#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 2.48 -0.09 0.03 2.47 -1.24 -5.07 119.74 118.32 1ppx s LYS 2 Ca 0.00 -1.52 0.04 0.00 -1.56 0.00 0.00 55.97 52.93 1ppx s LYS 2 Cb 0.00 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.66 1ppx s LYS 2 CO 0.00 -0.95 -0.22 -1.59 0.16 0.00 0.00 175.35 172.75 1ppx s LYS 3 N 1.36 2.88 -0.03 4.03 0.00 -1.26 -0.26 119.74 126.45 1ppx s LYS 3 Ca 0.03 -0.84 -0.00 0.00 0.00 0.00 0.00 55.97 55.16 1ppx s LYS 3 Cb -0.23 -2.31 0.03 0.00 0.00 0.00 0.00 37.83 35.32 1ppx s LYS 3 CO 0.01 0.30 0.01 -0.48 0.00 0.00 0.00 175.35 175.19 1ppx s LEU 4 N 0.07 0.99 0.14 2.77 0.05 0.26 -4.91 118.68 118.05 1ppx s LEU 4 Ca -0.09 -0.00 0.03 0.00 0.05 0.00 0.00 54.13 54.12 1ppx s LEU 4 Cb -0.15 -0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 43.76 1ppx s LEU 4 CO 0.06 -0.13 0.21 -1.10 -0.55 0.00 0.00 176.35 174.84 1ppx s GLN 5 N 1.23 3.20 -0.10 1.48 -0.21 -1.26 -0.88 119.66 123.11 1ppx s GLN 5 Ca -0.07 -0.69 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 1ppx s GLN 5 Cb -0.13 -2.84 0.05 0.00 1.00 0.00 0.00 33.01 31.09 1ppx s GLN 5 CO -0.02 0.52 0.24 0.42 -2.12 0.00 0.00 175.29 174.32 1ppx s ILE 6 N -1.70 -0.07 -0.12 1.08 -1.09 0.35 -3.53 121.20 116.12 1ppx s ILE 6 Ca 0.33 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 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 0.07 -0.16 0.00 -1.23 0.00 0.00 174.94 173.88 1ppx s ALA 7 N 1.37 1.77 0.26 9.38 0.00 -1.16 0.16 121.76 133.54 1ppx s ALA 7 Ca -0.08 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1ppx s ALA 7 Cb -0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1ppx s ALA 7 CO -0.08 -0.12 -0.12 0.14 0.00 0.00 0.00 175.76 175.58 1ppx s VAL 8 N 1.05 1.89 -0.19 0.00 -7.23 0.42 -3.75 120.40 112.59 1ppx s VAL 8 Ca -0.05 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 57.83 1ppx s VAL 8 Cb -0.15 -2.29 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1ppx s VAL 8 CO -0.03 -0.42 0.41 -0.83 -0.31 0.00 0.00 175.10 173.92 1ppx s GLY 9 N -3.42 -0.35 -0.41 2.32 0.00 -1.12 0.13 107.32 104.45 1ppx s GLY 9 Ca 0.27 1.49 -0.28 0.00 0.00 0.00 0.00 44.72 46.20 1ppx s GLY 9 CO 0.11 2.34 1.55 -0.26 0.00 0.00 0.00 173.10 176.84 1ppx s ILE 10 N 2.50 3.73 0.04 0.90 -4.36 -1.10 -4.45 121.20 118.47 1ppx s ILE 10 Ca -0.02 0.72 -0.31 0.00 -0.26 0.00 0.00 60.65 60.79 1ppx s ILE 10 Cb -0.12 -4.05 -0.06 0.00 1.25 0.00 0.00 42.46 39.48 1ppx s ILE 10 CO -0.13 -0.71 1.34 -0.63 0.24 0.00 0.00 174.94 175.06 1ppx s ILE 11 N 6.13 3.70 -0.15 8.37 1.01 -1.26 -2.93 121.20 136.07 1ppx s ILE 11 Ca 0.66 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 62.35 1ppx s ILE 11 Cb -0.16 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1ppx s ILE 11 CO 0.32 0.04 0.26 -0.13 0.00 0.00 0.00 174.94 175.43 1ppx s ARG 12 N 1.72 4.10 0.25 2.79 0.52 -1.25 0.12 118.95 127.21 1ppx s ARG 12 Ca 0.62 0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1ppx s ARG 12 Cb -0.32 -3.37 0.05 0.00 0.52 0.00 0.00 34.95 31.83 1ppx s ARG 12 CO 0.28 0.36 0.34 0.27 0.02 0.00 0.00 175.30 176.57 1ppx n ASN 13 N 3.18 0.31 0.00 0.23 6.94 0.47 -3.00 115.26 123.39 1ppx n ASN 13 Ca -0.14 -1.30 0.04 0.00 -0.02 0.00 0.00 54.58 53.17 1ppx n ASN 13 Cb 0.52 -0.23 0.26 0.00 -2.36 0.00 0.00 39.78 37.98 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1ppx n GLU 14 N -1.66 0.66 -2.50 -3.83 2.13 -1.26 -3.53 120.64 110.66 1ppx n GLU 14 Ca 0.05 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.72 1ppx n GLU 14 Cb 0.18 -1.21 0.03 0.00 0.27 0.00 0.00 31.44 30.71 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 -0.71 3.18 -1.91 4.31 2.85 -1.26 -4.94 115.26 116.77 1ppx n ASN 15 Ca 0.07 -3.05 -0.07 0.00 -0.11 0.00 0.00 54.58 51.41 1ppx n ASN 15 Cb 0.03 -0.45 -0.02 0.00 1.24 0.00 0.00 39.78 40.58 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 -0.47 -2.32 -4.58 1.20 0.23 -1.23 -4.90 115.26 103.19 1ppx n ASN 16 Ca 0.25 0.26 -0.24 0.00 -0.53 0.00 0.00 54.58 54.32 1ppx n ASN 16 Cb 0.81 -2.18 -0.09 0.00 -2.08 0.00 0.00 39.78 36.25 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ppx s GLU 17 N -3.96 2.01 0.03 -3.83 2.02 -1.26 -4.54 118.70 109.17 1ppx s GLU 17 Ca 0.00 -1.65 0.07 0.00 0.02 0.00 0.00 54.97 53.41 1ppx s GLU 17 Cb 0.00 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 1ppx s GLU 17 CO 0.00 0.28 -0.19 0.42 0.02 0.00 0.00 175.26 175.79 1ppx s ILE 18 N -2.45 2.71 -0.55 -1.63 1.01 0.22 0.18 121.20 120.68 1ppx s ILE 18 Ca 0.32 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 1ppx s ILE 18 Cb -0.04 -2.11 0.09 0.00 0.01 0.00 0.00 42.46 40.41 1ppx s ILE 18 CO 0.18 0.39 0.64 0.12 0.00 0.00 0.00 174.94 176.26 1ppx s PHE 19 N -0.87 3.06 0.31 3.97 5.36 0.33 -0.27 117.98 129.86 1ppx s PHE 19 Ca 0.14 -0.85 0.11 0.00 -0.96 0.00 0.00 56.93 55.36 1ppx s PHE 19 Cb -0.10 -3.77 -0.06 0.00 -0.34 0.00 0.00 43.02 38.75 1ppx s PHE 19 CO 0.04 -1.15 -0.16 0.96 -1.46 0.00 0.00 175.22 173.46 1ppx s ILE 20 N 2.49 2.36 0.09 3.12 -4.36 -1.18 -4.26 121.20 119.46 1ppx s ILE 20 Ca 0.11 -2.32 -0.24 0.00 -0.26 0.00 0.00 60.65 57.94 1ppx s ILE 20 Cb -0.23 -2.44 -0.07 0.00 1.25 0.00 0.00 42.46 40.97 1ppx s ILE 20 CO 0.08 -0.32 0.72 0.28 0.24 0.00 0.00 174.94 175.93 1ppx s THR 21 N -2.56 4.61 -0.32 8.37 -1.32 -0.92 -2.50 115.64 121.01 1ppx s THR 21 Ca 0.31 1.55 0.02 0.00 -1.21 0.00 0.00 61.69 62.36 1ppx s THR 21 Cb -0.02 -4.07 0.09 0.00 -1.51 0.00 0.00 72.50 67.00 1ppx s THR 21 CO 0.15 0.46 0.05 -0.60 -2.21 0.00 0.00 174.62 172.47 1ppx s ARG 22 N -0.66 1.31 4.69 7.08 3.52 -1.21 -3.65 118.95 130.02 1ppx s ARG 22 Ca 0.35 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 1ppx s ARG 22 Cb -0.21 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1ppx s ARG 22 CO 0.23 -0.90 0.00 -2.13 -0.81 0.00 0.00 175.30 171.69 1ppx n ARG 23 N 4.47 0.00 -1.56 5.12 0.63 -1.25 -4.83 116.66 119.24 1ppx n ARG 23 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ppx n ARG 23 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ppx n ALA 24 N 8.11 0.00 0.31 5.13 0.00 -1.26 -4.35 120.51 128.45 1ppx n ALA 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ppx n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 2.00 -1.19 0.00 0.00 0.00 -1.94 -3.41 119.26 114.72 1ppx h ALA 25 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1ppx h ALA 25 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ppx h ALA 25 CO 0.00 -1.13 -1.89 -0.40 0.00 0.00 0.00 179.25 175.83 1ppx n ASP 26 N -4.17 1.43 -3.63 0.00 5.75 -1.26 -5.10 116.55 109.57 1ppx n ASP 26 Ca -0.10 0.24 -0.04 0.00 -0.01 0.00 0.00 54.79 54.89 1ppx n ASP 26 Cb 0.31 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ppx s ALA 27 N -2.40 -2.10 0.00 2.12 0.00 -1.26 -5.11 121.76 113.01 1ppx s ALA 27 Ca -0.26 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1ppx s ALA 27 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1ppx s ALA 27 CO 0.34 -0.22 0.00 1.58 0.00 0.00 0.00 175.76 177.46 1ppx n HIS 28 N 0.82 -0.19 -3.38 0.00 -0.00 -1.26 -4.92 115.22 106.29 1ppx n HIS 28 Ca -0.04 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.90 1ppx n HIS 28 Cb 0.58 0.04 -0.10 0.00 -0.12 0.00 0.00 29.99 30.39 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 -0.51 0.68 0.52 1.57 -1.94 -1.26 -4.97 119.30 113.39 1ppx s MET 29 Ca 0.00 -1.39 0.31 0.00 -1.71 0.00 0.00 55.69 52.90 1ppx s MET 29 Cb 0.00 -1.11 1.17 0.00 2.01 0.00 0.00 34.83 36.90 1ppx s MET 29 CO 0.00 -1.26 1.91 0.00 -0.01 0.00 0.00 175.02 175.66 1ppx h ALA 30 N 6.58 1.00 -0.48 3.03 0.00 -1.87 -2.72 119.26 124.80 1ppx h ALA 30 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ppx h ALA 30 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ppx h ALA 30 CO 0.26 0.06 0.00 -1.71 0.00 0.00 0.00 179.25 177.86 1ppx n ASN 31 N -3.15 3.99 -0.88 0.00 2.85 -1.16 -4.13 115.26 112.77 1ppx n ASN 31 Ca 0.01 -2.44 0.02 0.00 -0.11 0.00 0.00 54.58 52.06 1ppx n ASN 31 Cb 0.36 -0.54 0.21 0.00 1.24 0.00 0.00 39.78 41.04 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ppx n LYS 32 N 0.72 1.97 -1.45 1.20 5.02 -0.66 -1.10 118.16 123.86 1ppx n LYS 32 Ca 0.20 -3.05 -0.12 0.00 -2.02 0.00 0.00 58.31 53.32 1ppx n LYS 32 Cb 0.78 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ppx n LEU 33 N -1.03 0.34 -4.64 -0.35 0.00 -0.05 -4.59 117.00 106.68 1ppx n LEU 33 Ca 0.26 -1.65 -0.29 0.00 0.00 0.00 0.00 56.01 54.33 1ppx n LEU 33 Cb 0.90 -1.29 -0.08 0.00 0.00 0.00 0.00 43.42 42.95 1ppx n LEU 33 CO 0.13 -2.59 -0.24 -0.70 0.00 0.00 0.00 177.39 173.98 1ppx s GLU 34 N 7.72 2.04 0.36 1.96 -6.30 -1.24 -4.30 118.70 118.94 1ppx s GLU 34 Ca 0.78 -2.26 0.09 0.00 -2.50 0.00 0.00 54.97 51.08 1ppx s GLU 34 Cb -0.20 -1.18 -0.07 0.00 0.00 0.00 0.00 34.13 32.68 1ppx s GLU 34 CO 0.19 -0.36 -0.06 -0.59 0.02 0.00 0.00 175.26 174.46 1ppx s PHE 35 N -3.01 2.44 1.06 5.30 -0.71 -1.26 -2.16 117.98 119.65 1ppx s PHE 35 Ca 0.17 -0.54 -0.21 0.00 -1.04 0.00 0.00 56.93 55.31 1ppx s PHE 35 Cb 0.03 -1.49 -0.01 0.00 -1.21 0.00 0.00 43.02 40.34 1ppx s PHE 35 CO 0.09 0.54 -0.50 -0.35 -1.34 0.00 0.00 175.22 173.66 1ppx n PRO 36 N -0.85 -0.90 0.00 1.99 -0.04 -1.26 -4.72 135.00 129.22 1ppx n PRO 36 Ca -0.05 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1ppx n PRO 36 Cb 0.64 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 2.53 0.83 2.80 0.55 0.00 -1.25 -2.81 105.19 107.83 1ppx n GLY 37 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 0.88 0.00 -0.02 0.00 -1.25 -2.97 107.32 102.26 1ppx s GLY 38 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1ppx s GLY 38 CO 0.00 1.26 0.00 1.17 0.00 0.00 0.00 173.10 175.53 1ppx n LYS 39 N 4.94 0.00 0.03 2.90 4.81 -1.26 -4.99 118.16 124.58 1ppx n LYS 39 Ca -0.10 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.55 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 0.54 0.00 3.15 3.07 -1.81 -3.14 117.51 119.32 1ppx h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1ppx h ILE 40 Cb 0.00 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.23 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 -4.04 0.00 0.00 0.16 0.28 -1.23 -4.36 120.64 111.44 1ppx n GLU 41 Ca 0.09 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1ppx n GLU 41 Cb 0.64 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1ppx n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1ppx n MET 42 N -0.83 0.00 -0.98 3.44 2.81 -1.19 -2.57 117.12 117.80 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 -0.39 0.06 3.03 0.00 -1.26 -5.12 105.19 101.51 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 -0.09 0.84 -4.08 1.61 4.71 -1.06 -5.09 120.64 117.48 1ppx n GLU 44 Ca -0.04 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.16 56.84 1ppx n GLU 44 Cb 0.41 -0.01 -0.04 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 0.64 4.63 0.61 2.62 2.01 -1.26 -4.77 115.64 120.12 1ppx s THR 45 Ca 0.01 -1.25 0.25 0.00 0.31 0.00 0.00 61.69 61.01 1ppx s THR 45 Cb -0.00 -3.48 0.36 0.00 0.01 0.00 0.00 72.50 69.38 1ppx s THR 45 CO 0.01 -0.30 1.46 1.55 -0.69 0.00 0.00 174.62 176.65 1ppx h PRO 46 N 1.61 0.00 0.00 4.92 0.13 -1.98 1.27 132.00 137.95 1ppx h PRO 46 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ppx h PRO 46 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1ppx h PRO 46 CO 0.61 0.00 -0.80 0.39 -0.23 0.00 0.00 178.00 177.97 1ppx n GLU 47 N -3.29 0.49 0.00 0.86 4.71 -1.26 -4.44 120.64 117.71 1ppx n GLU 47 Ca 0.16 0.46 0.15 0.00 -0.01 0.00 0.00 57.16 57.92 1ppx n GLU 47 Cb 1.22 -1.64 0.76 0.00 -1.01 0.00 0.00 31.44 30.77 1ppx n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ppx n GLN 48 N -4.54 0.55 0.34 3.49 10.64 -0.78 -3.44 117.38 123.63 1ppx n GLN 48 Ca -0.14 -0.04 -0.16 0.00 -1.83 0.00 0.00 57.00 54.83 1ppx n GLN 48 Cb 0.40 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.20 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ppx h ALA 49 N 3.53 -0.85 0.13 2.61 0.00 0.14 -2.59 119.26 122.23 1ppx h ALA 49 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1ppx h ALA 49 Cb 0.26 0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ppx h ALA 49 CO 0.00 -0.91 -0.98 -0.24 0.00 0.00 0.00 179.25 177.12 1ppx h VAL 50 N -0.99 1.41 -0.97 0.00 3.04 -1.78 -3.04 116.25 113.90 1ppx h VAL 50 Ca -0.09 -2.46 0.23 0.00 -1.01 0.00 0.00 66.70 63.37 1ppx h VAL 50 Cb 0.69 2.96 -0.08 0.00 -2.01 0.00 0.00 31.29 32.85 1ppx h VAL 50 CO 0.14 0.72 0.64 0.58 -1.01 0.00 0.00 177.57 178.64 1ppx h VAL 51 N -0.09 0.61 0.02 1.51 2.07 -1.65 1.03 116.25 119.75 1ppx h VAL 51 Ca -0.16 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ppx h VAL 51 Cb 1.73 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ppx h VAL 51 CO 0.19 0.07 -0.01 0.03 0.02 0.00 0.00 177.57 177.87 1ppx h ARG 52 N 0.41 -0.03 0.00 1.57 -0.00 -1.54 -3.26 114.38 111.53 1ppx h ARG 52 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.01 1ppx h ARG 52 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.31 1ppx h ARG 52 CO -0.23 0.69 0.00 0.93 0.00 0.00 0.00 179.97 181.37 1ppx h GLU 53 N -0.93 0.00 -0.61 0.04 4.39 -1.22 -2.52 114.58 113.72 1ppx h GLU 53 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1ppx h GLU 53 Cb 0.73 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 1ppx h GLU 53 CO 0.00 0.00 0.33 1.25 -1.16 0.00 0.00 179.01 179.43 1ppx h LEU 54 N 0.00 0.47 -1.64 1.33 5.85 0.10 0.16 115.31 121.59 1ppx h LEU 54 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ppx h LEU 54 Cb 0.17 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1ppx h LEU 54 CO 0.00 0.31 -0.20 1.56 -0.34 0.00 0.00 178.44 179.77 1ppx h GLN 55 N 0.61 0.00 0.01 1.25 7.50 -1.58 0.48 115.11 123.38 1ppx h GLN 55 Ca 0.27 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 59.24 1ppx h GLN 55 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1ppx h GLN 55 CO -0.18 0.20 -0.88 1.49 -1.50 0.00 0.00 178.83 177.96 1ppx h GLU 56 N 0.00 0.04 -0.30 1.46 4.22 -0.88 0.20 114.58 119.32 1ppx h GLU 56 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1ppx h GLU 56 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ppx h GLU 56 CO 0.03 0.89 0.00 -1.91 -2.18 0.00 0.00 179.01 175.84 1ppx n GLU 57 N -3.54 2.21 0.00 1.92 4.07 0.30 0.17 120.64 125.77 1ppx n GLU 57 Ca -0.01 -1.90 0.00 0.00 -0.06 0.00 0.00 57.16 55.19 1ppx n GLU 57 Cb 0.83 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ppx n VAL 58 N 0.77 0.00 0.00 6.31 0.31 0.16 -4.20 118.33 121.68 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 0.43 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 59 N 2.08 0.40 2.98 2.92 0.00 0.70 0.23 105.19 114.50 1ppx n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.35 -1.26 -4.86 119.36 103.53 1ppx n ILE 60 Ca 0.00 -0.68 -0.35 0.00 -0.27 0.00 0.00 62.75 61.45 1ppx n ILE 60 Cb 0.00 -1.51 -0.10 0.00 -1.74 0.00 0.00 39.64 36.29 1ppx n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1ppx s THR 61 N -3.12 3.61 0.04 7.28 -4.23 -1.26 -4.93 115.64 113.03 1ppx s THR 61 Ca 0.59 -3.18 0.05 0.00 -1.18 0.00 0.00 61.69 57.96 1ppx s THR 61 Cb -0.03 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1ppx s THR 61 CO 0.42 -0.90 -0.07 -2.16 -0.54 0.00 0.00 174.62 171.37 1ppx s PRO 62 N -0.32 2.42 -1.24 3.99 0.04 -1.26 -3.23 135.00 135.40 1ppx s PRO 62 Ca 0.19 -0.82 -0.20 0.00 0.04 0.00 0.00 61.00 60.20 1ppx s PRO 62 Cb -0.19 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1ppx s PRO 62 CO -0.04 0.57 1.85 1.04 0.04 0.00 0.00 177.00 180.45 1ppx n GLN 63 N 1.24 2.37 -5.01 4.56 6.02 -0.45 -4.85 117.38 121.27 1ppx n GLN 63 Ca -0.14 -2.84 -0.31 0.00 -0.01 0.00 0.00 57.00 53.69 1ppx n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 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 7.62 2.47 0.00 1.08 2.46 -1.25 -1.30 115.29 126.37 1ppx s HIS 64 Ca 0.61 -1.07 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1ppx s HIS 64 Cb 0.02 -1.67 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1ppx s HIS 64 CO 0.11 -0.46 0.00 0.34 -2.47 0.00 0.00 174.74 172.26 1ppx n PHE 65 N 3.70 0.00 -1.38 3.88 7.35 -1.25 -4.95 117.46 124.81 1ppx n PHE 65 Ca -0.20 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.61 1ppx n PHE 65 Cb 0.52 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.29 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ppx n SER 66 N 0.00 -6.93 -4.07 -2.13 7.64 -1.24 -2.16 113.62 104.73 1ppx n SER 66 Ca 0.00 1.36 -0.32 0.00 1.01 0.00 0.00 58.87 60.92 1ppx n SER 66 Cb 0.00 -4.59 -0.15 0.00 -1.01 0.00 0.00 64.21 58.46 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 -6.57 3.55 0.01 -3.43 0.20 -1.26 0.10 118.68 111.27 1ppx s LEU 67 Ca 0.00 -1.44 -0.19 0.00 0.69 0.00 0.00 54.13 53.19 1ppx s LEU 67 Cb 0.00 -1.56 -0.25 0.00 -0.43 0.00 0.00 46.19 43.94 1ppx s LEU 67 CO 0.00 -0.20 1.07 0.15 -0.29 0.00 0.00 176.35 177.08 1ppx h PHE 68 N 7.77 0.67 -1.88 5.38 3.04 -1.73 -3.43 116.94 126.78 1ppx h PHE 68 Ca -0.18 -0.39 0.22 0.00 3.98 0.00 0.00 57.97 61.60 1ppx h PHE 68 Cb 1.04 -0.07 -0.13 0.00 2.56 0.00 0.00 35.95 39.35 1ppx h PHE 68 CO 0.63 1.23 0.66 -1.21 -2.02 0.00 0.00 178.31 177.60 1ppx s GLU 69 N -3.06 0.69 -0.06 1.11 2.02 -0.95 -5.00 118.70 113.46 1ppx s GLU 69 Ca -0.13 -0.33 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1ppx s GLU 69 Cb 0.03 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.56 1ppx s GLU 69 CO 0.84 -0.31 0.13 -1.59 0.02 0.00 0.00 175.26 174.35 1ppx s LYS 70 N -2.81 0.09 -0.17 1.61 0.00 -1.26 -0.27 119.74 116.94 1ppx s LYS 70 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.39 1ppx s LYS 70 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 37.83 37.70 1ppx s LYS 70 CO -0.03 -0.13 -0.16 -1.17 0.00 0.00 0.00 175.35 173.86 1ppx s LEU 71 N 0.93 2.42 -0.25 2.77 2.96 0.23 -4.95 118.68 122.79 1ppx s LEU 71 Ca -0.07 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1ppx s LEU 71 Cb -0.09 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.10 1ppx s LEU 71 CO -0.04 0.06 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.25 1ppx s GLU 72 N 0.98 2.08 0.03 1.98 2.12 -1.26 -0.40 118.70 124.22 1ppx s GLU 72 Ca -0.02 -1.26 -0.02 0.00 0.36 0.00 0.00 54.97 54.04 1ppx s GLU 72 Cb -0.15 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 1ppx s GLU 72 CO -0.03 -0.58 0.00 -0.47 -0.54 0.00 0.00 175.26 173.64 1ppx s TYR 73 N 1.18 0.30 -0.05 5.30 5.04 -1.21 -5.03 117.35 122.88 1ppx s TYR 73 Ca -0.08 -0.63 0.04 0.00 -2.44 0.00 0.00 57.07 53.95 1ppx s TYR 73 Cb -0.20 -0.22 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 1ppx s TYR 73 CO -0.05 -0.27 -0.14 -1.83 -1.34 0.00 0.00 175.55 171.91 1ppx s GLU 74 N -2.25 2.48 0.31 4.97 -1.05 -1.26 -2.47 118.70 119.43 1ppx s GLU 74 Ca -0.08 -0.71 0.07 0.00 -0.15 0.00 0.00 54.97 54.10 1ppx s GLU 74 Cb -0.04 -2.37 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 1ppx s GLU 74 CO -0.04 0.62 0.34 -0.06 0.95 0.00 0.00 175.26 177.07 1ppx s PHE 75 N -0.74 3.05 -0.19 4.83 0.40 0.33 -4.89 117.98 120.77 1ppx s PHE 75 Ca 0.12 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1ppx s PHE 75 Cb -0.11 -1.77 -0.06 0.00 0.51 0.00 0.00 43.02 41.60 1ppx s PHE 75 CO 0.01 0.20 1.22 -2.30 0.70 0.00 0.00 175.22 175.05 1ppx n PRO 76 N -1.42 0.01 -1.24 0.24 -0.02 -1.26 0.17 135.00 131.47 1ppx n PRO 76 Ca -0.03 -0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.28 1ppx n PRO 76 Cb 0.59 -1.20 -0.03 0.00 -0.02 0.00 0.00 33.50 32.84 1ppx n PRO 76 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ppx n ASP 77 N 5.67 -3.75 -3.56 2.55 2.03 -1.26 -4.98 116.55 113.25 1ppx n ASP 77 Ca 0.11 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.29 1ppx n ASP 77 Cb 0.45 -1.90 -0.13 0.00 -0.72 0.00 0.00 41.12 38.82 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ppx s ARG 78 N -2.65 0.59 -0.71 -0.67 3.52 0.44 -3.63 118.95 115.84 1ppx s ARG 78 Ca 0.00 -1.19 -0.26 0.00 -0.13 0.00 0.00 55.73 54.14 1ppx s ARG 78 Cb 0.00 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1ppx s ARG 78 CO 0.00 -1.12 1.60 -1.58 -0.81 0.00 0.00 175.30 173.39 1ppx s HIS 79 N 1.30 1.97 -0.39 5.12 2.46 0.64 0.12 115.29 126.52 1ppx s HIS 79 Ca 0.14 0.34 -0.15 0.00 0.47 0.00 0.00 55.06 55.87 1ppx s HIS 79 Cb -0.21 -4.34 0.01 0.00 -0.13 0.00 0.00 32.58 27.91 1ppx s HIS 79 CO -0.12 -2.16 0.29 -1.50 -2.47 0.00 0.00 174.74 168.78 1ppx s ILE 80 N 7.53 5.25 -0.17 0.89 2.07 -1.03 0.90 121.20 136.65 1ppx s ILE 80 Ca 0.53 -0.47 -0.09 0.00 -1.41 0.00 0.00 60.65 59.21 1ppx s ILE 80 Cb -0.10 -3.87 -0.05 0.00 0.13 0.00 0.00 42.46 38.58 1ppx s ILE 80 CO 0.15 -0.22 0.12 -0.89 -1.91 0.00 0.00 174.94 172.20 1ppx s THR 81 N 1.74 5.36 -0.19 4.00 2.01 -0.06 -3.32 115.64 125.18 1ppx s THR 81 Ca 0.06 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1ppx s THR 81 Cb -0.18 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 68.97 1ppx s THR 81 CO 0.10 0.51 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.70 1ppx s LEU 82 N -0.16 2.06 -0.21 4.42 1.43 0.46 0.13 118.68 126.82 1ppx s LEU 82 Ca 0.10 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1ppx s LEU 82 Cb -0.11 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1ppx s LEU 82 CO 0.00 -0.17 -0.02 0.26 0.23 0.00 0.00 176.35 176.66 1ppx s TRP 83 N 1.48 2.99 -0.21 0.29 0.51 0.12 0.77 118.94 124.90 1ppx s TRP 83 Ca -0.01 -0.66 -0.07 0.00 -2.12 0.00 0.00 56.10 53.24 1ppx s TRP 83 Cb -0.16 -2.09 -0.03 0.00 -0.81 0.00 0.00 33.47 30.37 1ppx s TRP 83 CO -0.08 -0.38 0.05 -0.06 -0.51 0.00 0.00 176.95 175.98 1ppx s PHE 84 N 1.21 3.14 0.06 -1.98 0.40 0.63 0.16 117.98 121.61 1ppx s PHE 84 Ca 0.03 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1ppx s PHE 84 Cb -0.14 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1ppx s PHE 84 CO 0.00 -0.09 0.02 -1.58 0.70 0.00 0.00 175.22 174.27 1ppx s TRP 85 N 0.90 3.05 -0.51 0.36 0.52 0.34 -2.24 118.94 121.35 1ppx s TRP 85 Ca 0.03 0.02 -0.16 0.00 0.02 0.00 0.00 56.10 56.01 1ppx s TRP 85 Cb -0.14 -1.59 0.09 0.00 -1.15 0.00 0.00 33.47 30.69 1ppx s TRP 85 CO 0.02 0.48 0.49 -1.17 0.02 0.00 0.00 176.95 176.80 1ppx s LEU 86 N -2.11 5.72 0.32 2.99 2.96 0.11 -2.71 118.68 125.97 1ppx s LEU 86 Ca 0.25 -1.46 -0.23 0.00 -0.22 0.00 0.00 54.13 52.47 1ppx s LEU 86 Cb -0.12 -2.24 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 1ppx s LEU 86 CO 0.17 -0.80 0.89 -0.69 -1.32 0.00 0.00 176.35 174.59 1ppx s VAL 87 N 1.86 4.34 -0.12 1.68 1.01 -1.15 -3.66 120.40 124.36 1ppx s VAL 87 Ca 0.06 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.70 1ppx s VAL 87 Cb -0.26 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1ppx s VAL 87 CO 0.06 0.06 -0.04 1.21 0.00 0.00 0.00 175.10 176.38 1ppx n GLU 88 N 0.34 1.27 -3.66 2.72 2.13 -1.12 -3.82 120.64 118.50 1ppx n GLU 88 Ca 0.02 0.04 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 1ppx n GLU 88 Cb 0.51 -1.27 -0.02 0.00 0.27 0.00 0.00 31.44 30.93 1ppx n GLU 88 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1ppx s ARG 89 N -2.26 1.38 -0.17 5.31 1.04 -0.42 -4.48 118.95 119.34 1ppx s ARG 89 Ca -0.12 -0.67 -0.09 0.00 -1.04 0.00 0.00 55.73 53.81 1ppx s ARG 89 Cb 0.04 0.53 0.06 0.00 -2.04 0.00 0.00 34.95 33.54 1ppx s ARG 89 CO 0.37 -0.62 0.41 1.67 -0.04 0.00 0.00 175.30 177.09 1ppx s TRP 90 N -3.62 -0.59 0.28 5.89 -2.14 -1.22 -1.34 118.94 116.20 1ppx s TRP 90 Ca 0.08 1.27 -0.29 0.00 2.66 0.00 0.00 56.10 59.82 1ppx s TRP 90 Cb -0.03 0.26 -0.09 0.00 -3.10 0.00 0.00 33.47 30.51 1ppx s TRP 90 CO -0.02 -0.34 1.04 -2.00 -2.66 0.00 0.00 176.95 172.97 1ppx s GLU 91 N 1.34 4.65 7.94 3.25 -6.30 -1.20 -4.77 118.70 123.61 1ppx s GLU 91 Ca -0.09 1.66 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1ppx s GLU 91 Cb -0.08 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 30.92 1ppx s GLU 91 CO -0.12 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.84 1ppx n GLY 92 N 1.15 3.88 3.11 -1.50 0.00 -1.26 -4.55 105.19 106.03 1ppx n GLY 92 Ca -0.01 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.80 0.01 1.61 2.02 -1.26 -5.12 118.70 116.75 1ppx s GLU 93 Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1ppx s GLU 93 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 1ppx s GLU 93 CO 0.00 0.19 1.11 -2.14 0.02 0.00 0.00 175.26 174.44 1ppx s PRO 94 N -1.10 4.46 0.22 0.39 0.02 -1.26 -4.65 135.00 133.08 1ppx s PRO 94 Ca -0.00 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1ppx s PRO 94 Cb -0.08 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1ppx s PRO 94 CO 0.01 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1ppx n TRP 95 N 4.24 -1.66 0.00 6.54 4.27 -0.12 -5.03 117.44 125.68 1ppx n TRP 95 Ca 0.08 0.29 0.00 0.00 -3.89 0.00 0.00 57.50 53.99 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 2.15 0.63 0.00 -1.67 0.00 0.14 -3.69 105.19 102.74 1ppx n GLY 96 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.24 1.61 3.00 0.44 -4.70 118.16 118.75 1ppx n LYS 97 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1ppx n LYS 97 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 35.03 35.62 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ppx h GLU 98 N 0.00 0.00 -2.81 1.64 4.11 -1.73 -3.46 114.58 112.33 1ppx h GLU 98 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1ppx h GLU 98 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ppx h GLU 98 CO 0.00 0.19 -0.44 0.41 0.07 0.00 0.00 179.01 179.24 1ppx n GLY 99 N -0.65 -0.28 2.49 1.06 0.00 -1.26 -4.98 105.19 101.56 1ppx n GLY 99 Ca -0.02 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.06 0.47 -0.12 1.61 -1.52 -1.26 -5.12 119.66 108.66 1ppx s GLN 100 Ca 0.09 -1.13 -0.41 0.00 -1.95 0.00 0.00 55.36 51.97 1ppx s GLN 100 Cb -0.04 -1.23 -0.18 0.00 -0.22 0.00 0.00 33.01 31.33 1ppx s GLN 100 CO 0.11 -1.17 1.36 -2.30 -0.25 0.00 0.00 175.29 173.05 1ppx n PRO 101 N 4.32 0.51 -4.40 2.91 -0.02 -1.26 -4.53 135.00 132.52 1ppx n PRO 101 Ca 0.08 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1ppx n PRO 101 Cb 0.38 -1.75 -0.08 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.32 2.37 0.07 -1.23 0.00 -1.26 -3.34 107.32 105.25 1ppx s GLY 102 Ca 0.93 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 1ppx s GLY 102 CO 0.61 -1.67 0.33 -1.83 0.00 0.00 0.00 173.10 170.54 1ppx s GLU 103 N -3.68 0.90 -0.44 2.90 -1.05 -1.04 -4.94 118.70 111.36 1ppx s GLU 103 Ca 0.32 -0.62 -0.28 0.00 -0.15 0.00 0.00 54.97 54.24 1ppx s GLU 103 Cb 0.03 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1ppx s GLU 103 CO 0.19 -0.31 1.80 -1.58 0.95 0.00 0.00 175.26 176.31 1ppx s TRP 104 N -3.11 1.79 0.10 4.83 0.51 -1.26 -3.12 118.94 118.68 1ppx s TRP 104 Ca -0.01 0.71 0.10 0.00 -2.12 0.00 0.00 56.10 54.78 1ppx s TRP 104 Cb 0.01 -4.12 -0.04 0.00 -0.81 0.00 0.00 33.47 28.52 1ppx s TRP 104 CO -0.07 -2.64 -0.26 0.00 -0.51 0.00 0.00 176.95 173.47 1ppx s MET 105 N 6.14 1.50 -0.23 4.98 0.23 0.63 -4.90 119.30 127.64 1ppx s MET 105 Ca 0.74 -1.25 -0.29 0.00 -1.03 0.00 0.00 55.69 53.86 1ppx s MET 105 Cb -0.18 -1.88 -0.02 0.00 -1.53 0.00 0.00 34.83 31.22 1ppx s MET 105 CO 0.29 0.46 1.55 -1.54 -2.03 0.00 0.00 175.02 173.75 1ppx s SER 106 N -1.77 6.44 0.57 -1.18 1.04 -1.26 0.71 113.70 118.24 1ppx s SER 106 Ca 0.13 1.54 0.38 0.00 0.48 0.00 0.00 55.95 58.48 1ppx s SER 106 Cb -0.10 -2.53 2.01 0.00 0.10 0.00 0.00 66.02 65.50 1ppx s SER 106 CO 0.05 -1.22 2.16 0.25 0.98 0.00 0.00 173.24 175.46 1ppx h LEU 107 N 11.52 0.00 0.00 2.42 7.12 -1.86 -2.22 115.31 132.29 1ppx h LEU 107 Ca -0.32 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.69 1ppx h LEU 107 Cb 1.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1ppx h LEU 107 CO 1.01 0.00 0.02 0.55 -0.13 0.00 0.00 178.44 179.88 1ppx n VAL 108 N -2.88 1.86 -2.58 1.05 3.14 -1.26 -2.21 118.33 115.45 1ppx n VAL 108 Ca -0.02 0.48 -0.16 0.00 -2.96 0.00 0.00 64.34 61.68 1ppx n VAL 108 Cb 0.09 -1.48 0.02 0.00 -1.06 0.00 0.00 33.84 31.41 1ppx n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppx n GLY 109 N -1.46 3.45 3.77 7.55 0.00 -0.83 -4.90 105.19 112.76 1ppx n GLY 109 Ca 0.00 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.32 4.19 -0.21 0.99 1.98 -0.94 -5.01 118.68 116.37 1ppx s LEU 110 Ca 0.36 2.87 0.02 0.00 -2.89 0.00 0.00 54.13 54.48 1ppx s LEU 110 Cb 0.43 -3.86 0.04 0.00 0.66 0.00 0.00 46.19 43.45 1ppx s LEU 110 CO -0.06 -1.01 -0.16 0.21 -1.89 0.00 0.00 176.35 173.44 1ppx s ASN 111 N -0.50 3.67 0.27 3.68 3.04 -1.26 -4.87 114.94 118.98 1ppx s ASN 111 Ca 0.58 -0.96 0.25 0.00 0.04 0.00 0.00 52.86 52.77 1ppx s ASN 111 Cb -0.43 -1.51 0.97 0.00 -1.54 0.00 0.00 41.25 38.74 1ppx s ASN 111 CO 0.55 -0.08 1.74 0.00 -3.04 0.00 0.00 177.10 176.28 1ppx h ALA 112 N 7.87 1.00 0.02 1.71 0.00 -1.95 -2.77 119.26 125.15 1ppx h ALA 112 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ppx h ALA 112 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ppx h ALA 112 CO 0.56 0.00 -0.13 -0.44 0.00 0.00 0.00 179.25 179.24 1ppx h ASP 113 N 0.00 0.09 0.11 0.00 5.19 -1.96 -3.35 116.42 116.49 1ppx h ASP 113 Ca 0.00 -0.94 -0.11 0.00 -0.62 0.00 0.00 57.03 55.36 1ppx h ASP 113 Cb 0.46 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1ppx h ASP 113 CO 0.00 1.02 -0.36 0.44 -3.12 0.00 0.00 179.24 177.23 1ppx h ASP 114 N -0.84 0.36 -3.82 6.45 5.19 -1.78 -3.43 116.42 118.56 1ppx h ASP 114 Ca -0.02 -0.14 -0.46 0.00 -0.62 0.00 0.00 57.03 55.79 1ppx h ASP 114 Cb 1.06 -0.10 0.12 0.00 0.18 0.00 0.00 39.33 40.58 1ppx h ASP 114 CO 0.03 0.70 0.32 0.72 -3.12 0.00 0.00 179.24 177.89 1ppx s PHE 115 N -4.28 2.25 0.02 4.55 -0.71 -1.05 -0.87 117.98 117.89 1ppx s PHE 115 Ca -0.06 0.36 -0.30 0.00 -1.04 0.00 0.00 56.93 55.89 1ppx s PHE 115 Cb 0.13 -3.58 -0.05 0.00 -1.21 0.00 0.00 43.02 38.32 1ppx s PHE 115 CO 0.78 -1.99 1.23 -1.25 -1.34 0.00 0.00 175.22 172.65 1ppx s PRO 116 N -5.54 4.38 0.32 1.99 0.04 -0.26 -4.40 135.00 131.54 1ppx s PRO 116 Ca 0.66 1.77 0.22 0.00 0.04 0.00 0.00 61.00 63.70 1ppx s PRO 116 Cb -0.07 -3.44 1.18 0.00 0.04 0.00 0.00 34.50 32.20 1ppx s PRO 116 CO 0.49 -0.37 1.67 -0.35 0.04 0.00 0.00 177.00 178.48 1ppx n PRO 117 N 4.53 0.14 0.00 0.56 -0.04 -1.26 -2.14 135.00 136.79 1ppx n PRO 117 Ca 0.10 0.64 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 1ppx n PRO 117 Cb 0.46 -1.96 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 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 1.46 -2.35 0.55 0.00 -1.26 -2.78 120.51 114.35 1ppx n ALA 118 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1ppx n ALA 118 Cb 0.03 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 2.83 -0.05 0.00 3.02 -0.91 -4.86 115.26 113.80 1ppx n ASN 119 Ca 0.02 -2.89 -0.15 0.00 -0.03 0.00 0.00 54.58 51.53 1ppx n ASN 119 Cb 0.11 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ppx h GLU 120 N 2.09 0.53 -0.96 3.52 4.81 -1.70 -1.59 114.58 121.29 1ppx h GLU 120 Ca 0.06 -0.36 0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1ppx h GLU 120 Cb 1.41 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.77 1ppx h GLU 120 CO 0.38 0.97 0.61 -1.35 -0.73 0.00 0.00 179.01 178.89 1ppx h PRO 121 N 0.17 0.88 0.02 0.92 0.11 -1.89 1.60 132.00 133.80 1ppx h PRO 121 Ca -0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ppx h PRO 121 Cb 0.98 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ppx h PRO 121 CO 0.08 0.58 -0.01 0.28 -0.21 0.00 0.00 178.00 178.72 1ppx h VAL 122 N 0.90 1.48 0.00 3.15 2.07 -1.94 -3.32 116.25 118.59 1ppx h VAL 122 Ca 0.47 -1.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 1ppx h VAL 122 Cb 0.53 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1ppx h VAL 122 CO -0.23 0.47 -0.37 0.40 0.02 0.00 0.00 177.57 177.86 1ppx h ILE 123 N -0.90 1.25 -0.58 4.57 1.08 -1.04 -2.62 117.51 119.27 1ppx h ILE 123 Ca -0.00 -1.26 0.15 0.00 -0.39 0.00 0.00 64.86 63.36 1ppx h ILE 123 Cb 0.78 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 1ppx h ILE 123 CO 0.00 0.36 0.41 0.00 -0.69 0.00 0.00 178.15 178.23 1ppx h ALA 124 N 1.63 2.41 0.13 1.87 0.00 0.22 1.51 119.26 127.04 1ppx h ALA 124 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ppx h ALA 124 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ppx h ALA 124 CO 0.05 -0.58 -0.06 0.87 0.00 0.00 0.00 179.25 179.53 1ppx h LYS 125 N 0.10 -0.17 0.00 0.00 6.56 -1.58 -2.67 116.57 118.80 1ppx h LYS 125 Ca 0.28 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1ppx h LYS 125 Cb 0.97 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1ppx h LYS 125 CO -0.03 0.25 0.00 1.25 -2.06 0.00 0.00 179.45 178.87 1ppx h LEU 126 N -0.67 0.00 -0.17 2.94 5.85 -1.40 -3.23 115.31 118.64 1ppx h LEU 126 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1ppx h LEU 126 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1ppx h LEU 126 CO 0.03 0.00 -0.47 0.50 -0.34 0.00 0.00 178.44 178.16 1ppx h LYS 127 N 0.00 0.62 0.00 1.25 3.64 0.21 -2.78 116.57 119.51 1ppx h LYS 127 Ca 0.00 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1ppx h LYS 127 Cb 0.89 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1ppx h LYS 127 CO 0.00 1.06 0.00 -2.13 -2.27 0.00 0.00 179.45 176.11 1ppx n ARG 128 N -4.20 0.47 0.00 1.90 0.63 -1.01 -4.51 116.66 109.95 1ppx n ARG 128 Ca -0.07 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1ppx n ARG 128 Cb 0.58 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1ppx n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59