.72 0.00 5.68 -1.18 -5.02 116.55 109.98 1ppx n ASP 26 Ca 0.00 0.03 -0.21 0.00 -0.50 0.00 0.00 54.79 54.11 1ppx n ASP 26 Cb 0.00 0.35 -0.18 0.00 -1.14 0.00 0.00 41.12 40.15 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ppx s ALA 27 N -2.00 0.44 0.00 2.12 0.00 -1.26 -4.98 121.76 116.08 1ppx s ALA 27 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1ppx s ALA 27 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1ppx s ALA 27 CO 0.00 -0.46 0.00 1.58 0.00 0.00 0.00 175.76 176.88 1ppx n HIS 28 N 5.18 -0.04 -3.59 0.00 -0.00 -1.26 -5.01 115.22 110.50 1ppx n HIS 28 Ca -0.06 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.08 1ppx n HIS 28 Cb 0.50 0.01 -0.06 0.00 -0.12 0.00 0.00 29.99 30.32 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1ppx s MET 29 N -0.36 0.45 0.21 1.57 -1.94 -1.26 -5.03 119.30 112.94 1ppx s MET 29 Ca 0.00 1.18 0.16 0.00 -1.71 0.00 0.00 55.69 55.32 1ppx s MET 29 Cb 0.00 0.53 -0.01 0.00 2.01 0.00 0.00 34.83 37.37 1ppx s MET 29 CO 0.00 -0.29 1.24 0.00 -0.01 0.00 0.00 175.02 175.96 1ppx h ALA 30 N 8.09 0.65 -0.44 3.03 0.00 -1.90 -3.26 119.26 125.44 1ppx h ALA 30 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1ppx h ALA 30 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ppx h ALA 30 CO 0.13 0.71 0.00 0.27 0.00 0.00 0.00 179.25 180.37 1ppx n ASN 31 N -3.11 4.39 -0.87 0.00 0.23 -1.22 -4.10 115.26 110.58 1ppx n ASN 31 Ca -0.02 -2.64 0.02 0.00 -0.53 0.00 0.00 54.58 51.42 1ppx n ASN 31 Cb 0.77 -0.62 0.21 0.00 -2.08 0.00 0.00 39.78 38.06 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ppx n LYS 32 N 0.51 1.97 -1.46 -3.83 4.01 -0.56 -1.98 118.16 116.82 1ppx n LYS 32 Ca 0.20 -3.04 -0.12 0.00 -0.51 0.00 0.00 58.31 54.84 1ppx n LYS 32 Cb 0.92 -1.75 -0.10 0.00 -0.51 0.00 0.00 35.03 33.59 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 -1.03 0.54 0.00 -0.35 0.00 1.00 -4.37 117.00 112.78 1ppx n LEU 33 Ca 0.26 -1.82 -0.22 0.00 0.00 0.00 0.00 56.01 54.23 1ppx n LEU 33 Cb 0.90 -1.38 0.02 0.00 0.00 0.00 0.00 43.42 42.96 1ppx n LEU 33 CO 0.12 -2.80 0.15 1.21 0.00 0.00 0.00 177.39 176.08 1ppx n GLU 34 N 7.36 0.70 -4.48 1.96 2.13 0.28 -4.14 120.64 124.44 1ppx n GLU 34 Ca 0.38 -3.13 -0.24 0.00 0.66 0.00 0.00 57.16 54.83 1ppx n GLU 34 Cb 0.43 0.17 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 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 -2.50 2.31 1.13 4.31 -0.12 -1.26 0.12 117.98 121.97 1ppx s PHE 35 Ca 0.38 -0.36 -0.12 0.00 -0.05 0.00 0.00 56.93 56.77 1ppx s PHE 35 Cb -0.03 -1.07 0.26 0.00 -0.63 0.00 0.00 43.02 41.56 1ppx s PHE 35 CO 0.24 0.69 1.05 -1.25 -0.05 0.00 0.00 175.22 175.90 1ppx s PRO 36 N -3.53 -0.62 0.00 1.99 0.04 -1.26 -4.78 135.00 126.83 1ppx s PRO 36 Ca 0.30 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1ppx s PRO 36 Cb -0.04 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1ppx s PRO 36 CO 0.15 -3.55 0.00 0.41 0.04 0.00 0.00 177.00 174.05 1ppx n GLY 37 N 0.62 0.82 2.93 0.56 0.00 -1.25 -3.13 105.19 105.74 1ppx n GLY 37 Ca 0.04 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.70 0.85 0.00 -0.02 0.00 -1.25 -2.37 107.32 102.84 1ppx s GLY 38 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1ppx s GLY 38 CO 0.00 0.71 0.00 1.17 0.00 0.00 0.00 173.10 174.98 1ppx n LYS 39 N 4.81 0.00 0.24 2.90 4.81 -1.26 -4.99 118.16 124.67 1ppx n LYS 39 Ca -0.14 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.46 1ppx n LYS 39 Cb 0.50 0.00 0.85 0.00 0.02 0.00 0.00 35.03 36.40 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 0.54 0.00 3.15 3.07 -1.81 -3.27 117.51 119.18 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 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.46 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 -3.89 0.00 0.00 0.16 0.28 -1.22 -4.16 120.64 111.81 1ppx n GLU 41 Ca -0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1ppx n GLU 41 Cb 0.22 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.39 0.00 -0.99 3.44 2.81 -1.24 -2.19 117.12 118.57 1ppx n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1ppx n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.13 2.58 3.03 0.00 -1.26 -5.13 105.19 104.28 1ppx n GLY 43 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.13 0.07 -4.02 1.61 4.71 -0.93 -5.08 120.64 116.86 1ppx n GLU 44 Ca -0.08 -1.78 -0.25 0.00 -0.01 0.00 0.00 57.16 55.04 1ppx n GLU 44 Cb 0.46 -0.47 -0.04 0.00 -1.01 0.00 0.00 31.44 30.37 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 -2.04 4.93 0.61 2.62 2.01 -1.26 -4.76 115.64 117.74 1ppx s THR 45 Ca 0.45 -0.95 0.26 0.00 0.31 0.00 0.00 61.69 61.76 1ppx s THR 45 Cb -0.02 -3.56 0.36 0.00 0.01 0.00 0.00 72.50 69.28 1ppx s THR 45 CO 0.30 -0.16 1.47 1.55 -0.69 0.00 0.00 174.62 177.09 1ppx h PRO 46 N 2.03 0.00 0.01 4.92 0.13 -1.98 1.51 132.00 138.61 1ppx h PRO 46 Ca -0.49 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.24 1ppx h PRO 46 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1ppx h PRO 46 CO 0.65 0.00 -2.24 0.39 -0.23 0.00 0.00 178.00 176.57 1ppx n GLU 47 N -3.30 0.60 0.09 0.86 4.71 -1.26 -4.46 120.64 117.88 1ppx n GLU 47 Ca 0.17 0.32 0.13 0.00 -0.01 0.00 0.00 57.16 57.76 1ppx n GLU 47 Cb 1.21 -1.56 0.43 0.00 -1.01 0.00 0.00 31.44 30.51 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 -4.13 0.22 0.18 3.49 1.13 -0.41 -3.06 117.38 114.81 1ppx n GLN 48 Ca -0.48 0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 54.61 1ppx n GLN 48 Cb 0.86 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.38 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ppx h ALA 49 N 2.60 -0.39 0.06 -1.58 0.00 0.18 0.17 119.26 120.31 1ppx h ALA 49 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1ppx h ALA 49 Cb 0.70 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ppx h ALA 49 CO 0.00 -0.69 -0.64 -0.39 0.00 0.00 0.00 179.25 177.53 1ppx h VAL 50 N -0.43 1.50 -0.69 0.00 -1.51 -1.78 -2.30 116.25 111.03 1ppx h VAL 50 Ca -0.04 -2.29 0.06 0.00 -1.23 0.00 0.00 66.70 63.20 1ppx h VAL 50 Cb 0.33 2.93 -0.04 0.00 -2.13 0.00 0.00 31.29 32.38 1ppx h VAL 50 CO 0.07 0.65 0.46 0.58 -1.23 0.00 0.00 177.57 178.09 1ppx h VAL 51 N -0.30 1.03 0.02 7.19 2.07 -1.58 0.82 116.25 125.49 1ppx h VAL 51 Ca -0.10 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1ppx h VAL 51 Cb 1.42 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ppx h VAL 51 CO 0.12 0.13 -0.01 -0.09 0.02 0.00 0.00 177.57 177.75 1ppx h ARG 52 N 0.73 -0.02 0.00 1.57 1.12 -0.74 -3.30 114.38 113.73 1ppx h ARG 52 Ca 0.30 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.14 1ppx h ARG 52 Cb 0.24 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1ppx h ARG 52 CO -0.09 0.71 -0.11 0.93 -3.11 0.00 0.00 179.97 178.29 1ppx h GLU 53 N -0.94 0.00 -0.74 0.20 4.39 -1.21 -2.80 114.58 113.48 1ppx h GLU 53 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1ppx h GLU 53 Cb 0.74 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.30 1ppx h GLU 53 CO 0.00 0.11 0.31 -0.07 -1.16 0.00 0.00 179.01 178.21 1ppx h LEU 54 N 0.00 0.32 -1.32 1.33 4.07 0.60 1.17 115.31 121.49 1ppx h LEU 54 Ca -0.00 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ppx h LEU 54 Cb 0.36 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 1ppx h LEU 54 CO 0.01 0.14 0.41 -0.61 -1.08 0.00 0.00 178.44 177.31 1ppx h GLN 55 N 0.48 0.87 0.00 1.13 4.15 -1.63 1.29 115.11 121.40 1ppx h GLN 55 Ca 0.40 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.66 1ppx h GLN 55 Cb 0.57 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1ppx h GLN 55 CO -0.37 0.59 -0.45 1.49 -1.93 0.00 0.00 178.83 178.16 1ppx h GLU 56 N 0.89 0.00 -0.26 1.69 4.22 -0.18 0.90 114.58 121.83 1ppx h GLU 56 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.68 1ppx h GLU 56 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ppx h GLU 56 CO -0.05 0.45 0.00 0.39 -2.18 0.00 0.00 179.01 177.62 1ppx n GLU 57 N -3.29 2.06 0.00 1.92 -0.58 0.35 0.12 120.64 121.23 1ppx n GLU 57 Ca 0.01 -1.84 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 1ppx n GLU 57 Cb 0.67 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ppx n VAL 58 N 0.77 0.00 -0.77 2.62 0.31 0.43 -4.11 118.33 117.58 1ppx n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ppx n VAL 58 Cb 0.42 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.00 0.02 0.00 2.92 0.00 0.31 -0.52 105.19 109.93 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 -2.02 0.00 -3.71 -0.61 -5.35 -1.26 -4.81 119.36 101.60 1ppx n ILE 60 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1ppx n ILE 60 Cb 0.26 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.07 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 -0.54 3.78 -0.09 7.28 -1.32 -1.26 -4.95 115.64 118.55 1ppx s THR 61 Ca 0.00 -3.20 0.02 0.00 -1.21 0.00 0.00 61.69 57.29 1ppx s THR 61 Cb 0.00 -3.44 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1ppx s THR 61 CO 0.00 -0.92 -0.13 -2.16 -2.21 0.00 0.00 174.62 169.20 1ppx s PRO 62 N -0.38 2.91 -1.23 7.08 0.04 -1.26 -0.70 135.00 141.46 1ppx s PRO 62 Ca 0.19 -0.67 -0.20 0.00 0.04 0.00 0.00 61.00 60.36 1ppx s PRO 62 Cb -0.17 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1ppx s PRO 62 CO -0.05 0.46 1.85 1.04 0.04 0.00 0.00 177.00 180.34 1ppx n GLN 63 N 2.81 2.35 -4.73 4.56 6.02 -0.51 -4.84 117.38 123.03 1ppx n GLN 63 Ca -0.18 -2.82 -0.33 0.00 -0.01 0.00 0.00 57.00 53.67 1ppx n GLN 63 Cb 0.52 -3.59 -0.13 0.00 1.02 0.00 0.00 30.24 28.06 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 7.58 2.83 0.00 1.08 2.46 -1.26 -1.88 115.29 126.11 1ppx s HIS 64 Ca 0.61 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.71 1ppx s HIS 64 Cb 0.02 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 1ppx s HIS 64 CO 0.10 -0.06 0.00 0.34 -2.47 0.00 0.00 174.74 172.66 1ppx n PHE 65 N 3.16 0.00 -1.06 3.88 7.35 -1.22 -4.95 117.46 124.62 1ppx n PHE 65 Ca -0.18 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.63 1ppx n PHE 65 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 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 -5.38 -3.77 -2.13 7.64 -1.24 -1.72 113.62 107.02 1ppx n SER 66 Ca 0.00 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.22 1ppx n SER 66 Cb 0.00 -3.40 -0.17 0.00 -1.01 0.00 0.00 64.21 59.64 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 -5.47 1.00 -0.08 -3.43 0.20 -1.26 -1.52 118.68 108.12 1ppx s LEU 67 Ca 0.00 -0.52 -0.15 0.00 0.69 0.00 0.00 54.13 54.15 1ppx s LEU 67 Cb 0.00 -0.58 -0.12 0.00 -0.43 0.00 0.00 46.19 45.07 1ppx s LEU 67 CO 0.00 -0.25 0.54 0.15 -0.29 0.00 0.00 176.35 176.50 1ppx h PHE 68 N 8.26 -0.13 -1.42 5.38 3.57 -1.50 -3.43 116.94 127.67 1ppx h PHE 68 Ca -0.19 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.44 1ppx h PHE 68 Cb 1.12 0.04 -0.28 0.00 2.79 0.00 0.00 35.95 39.62 1ppx h PHE 68 CO 0.37 0.24 0.49 -1.21 -2.23 0.00 0.00 178.31 175.98 1ppx s GLU 69 N -2.56 0.31 -0.11 1.11 2.02 -0.81 -5.02 118.70 113.64 1ppx s GLU 69 Ca -0.09 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.41 1ppx s GLU 69 Cb -0.00 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 1ppx s GLU 69 CO 0.33 -0.06 -0.14 -1.59 0.02 0.00 0.00 175.26 173.82 1ppx s LYS 70 N 1.07 3.17 -0.06 1.61 -2.85 -1.26 -1.63 119.74 119.80 1ppx s LYS 70 Ca -0.06 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.20 1ppx s LYS 70 Cb -0.04 -2.55 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 1ppx s LYS 70 CO -0.13 0.30 -0.00 -1.17 0.10 0.00 0.00 175.35 174.45 1ppx s LEU 71 N 0.12 3.54 -0.21 2.77 2.96 0.18 -4.95 118.68 123.10 1ppx s LEU 71 Ca -0.07 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ppx s LEU 71 Cb -0.15 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 44.72 1ppx s LEU 71 CO 0.05 0.35 0.01 -0.70 -1.32 0.00 0.00 176.35 174.73 1ppx s GLU 72 N -1.09 1.00 -0.02 1.98 2.12 -1.26 -1.42 118.70 120.01 1ppx s GLU 72 Ca 0.15 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 1ppx s GLU 72 Cb -0.11 -2.28 0.01 0.00 0.26 0.00 0.00 34.13 32.00 1ppx s GLU 72 CO 0.05 -0.64 0.04 1.52 -0.54 0.00 0.00 175.26 175.69 1ppx s TYR 73 N 1.69 -0.04 -0.08 5.30 1.13 -1.18 -5.06 117.35 119.11 1ppx s TYR 73 Ca -0.02 0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.74 1ppx s TYR 73 Cb -0.18 -0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.63 1ppx s TYR 73 CO -0.08 -0.04 -0.01 -1.83 -2.51 0.00 0.00 175.55 171.09 1ppx s GLU 74 N 0.21 2.94 0.30 -3.49 -1.05 -1.26 -2.08 118.70 114.27 1ppx s GLU 74 Ca -0.02 -0.43 0.06 0.00 -0.15 0.00 0.00 54.97 54.44 1ppx s GLU 74 Cb -0.02 -2.76 -0.02 0.00 -0.44 0.00 0.00 34.13 30.88 1ppx s GLU 74 CO -0.01 0.70 0.39 -0.06 0.95 0.00 0.00 175.26 177.23 1ppx s PHE 75 N -0.88 3.19 -0.42 4.83 0.40 0.30 -4.89 117.98 120.52 1ppx s PHE 75 Ca 0.13 -0.16 -0.10 0.00 -0.60 0.00 0.00 56.93 56.21 1ppx s PHE 75 Cb -0.11 -1.78 -0.10 0.00 0.51 0.00 0.00 43.02 41.54 1ppx s PHE 75 CO 0.02 0.21 1.46 -0.35 0.70 0.00 0.00 175.22 177.26 1ppx n PRO 76 N -1.49 0.05 -0.72 0.24 -0.04 -1.26 0.99 135.00 132.76 1ppx n PRO 76 Ca -0.04 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1ppx n PRO 76 Cb 0.58 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 9.68 -2.16 -3.56 3.54 8.00 -1.26 -4.98 116.55 125.81 1ppx n ASP 77 Ca 0.19 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 1ppx n ASP 77 Cb 0.46 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.50 0.55 -0.73 -1.24 3.52 0.28 -2.51 118.95 118.30 1ppx s ARG 78 Ca 0.00 -1.11 -0.26 0.00 -0.13 0.00 0.00 55.73 54.23 1ppx s ARG 78 Cb 0.00 -1.49 0.00 0.00 -1.56 0.00 0.00 34.95 31.90 1ppx s ARG 78 CO 0.00 -1.11 1.60 -1.58 -0.81 0.00 0.00 175.30 173.40 1ppx s HIS 79 N 1.41 2.01 -0.40 5.12 5.65 -1.05 0.11 115.29 128.13 1ppx s HIS 79 Ca 0.14 0.27 -0.18 0.00 0.25 0.00 0.00 55.06 55.54 1ppx s HIS 79 Cb -0.20 -4.36 0.01 0.00 -1.18 0.00 0.00 32.58 26.85 1ppx s HIS 79 CO -0.16 -2.12 0.51 -1.50 -0.65 0.00 0.00 174.74 170.82 1ppx s ILE 80 N 7.46 5.00 -0.17 0.89 2.07 -0.88 0.12 121.20 135.69 1ppx s ILE 80 Ca 0.53 0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.73 1ppx s ILE 80 Cb -0.09 -4.05 -0.03 0.00 0.13 0.00 0.00 42.46 38.42 1ppx s ILE 80 CO 0.13 -0.38 0.00 -0.89 -1.91 0.00 0.00 174.94 171.89 1ppx s THR 81 N 2.39 4.23 -0.19 4.00 2.01 0.70 -3.08 115.64 125.70 1ppx s THR 81 Ca 0.17 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ppx s THR 81 Cb -0.16 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.52 1ppx s THR 81 CO 0.15 0.47 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.71 1ppx s LEU 82 N 0.42 1.99 -0.21 4.42 1.43 -0.51 0.18 118.68 126.41 1ppx s LEU 82 Ca -0.01 -0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 1ppx s LEU 82 Cb -0.14 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1ppx s LEU 82 CO 0.02 -0.17 -0.02 0.26 0.23 0.00 0.00 176.35 176.67 1ppx s TRP 83 N 1.50 2.99 -0.35 0.29 0.51 0.19 0.48 118.94 124.56 1ppx s TRP 83 Ca -0.00 -0.67 -0.11 0.00 -2.12 0.00 0.00 56.10 53.19 1ppx s TRP 83 Cb -0.16 -2.08 0.01 0.00 -0.81 0.00 0.00 33.47 30.43 1ppx s TRP 83 CO -0.08 -0.37 0.20 -0.06 -0.51 0.00 0.00 176.95 176.13 1ppx s PHE 84 N 1.18 3.22 0.13 -1.98 0.08 -0.64 0.11 117.98 120.07 1ppx s PHE 84 Ca 0.03 -0.65 -0.06 0.00 0.12 0.00 0.00 56.93 56.36 1ppx s PHE 84 Cb -0.14 -2.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1ppx s PHE 84 CO 0.00 -0.52 0.39 -1.58 -0.10 0.00 0.00 175.22 173.41 1ppx s TRP 85 N 1.62 3.49 -0.58 0.36 0.52 0.30 -1.47 118.94 123.18 1ppx s TRP 85 Ca 0.04 0.62 -0.21 0.00 0.02 0.00 0.00 56.10 56.57 1ppx s TRP 85 Cb -0.18 -2.05 0.07 0.00 -1.15 0.00 0.00 33.47 30.16 1ppx s TRP 85 CO 0.07 0.45 0.81 -1.17 0.02 0.00 0.00 176.95 177.13 1ppx s LEU 86 N -2.49 4.70 0.16 2.99 1.98 -0.57 -2.21 118.68 123.23 1ppx s LEU 86 Ca 0.39 -0.92 -0.15 0.00 -2.89 0.00 0.00 54.13 50.56 1ppx s LEU 86 Cb -0.12 -2.49 -0.07 0.00 0.66 0.00 0.00 46.19 44.16 1ppx s LEU 86 CO 0.23 -1.17 0.58 -0.69 -1.89 0.00 0.00 176.35 173.41 1ppx s VAL 87 N 3.33 4.81 0.00 1.68 1.01 -1.06 -3.42 120.40 126.74 1ppx s VAL 87 Ca 0.20 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1ppx s VAL 87 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1ppx s VAL 87 CO 0.12 0.24 0.00 -1.84 0.00 0.00 0.00 175.10 173.61 1ppx n GLU 88 N 0.79 4.39 -3.43 2.72 0.00 -0.91 -3.13 120.64 121.07 1ppx n GLU 88 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.00 1ppx n GLU 88 Cb 0.52 -0.64 -0.02 0.00 0.00 0.00 0.00 31.44 31.29 1ppx n GLU 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1ppx s ARG 89 N -1.26 1.22 -0.27 3.44 1.81 -0.79 -4.44 118.95 118.66 1ppx s ARG 89 Ca 0.00 -0.45 -0.10 0.00 -1.72 0.00 0.00 55.73 53.46 1ppx s ARG 89 Cb 0.00 0.56 0.11 0.00 -0.45 0.00 0.00 34.95 35.17 1ppx s ARG 89 CO 0.00 -0.53 0.60 1.67 -0.68 0.00 0.00 175.30 176.35 1ppx s TRP 90 N -3.67 -1.15 -0.28 -0.53 -2.14 -1.26 -1.42 118.94 108.49 1ppx s TRP 90 Ca 0.02 2.09 -0.26 0.00 2.66 0.00 0.00 56.10 60.60 1ppx s TRP 90 Cb -0.01 0.65 0.01 0.00 -3.10 0.00 0.00 33.47 31.02 1ppx s TRP 90 CO -0.12 -0.59 0.92 -1.21 -2.66 0.00 0.00 176.95 173.28 1ppx s GLU 91 N 2.56 4.08 2.30 3.25 0.41 0.13 -4.78 118.70 126.65 1ppx s GLU 91 Ca -0.06 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1ppx s GLU 91 Cb -0.11 -3.70 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 1ppx s GLU 91 CO -0.18 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 1ppx n GLY 92 N 3.87 1.02 3.09 -1.39 0.00 -1.26 -3.99 105.19 106.54 1ppx n GLY 92 Ca 0.08 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 1.46 0.01 1.61 2.02 -1.26 -5.12 118.70 117.42 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 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1ppx s GLU 93 CO 0.00 0.22 1.10 -2.14 0.02 0.00 0.00 175.26 174.46 1ppx s PRO 94 N 0.03 4.47 0.25 0.39 0.02 -1.26 -4.67 135.00 134.22 1ppx s PRO 94 Ca -0.02 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1ppx s PRO 94 Cb -0.10 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1ppx s PRO 94 CO 0.01 -0.21 0.00 -2.67 -0.33 0.00 0.00 177.00 173.80 1ppx n TRP 95 N 4.20 -2.26 0.00 6.54 4.27 0.33 -4.93 117.44 125.58 1ppx n TRP 95 Ca 0.08 0.43 0.00 0.00 -3.89 0.00 0.00 57.50 54.12 1ppx n TRP 95 Cb 0.48 0.72 0.00 0.00 -1.36 0.00 0.00 31.31 31.15 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 1.36 0.41 1.16 -1.67 0.00 -0.36 -2.60 105.19 103.49 1ppx n GLY 96 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 0.20 -0.07 1.61 5.02 0.33 -4.69 118.16 120.56 1ppx n LYS 97 Ca 0.00 -0.43 -0.10 0.00 -2.02 0.00 0.00 58.31 55.76 1ppx n LYS 97 Cb 0.00 0.38 -0.03 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 -0.52 0.00 0.00 177.40 177.93 1ppx h GLU 98 N 0.15 0.36 0.00 1.97 4.11 -1.72 -3.47 114.58 115.98 1ppx h GLU 98 Ca -0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1ppx h GLU 98 Cb 0.96 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ppx h GLU 98 CO -0.10 0.34 0.00 0.41 0.07 0.00 0.00 179.01 179.73 1ppx n GLY 99 N -0.89 3.27 3.12 1.06 0.00 -1.26 -5.00 105.19 105.48 1ppx n GLY 99 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.54 2.30 0.41 1.61 -2.07 -1.26 -4.89 119.66 115.22 1ppx s GLN 100 Ca 0.00 -2.14 -0.22 0.00 -1.82 0.00 0.00 55.36 51.18 1ppx s GLN 100 Cb 0.00 -3.68 -0.14 0.00 -1.09 0.00 0.00 33.01 28.10 1ppx s GLN 100 CO 0.00 -1.13 0.35 -2.30 -1.32 0.00 0.00 175.29 170.89 1ppx n PRO 101 N 4.12 0.30 -4.41 9.60 -0.02 0.14 -4.45 135.00 140.27 1ppx n PRO 101 Ca 0.02 0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 1ppx n PRO 101 Cb 0.40 -1.28 -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 -0.98 2.42 0.03 -1.23 0.00 -1.26 -3.34 107.32 102.96 1ppx s GLY 102 Ca 0.62 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 1ppx s GLY 102 CO 0.60 -1.67 -0.02 1.85 0.00 0.00 0.00 173.10 173.86 1ppx s GLU 103 N -3.65 0.46 -0.43 2.90 2.56 -1.23 -4.95 118.70 114.37 1ppx s GLU 103 Ca 0.31 -0.86 -0.27 0.00 0.00 0.00 0.00 54.97 54.15 1ppx s GLU 103 Cb 0.03 0.16 -0.03 0.00 2.00 0.00 0.00 34.13 36.29 1ppx s GLU 103 CO 0.19 -0.08 1.93 -1.58 -0.56 0.00 0.00 175.26 175.16 1ppx s TRP 104 N -2.54 1.61 0.17 5.30 0.51 -1.26 -3.88 118.94 118.86 1ppx s TRP 104 Ca -0.06 0.79 0.11 0.00 -2.12 0.00 0.00 56.10 54.82 1ppx s TRP 104 Cb -0.02 -4.03 -0.04 0.00 -0.81 0.00 0.00 33.47 28.57 1ppx s TRP 104 CO -0.05 -2.80 -0.23 0.00 -0.51 0.00 0.00 176.95 173.36 1ppx s MET 105 N 6.47 1.44 -0.28 4.98 0.23 -0.59 -4.88 119.30 126.67 1ppx s MET 105 Ca 0.80 -1.46 -0.29 0.00 -1.03 0.00 0.00 55.69 53.71 1ppx s MET 105 Cb -0.20 -1.75 -0.01 0.00 -1.53 0.00 0.00 34.83 31.35 1ppx s MET 105 CO 0.29 0.38 1.38 -1.54 -2.03 0.00 0.00 175.02 173.51 1ppx s SER 106 N -2.52 6.59 0.59 -1.18 1.04 -1.26 0.15 113.70 117.11 1ppx s SER 106 Ca 0.18 1.31 0.31 0.00 0.48 0.00 0.00 55.95 58.24 1ppx s SER 106 Cb -0.08 -2.54 1.85 0.00 0.10 0.00 0.00 66.02 65.35 1ppx s SER 106 CO 0.08 -1.13 2.25 0.25 0.98 0.00 0.00 173.24 175.67 1ppx h LEU 107 N 11.10 0.00 -2.27 2.42 7.12 -1.88 -1.88 115.31 129.91 1ppx h LEU 107 Ca -0.28 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.73 1ppx h LEU 107 Cb 1.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1ppx h LEU 107 CO 1.03 0.02 0.22 0.58 -0.13 0.00 0.00 178.44 180.16 1ppx h VAL 108 N 0.00 0.00 -0.60 1.05 2.07 -1.89 -0.80 116.25 116.07 1ppx h VAL 108 Ca -0.00 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.12 1ppx h VAL 108 Cb 0.05 0.76 -0.25 0.00 -1.52 0.00 0.00 31.29 30.33 1ppx h VAL 108 CO 0.00 0.00 -0.16 0.61 0.02 0.00 0.00 177.57 178.04 1ppx n GLY 109 N -1.18 5.59 3.72 2.17 0.00 -0.71 -4.98 105.19 109.80 1ppx n GLY 109 Ca -0.02 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.04 0.99 2.96 -0.31 -5.00 118.68 118.17 1ppx s LEU 110 Ca 0.50 2.71 0.05 0.00 -0.22 0.00 0.00 54.13 57.18 1ppx s LEU 110 Cb 0.43 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1ppx s LEU 110 CO 0.01 -0.88 -0.21 0.20 -1.32 0.00 0.00 176.35 174.15 1ppx s ASN 111 N 1.12 2.59 0.29 3.68 0.01 -1.26 -4.73 114.94 116.64 1ppx s ASN 111 Ca 0.71 -0.42 0.25 0.00 -0.71 0.00 0.00 52.86 52.69 1ppx s ASN 111 Cb -0.46 -0.65 0.97 0.00 0.41 0.00 0.00 41.25 41.53 1ppx s ASN 111 CO 0.32 0.21 1.75 0.00 -1.51 0.00 0.00 177.10 177.87 1ppx h ALA 112 N 6.07 1.00 0.02 0.60 0.00 -1.93 -2.89 119.26 122.13 1ppx h ALA 112 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ppx h ALA 112 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ppx h ALA 112 CO 0.47 0.00 -0.12 0.22 0.00 0.00 0.00 179.25 179.82 1ppx h ASP 113 N 0.00 0.08 -0.07 0.00 3.58 -1.94 -3.35 116.42 114.71 1ppx h ASP 113 Ca 0.00 -0.94 -0.11 0.00 0.42 0.00 0.00 57.03 56.41 1ppx h ASP 113 Cb 0.48 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1ppx h ASP 113 CO 0.00 1.01 -0.29 -2.24 -2.88 0.00 0.00 179.24 174.83 1ppx h ASP 114 N -0.84 0.55 -3.87 2.28 2.03 -1.82 -3.42 116.42 111.32 1ppx h ASP 114 Ca -0.02 -0.20 -0.46 0.00 -0.73 0.00 0.00 57.03 55.62 1ppx h ASP 114 Cb 1.04 -0.15 0.12 0.00 -0.83 0.00 0.00 39.33 39.51 1ppx h ASP 114 CO 0.02 0.82 0.33 0.72 -1.03 0.00 0.00 179.24 180.11 1ppx s PHE 115 N -4.43 2.25 0.01 4.15 -0.71 -1.09 -0.00 117.98 118.16 1ppx s PHE 115 Ca -0.07 0.38 -0.30 0.00 -1.04 0.00 0.00 56.93 55.89 1ppx s PHE 115 Cb 0.13 -3.60 -0.05 0.00 -1.21 0.00 0.00 43.02 38.30 1ppx s PHE 115 CO 0.80 -2.01 1.20 -1.25 -1.34 0.00 0.00 175.22 172.62 1ppx s PRO 116 N -5.56 4.40 0.32 1.99 0.04 -0.84 -4.26 135.00 131.09 1ppx s PRO 116 Ca 0.67 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.64 1ppx s PRO 116 Cb -0.07 -3.44 1.11 0.00 0.04 0.00 0.00 34.50 32.14 1ppx s PRO 116 CO 0.49 -0.33 1.62 -0.35 0.04 0.00 0.00 177.00 178.46 1ppx n PRO 117 N 4.47 0.13 0.00 0.56 -0.04 -1.26 -2.20 135.00 136.66 1ppx n PRO 117 Ca 0.10 0.63 0.03 0.00 -0.04 0.00 0.00 63.50 64.22 1ppx n PRO 117 Cb 0.46 -1.97 0.16 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.75 1.34 -2.51 0.55 0.00 -1.26 -2.65 120.51 114.22 1ppx n ALA 118 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1ppx n ALA 118 Cb 0.06 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 2.92 -0.03 0.00 5.03 -0.93 -4.88 115.26 115.87 1ppx n ASN 119 Ca 0.02 -2.76 -0.15 0.00 0.87 0.00 0.00 54.58 52.56 1ppx n ASN 119 Cb 0.08 -0.43 -0.09 0.00 -1.02 0.00 0.00 39.78 38.32 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 2.47 0.30 -0.99 3.52 4.22 -1.70 -2.77 114.58 119.63 1ppx h GLU 120 Ca 0.07 -0.24 0.26 0.00 0.08 0.00 0.00 59.36 59.52 1ppx h GLU 120 Cb 1.35 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.52 1ppx h GLU 120 CO 0.44 0.88 0.57 -1.35 -2.18 0.00 0.00 179.01 177.37 1ppx h PRO 121 N -0.21 0.51 0.02 0.92 0.11 -1.90 1.55 132.00 133.00 1ppx h PRO 121 Ca -0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ppx h PRO 121 Cb 0.93 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1ppx h PRO 121 CO 0.06 0.34 -0.01 0.28 -0.21 0.00 0.00 178.00 178.46 1ppx h VAL 122 N 0.52 1.46 0.00 3.15 2.07 -1.96 -3.32 116.25 118.17 1ppx h VAL 122 Ca 0.65 -1.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1ppx h VAL 122 Cb 1.28 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1ppx h VAL 122 CO -0.50 0.46 -0.27 0.40 0.02 0.00 0.00 177.57 177.67 1ppx h ILE 123 N -0.90 1.19 -0.48 4.57 1.08 -1.09 -2.39 117.51 119.49 1ppx h ILE 123 Ca -0.00 -0.93 0.10 0.00 -0.39 0.00 0.00 64.86 63.64 1ppx h ILE 123 Cb 0.77 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 1ppx h ILE 123 CO 0.00 0.27 0.33 0.00 -0.69 0.00 0.00 178.15 178.06 1ppx h ALA 124 N 1.73 2.21 0.00 1.87 0.00 0.21 1.56 119.26 126.84 1ppx h ALA 124 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ppx h ALA 124 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ppx h ALA 124 CO 0.04 -0.33 -0.00 0.87 0.00 0.00 0.00 179.25 179.83 1ppx h LYS 125 N 0.18 -0.00 0.00 0.00 6.56 -1.53 -3.15 116.57 118.63 1ppx h LYS 125 Ca 0.22 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.69 1ppx h LYS 125 Cb 0.64 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1ppx h LYS 125 CO -0.04 0.56 -0.58 1.25 -2.06 0.00 0.00 179.45 178.58 1ppx h LEU 126 N -0.57 0.00 -0.76 2.94 7.12 -1.43 -3.27 115.31 119.34 1ppx h LEU 126 Ca -0.00 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.05 1ppx h LEU 126 Cb 0.56 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.64 1ppx h LEU 126 CO 0.00 0.58 0.48 0.50 -0.13 0.00 0.00 178.44 179.87 1ppx h LYS 127 N 0.00 0.89 0.00 1.25 3.64 0.22 0.36 116.57 122.92 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 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ppx h LYS 127 CO 0.08 0.59 0.00 -2.13 -2.27 0.00 0.00 179.45 175.71 1ppx n ARG 128 N -4.64 0.06 -0.39 1.90 0.63 -1.19 -4.90 116.66 108.13 1ppx n ARG 128 Ca 0.09 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1ppx n ARG 128 Cb 0.11 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40