#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppx s LYS 2 N 0.00 2.34 -0.20 2.12 2.47 -1.26 -5.07 119.74 120.15 1ppx s LYS 2 Ca 0.00 -1.62 -0.05 0.00 -1.56 0.00 0.00 55.97 52.74 1ppx s LYS 2 Cb 0.00 -3.67 -0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1ppx s LYS 2 CO 0.00 -1.00 0.00 -1.59 0.16 0.00 0.00 175.35 172.92 1ppx s LYS 3 N 1.29 3.65 -0.02 4.03 0.00 -1.26 -2.47 119.74 124.97 1ppx s LYS 3 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 55.97 55.57 1ppx s LYS 3 Cb -0.23 -3.08 -0.01 0.00 0.00 0.00 0.00 37.83 34.51 1ppx s LYS 3 CO -0.01 0.05 -0.19 -0.48 0.00 0.00 0.00 175.35 174.72 1ppx s LEU 4 N 0.89 2.02 0.16 2.77 0.05 0.28 -4.93 118.68 119.93 1ppx s LEU 4 Ca 0.01 -0.35 0.04 0.00 0.05 0.00 0.00 54.13 53.88 1ppx s LEU 4 Cb -0.14 -1.00 -0.04 0.00 -2.05 0.00 0.00 46.19 42.97 1ppx s LEU 4 CO 0.02 0.22 0.23 -1.10 -0.55 0.00 0.00 176.35 175.17 1ppx s GLN 5 N -0.36 3.21 -0.11 1.48 -0.21 -1.26 -2.14 119.66 120.27 1ppx s GLN 5 Ca 0.05 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 1ppx s GLN 5 Cb -0.08 -2.82 0.05 0.00 1.00 0.00 0.00 33.01 31.16 1ppx s GLN 5 CO -0.00 0.50 0.24 0.42 -2.12 0.00 0.00 175.29 174.32 1ppx s ILE 6 N -1.77 -0.16 -0.12 1.08 1.01 0.29 -3.52 121.20 118.01 1ppx s ILE 6 Ca 0.33 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1ppx s ILE 6 Cb -0.10 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1ppx s ILE 6 CO 0.26 0.08 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 1ppx s ALA 7 N 1.64 1.79 0.31 9.38 0.00 -1.10 -0.80 121.76 132.98 1ppx s ALA 7 Ca -0.06 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1ppx s ALA 7 Cb -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1ppx s ALA 7 CO -0.08 -0.14 -0.11 0.14 0.00 0.00 0.00 175.76 175.57 1ppx s VAL 8 N 1.08 2.52 -0.09 0.00 -7.23 0.44 -3.76 120.40 113.36 1ppx s VAL 8 Ca -0.04 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 57.88 1ppx s VAL 8 Cb -0.14 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.29 1ppx s VAL 8 CO -0.04 -0.30 0.11 -0.83 -0.31 0.00 0.00 175.10 173.73 1ppx s GLY 9 N -3.59 0.18 -0.61 2.32 0.00 -1.06 -0.54 107.32 104.02 1ppx s GLY 9 Ca 0.32 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.97 1ppx s GLY 9 CO 0.17 1.60 1.81 -0.42 0.00 0.00 0.00 173.10 176.25 1ppx s ILE 10 N 2.21 3.39 0.01 0.90 1.09 -0.62 -4.46 121.20 123.72 1ppx s ILE 10 Ca 0.04 0.24 -0.30 0.00 -1.10 0.00 0.00 60.65 59.53 1ppx s ILE 10 Cb -0.13 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.21 1ppx s ILE 10 CO -0.06 -0.96 1.37 -0.63 -0.10 0.00 0.00 174.94 174.56 1ppx s ILE 11 N 8.70 3.75 -0.28 2.92 1.01 -1.26 -2.26 121.20 133.78 1ppx s ILE 11 Ca 0.65 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 62.32 1ppx s ILE 11 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1ppx s ILE 11 CO 0.21 0.01 0.28 -0.13 0.00 0.00 0.00 174.94 175.31 1ppx s ARG 12 N 2.18 3.98 0.35 2.79 1.81 -1.20 -0.34 118.95 128.52 1ppx s ARG 12 Ca 0.63 -0.15 -0.06 0.00 -1.72 0.00 0.00 55.73 54.42 1ppx s ARG 12 Cb -0.31 -3.66 0.09 0.00 -0.45 0.00 0.00 34.95 30.62 1ppx s ARG 12 CO 0.27 -0.23 0.34 0.27 -0.68 0.00 0.00 175.30 175.27 1ppx n ASN 13 N 5.19 -1.11 -0.23 0.23 0.23 0.54 -2.60 115.26 117.51 1ppx n ASN 13 Ca -0.11 -0.77 0.01 0.00 -0.53 0.00 0.00 54.58 53.17 1ppx n ASN 13 Cb 0.51 -0.30 0.02 0.00 -2.08 0.00 0.00 39.78 37.94 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 -2.39 1.15 -1.89 -3.83 2.13 -1.26 -3.74 120.64 110.81 1ppx n GLU 14 Ca 0.05 -0.18 -0.01 0.00 0.66 0.00 0.00 57.16 57.67 1ppx n GLU 14 Cb 0.18 -1.18 0.06 0.00 0.27 0.00 0.00 31.44 30.76 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 -0.25 1.89 0.00 4.31 5.15 -1.26 -4.95 115.26 120.15 1ppx n ASN 15 Ca 0.02 -2.56 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1ppx n ASN 15 Cb 0.12 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1ppx n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ppx n ASN 16 N -0.31 -2.90 -4.95 1.20 3.02 -1.25 -4.95 115.26 105.13 1ppx n ASN 16 Ca 0.14 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.49 1ppx n ASN 16 Cb 0.93 -2.52 -0.02 0.00 -0.61 0.00 0.00 39.78 37.56 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppx s GLU 17 N -1.25 3.26 -0.01 3.52 0.41 -1.26 -4.64 118.70 118.73 1ppx s GLU 17 Ca 0.00 -0.89 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 1ppx s GLU 17 Cb 0.00 -2.81 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1ppx s GLU 17 CO 0.00 0.30 -0.22 0.42 -0.49 0.00 0.00 175.26 175.28 1ppx s ILE 18 N -2.07 2.43 -0.82 -1.63 1.01 0.53 0.20 121.20 120.85 1ppx s ILE 18 Ca 0.37 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 1ppx s ILE 18 Cb -0.09 -1.91 0.14 0.00 0.01 0.00 0.00 42.46 40.61 1ppx s ILE 18 CO 0.29 0.52 0.94 0.12 0.00 0.00 0.00 174.94 176.81 1ppx s PHE 19 N -0.71 3.22 0.29 3.97 5.36 0.54 -1.37 117.98 129.28 1ppx s PHE 19 Ca 0.11 -1.39 0.08 0.00 -0.96 0.00 0.00 56.93 54.77 1ppx s PHE 19 Cb -0.10 -4.12 -0.04 0.00 -0.34 0.00 0.00 43.02 38.43 1ppx s PHE 19 CO 0.01 -1.34 0.18 0.42 -1.46 0.00 0.00 175.22 173.03 1ppx s ILE 20 N 2.17 3.83 -0.27 3.12 1.09 -1.26 -4.48 121.20 125.41 1ppx s ILE 20 Ca 0.24 -1.52 -0.23 0.00 -1.10 0.00 0.00 60.65 58.04 1ppx s ILE 20 Cb -0.11 -3.19 -0.01 0.00 -1.06 0.00 0.00 42.46 38.09 1ppx s ILE 20 CO -0.05 -0.28 0.74 0.42 -0.10 0.00 0.00 174.94 175.67 1ppx s THR 21 N -2.25 4.88 -0.07 2.92 -4.23 0.28 -4.11 115.64 113.06 1ppx s THR 21 Ca 0.35 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 62.12 1ppx s THR 21 Cb -0.06 -4.05 0.03 0.00 1.34 0.00 0.00 72.50 69.75 1ppx s THR 21 CO 0.24 -0.09 0.02 0.00 -0.54 0.00 0.00 174.62 174.25 1ppx s ARG 22 N 2.74 0.43 -0.60 3.99 1.70 -1.26 -1.38 118.95 124.57 1ppx s ARG 22 Ca 0.31 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.74 1ppx s ARG 22 Cb -0.15 -0.87 0.00 0.00 -0.57 0.00 0.00 34.95 33.36 1ppx s ARG 22 CO 0.09 -0.32 0.00 0.54 -1.08 0.00 0.00 175.30 174.54 1ppx n ARG 23 N 5.19 -2.36 -1.12 3.89 1.74 -1.26 -4.77 116.66 117.97 1ppx n ARG 23 Ca -0.06 0.34 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1ppx n ARG 23 Cb 0.50 -4.83 0.18 0.00 -1.02 0.00 0.00 32.46 27.29 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 -2.03 5.28 -0.02 7.54 0.00 -1.26 -4.13 120.51 125.88 1ppx n ALA 24 Ca -0.08 -2.62 0.03 0.00 0.00 0.00 0.00 53.44 50.77 1ppx n ALA 24 Cb 0.51 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx n ALA 25 N -0.93 2.28 -2.55 0.00 0.00 -1.26 -3.92 120.51 114.13 1ppx n ALA 25 Ca 0.54 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1ppx n ALA 25 Cb 1.56 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 20.66 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 -2.15 -6.71 -3.12 0.00 9.92 -1.26 -4.42 116.55 108.81 1ppx n ASP 26 Ca -0.08 0.50 -0.10 0.00 -0.53 0.00 0.00 54.79 54.58 1ppx n ASP 26 Cb 0.55 -4.47 0.05 0.00 -0.64 0.00 0.00 41.12 36.60 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ppx n ALA 27 N -0.24 -2.42 -0.68 2.24 0.00 -1.26 -4.93 120.51 113.22 1ppx n ALA 27 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ppx n ALA 27 Cb 0.32 -4.31 0.00 0.00 0.00 0.00 0.00 19.45 15.46 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 -2.72 -0.65 -3.46 0.00 8.25 -1.26 -5.06 115.22 110.32 1ppx n HIS 28 Ca -0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 1ppx n HIS 28 Cb 0.58 0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.75 1ppx n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ppx n MET 29 N -1.48 0.46 0.06 -0.41 0.00 -1.26 -4.93 117.12 109.56 1ppx n MET 29 Ca 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 57.70 54.33 1ppx n MET 29 Cb 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.42 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ppx h ALA 30 N 5.52 0.65 -0.38 3.17 0.00 -1.93 -3.31 119.26 122.98 1ppx h ALA 30 Ca 0.24 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ppx h ALA 30 Cb 0.88 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ppx h ALA 30 CO 0.43 0.85 0.00 -1.71 0.00 0.00 0.00 179.25 178.81 1ppx n ASN 31 N -2.99 2.83 -0.91 0.00 2.85 -1.26 -3.93 115.26 111.86 1ppx n ASN 31 Ca -0.06 -2.21 0.01 0.00 -0.11 0.00 0.00 54.58 52.21 1ppx n ASN 31 Cb 0.81 -0.41 0.21 0.00 1.24 0.00 0.00 39.78 41.63 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 0.58 1.98 -1.60 1.20 5.02 -0.92 -3.45 118.16 120.97 1ppx n LYS 32 Ca 0.15 -3.06 -0.65 0.00 -2.02 0.00 0.00 58.31 52.73 1ppx n LYS 32 Cb 0.53 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.12 0.00 -0.35 0.00 0.66 -4.30 117.00 113.11 1ppx n LEU 33 Ca 0.27 1.03 -0.02 0.00 0.00 0.00 0.00 56.01 57.29 1ppx n LEU 33 Cb 0.92 -0.90 0.01 0.00 0.00 0.00 0.00 43.42 43.45 1ppx n LEU 33 CO 0.13 -0.81 0.12 1.21 0.00 0.00 0.00 177.39 178.04 1ppx n GLU 34 N 5.07 0.26 -4.49 1.96 2.13 -0.48 -3.67 120.64 121.42 1ppx n GLU 34 Ca 0.38 -0.57 -0.25 0.00 0.66 0.00 0.00 57.16 57.38 1ppx n GLU 34 Cb -0.05 0.68 -0.10 0.00 0.27 0.00 0.00 31.44 32.24 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ppx s PHE 35 N -6.90 2.39 1.07 4.31 0.40 -1.26 1.00 117.98 118.98 1ppx s PHE 35 Ca 0.04 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.73 1ppx s PHE 35 Cb -0.01 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1ppx s PHE 35 CO 0.03 0.62 -0.56 -0.35 0.70 0.00 0.00 175.22 175.67 1ppx n PRO 36 N -0.75 -0.94 0.00 0.24 -0.04 -1.26 -4.67 135.00 127.57 1ppx n PRO 36 Ca -0.05 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1ppx n PRO 36 Cb 0.62 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.57 0.81 2.78 0.55 0.00 -1.25 -2.56 105.19 108.09 1ppx n GLY 37 Ca -0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.64 0.88 0.00 -0.02 0.00 -1.25 -2.70 107.32 102.61 1ppx s GLY 38 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1ppx s GLY 38 CO 0.00 1.32 0.00 1.17 0.00 0.00 0.00 173.10 175.59 1ppx n LYS 39 N 4.94 0.00 -0.06 2.90 4.81 -1.26 -5.00 118.16 124.49 1ppx n LYS 39 Ca -0.09 0.00 0.25 0.00 -0.87 0.00 0.00 58.31 57.60 1ppx n LYS 39 Cb 0.46 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.23 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 0.45 0.00 3.15 3.07 -1.81 -3.11 117.51 119.27 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 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 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 -3.98 0.00 0.00 0.16 0.28 -1.23 -4.05 120.64 111.81 1ppx n GLU 41 Ca 0.14 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1ppx n GLU 41 Cb 0.83 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.81 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 -0.70 0.00 -1.04 3.44 2.81 -1.18 -2.41 117.12 118.06 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 -0.00 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 -0.10 2.80 3.03 0.00 -1.26 -5.13 105.19 104.53 1ppx n GLY 43 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.16 -0.13 -3.87 1.61 4.71 -1.01 -5.09 120.64 116.70 1ppx n GLU 44 Ca -0.08 -1.86 -0.26 0.00 -0.01 0.00 0.00 57.16 54.94 1ppx n GLU 44 Cb 0.47 -0.59 -0.03 0.00 -1.01 0.00 0.00 31.44 30.28 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 -2.37 5.29 0.61 2.62 2.01 -1.26 -4.76 115.64 117.78 1ppx s THR 45 Ca 0.49 -0.59 0.26 0.00 0.31 0.00 0.00 61.69 62.16 1ppx s THR 45 Cb -0.02 -3.74 0.37 0.00 0.01 0.00 0.00 72.50 69.11 1ppx s THR 45 CO 0.33 -0.12 1.47 1.55 -0.69 0.00 0.00 174.62 177.16 1ppx h PRO 46 N 2.08 0.00 0.00 4.92 0.13 -1.99 1.32 132.00 138.46 1ppx h PRO 46 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 1ppx h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1ppx h PRO 46 CO 0.68 0.00 -2.32 0.39 -0.23 0.00 0.00 178.00 176.53 1ppx n GLU 47 N -3.32 0.56 0.01 0.86 1.02 -1.26 -4.47 120.64 114.04 1ppx n GLU 47 Ca 0.17 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 1ppx n GLU 47 Cb 1.23 -1.44 0.60 0.00 -0.02 0.00 0.00 31.44 31.80 1ppx n GLU 47 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ppx n GLN 48 N -3.37 0.02 0.15 3.49 6.02 -0.15 -3.39 117.38 120.14 1ppx n GLN 48 Ca -0.42 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.44 1ppx n GLN 48 Cb 0.91 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 30.57 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 2.97 -0.30 0.05 -1.58 0.00 0.14 -0.43 119.26 120.10 1ppx h ALA 49 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1ppx h ALA 49 Cb 0.52 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ppx h ALA 49 CO 0.00 -0.65 -0.44 -0.39 0.00 0.00 0.00 179.25 177.77 1ppx h VAL 50 N -0.33 1.57 -0.95 0.00 -1.51 -1.80 -2.51 116.25 110.72 1ppx h VAL 50 Ca -0.03 -2.25 0.17 0.00 -1.23 0.00 0.00 66.70 63.36 1ppx h VAL 50 Cb 0.25 3.02 -0.08 0.00 -2.13 0.00 0.00 31.29 32.35 1ppx h VAL 50 CO 0.05 0.62 0.60 0.58 -1.23 0.00 0.00 177.57 178.19 1ppx h VAL 51 N -0.51 0.76 0.02 7.19 2.07 -1.60 1.06 116.25 125.24 1ppx h VAL 51 Ca -0.07 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ppx h VAL 51 Cb 1.26 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ppx h VAL 51 CO 0.08 0.12 -0.01 -0.09 0.02 0.00 0.00 177.57 177.70 1ppx h ARG 52 N 0.67 -0.02 0.00 1.57 2.43 -1.15 -3.32 114.38 114.56 1ppx h ARG 52 Ca 0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.64 1ppx h ARG 52 Cb 0.88 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1ppx h ARG 52 CO -0.26 0.71 -0.16 0.93 -1.51 0.00 0.00 179.97 179.68 1ppx h GLU 53 N -0.95 0.00 -0.68 0.20 4.39 -1.07 -2.85 114.58 113.63 1ppx h GLU 53 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1ppx h GLU 53 Cb 0.74 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.32 1ppx h GLU 53 CO 0.00 0.16 0.31 -0.07 -1.16 0.00 0.00 179.01 178.25 1ppx h LEU 54 N 0.00 0.37 -1.92 1.33 4.07 0.11 0.45 115.31 119.71 1ppx h LEU 54 Ca -0.00 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.04 1ppx h LEU 54 Cb 0.39 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1ppx h LEU 54 CO 0.02 0.20 0.06 1.56 -1.08 0.00 0.00 178.44 179.21 1ppx h GLN 55 N 0.52 0.10 0.01 1.13 1.08 -1.63 1.25 115.11 117.57 1ppx h GLN 55 Ca 0.34 -0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 57.34 1ppx h GLN 55 Cb 0.40 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1ppx h GLN 55 CO -0.29 0.07 -0.92 1.49 -0.95 0.00 0.00 178.83 178.23 1ppx h GLU 56 N 0.11 0.07 -0.30 1.46 4.81 -0.36 -1.35 114.58 119.02 1ppx h GLU 56 Ca 0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ppx h GLU 56 Cb 0.02 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ppx h GLU 56 CO -0.01 0.93 0.00 0.39 -0.73 0.00 0.00 179.01 179.60 1ppx n GLU 57 N -3.53 2.25 0.00 1.92 4.71 0.47 0.04 120.64 126.51 1ppx n GLU 57 Ca -0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 57.16 55.22 1ppx n GLU 57 Cb 0.85 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.98 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ppx n VAL 58 N 0.74 0.00 -1.20 2.62 0.31 0.42 -4.02 118.33 117.19 1ppx n VAL 58 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1ppx n VAL 58 Cb 0.43 -0.48 -0.04 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.09 0.94 0.20 2.92 0.00 -0.51 -1.91 105.19 108.92 1ppx n GLY 59 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ppx n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppx n ILE 60 N -1.68 0.00 -3.79 -0.61 -5.35 -1.26 -4.80 119.36 101.86 1ppx n ILE 60 Ca -0.10 -0.14 -0.33 0.00 -0.27 0.00 0.00 62.75 61.91 1ppx n ILE 60 Cb 0.38 0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.22 1ppx n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ppx s THR 61 N -1.48 3.40 0.05 7.28 -1.32 -1.26 -4.98 115.64 117.34 1ppx s THR 61 Ca 0.01 -3.41 0.08 0.00 -1.21 0.00 0.00 61.69 57.15 1ppx s THR 61 Cb 0.00 -3.23 -0.03 0.00 -1.51 0.00 0.00 72.50 67.73 1ppx s THR 61 CO 0.01 -0.91 -0.21 -2.16 -2.21 0.00 0.00 174.62 169.14 1ppx s PRO 62 N -0.56 1.96 -1.23 7.08 0.04 -1.26 0.20 135.00 141.23 1ppx s PRO 62 Ca 0.20 -1.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.00 1ppx s PRO 62 Cb -0.17 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1ppx s PRO 62 CO -0.06 0.53 1.85 1.04 0.04 0.00 0.00 177.00 180.40 1ppx n GLN 63 N 1.57 2.39 -4.45 4.56 6.02 0.41 -4.84 117.38 123.03 1ppx n GLN 63 Ca -0.16 -2.83 -0.32 0.00 -0.01 0.00 0.00 57.00 53.67 1ppx n GLN 63 Cb 0.52 -3.58 -0.16 0.00 1.02 0.00 0.00 30.24 28.04 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 7.33 2.60 0.00 1.08 2.46 -1.26 -0.22 115.29 127.28 1ppx s HIS 64 Ca 0.60 -1.39 0.00 0.00 0.47 0.00 0.00 55.06 54.75 1ppx s HIS 64 Cb 0.03 -1.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 1ppx s HIS 64 CO 0.10 -0.66 0.00 0.34 -2.47 0.00 0.00 174.74 172.05 1ppx n PHE 65 N 4.28 0.00 -1.15 3.88 7.35 -1.22 -4.93 117.46 125.68 1ppx n PHE 65 Ca -0.20 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.62 1ppx n PHE 65 Cb 0.51 0.00 -0.05 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 -5.84 -3.86 -2.13 7.64 -1.24 -1.63 113.62 106.56 1ppx n SER 66 Ca 0.00 0.72 -0.29 0.00 1.01 0.00 0.00 58.87 60.30 1ppx n SER 66 Cb 0.00 -3.68 -0.16 0.00 -1.01 0.00 0.00 64.21 59.36 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 -5.88 2.11 -0.05 -3.43 0.20 -1.26 -1.70 118.68 108.67 1ppx s LEU 67 Ca 0.00 -1.08 -0.24 0.00 0.69 0.00 0.00 54.13 53.50 1ppx s LEU 67 Cb 0.00 -0.97 -0.25 0.00 -0.43 0.00 0.00 46.19 44.54 1ppx s LEU 67 CO 0.00 -0.27 1.01 0.15 -0.29 0.00 0.00 176.35 176.95 1ppx h PHE 68 N 8.05 0.33 -1.65 5.38 3.04 -1.58 -3.43 116.94 127.08 1ppx h PHE 68 Ca -0.17 -0.19 0.16 0.00 3.98 0.00 0.00 57.97 61.75 1ppx h PHE 68 Cb 1.09 -0.03 -0.20 0.00 2.56 0.00 0.00 35.95 39.36 1ppx h PHE 68 CO 0.42 1.02 0.67 -2.00 -2.02 0.00 0.00 178.31 176.40 1ppx s GLU 69 N -2.99 0.49 -0.07 1.11 2.12 -0.56 -5.00 118.70 113.80 1ppx s GLU 69 Ca -0.15 -0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 1ppx s GLU 69 Cb 0.01 0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ppx s GLU 69 CO 0.76 -0.19 0.15 -1.59 -0.54 0.00 0.00 175.26 173.85 1ppx s LYS 70 N -2.00 0.12 0.13 4.30 -2.85 -1.26 0.95 119.74 119.13 1ppx s LYS 70 Ca 0.05 0.35 0.04 0.00 -1.00 0.00 0.00 55.97 55.41 1ppx s LYS 70 Cb -0.01 -0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1ppx s LYS 70 CO -0.04 -0.14 -0.10 -0.48 0.10 0.00 0.00 175.35 174.69 1ppx s LEU 71 N 0.95 2.50 -0.02 2.77 -0.00 0.27 -4.96 118.68 120.19 1ppx s LEU 71 Ca -0.07 -0.96 -0.00 0.00 -0.00 0.00 0.00 54.13 53.09 1ppx s LEU 71 Cb -0.09 -0.32 0.03 0.00 -0.00 0.00 0.00 46.19 45.81 1ppx s LEU 71 CO -0.05 -0.32 0.04 -0.70 -0.00 0.00 0.00 176.35 175.32 1ppx s GLU 72 N -3.51 -0.05 0.01 1.48 2.12 -1.26 -1.26 118.70 116.23 1ppx s GLU 72 Ca 0.14 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.68 1ppx s GLU 72 Cb 0.01 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 1ppx s GLU 72 CO 0.00 -0.20 0.01 1.52 -0.54 0.00 0.00 175.26 176.06 1ppx s TYR 73 N 1.27 0.15 -0.08 5.30 1.13 -0.83 -5.02 117.35 119.28 1ppx s TYR 73 Ca -0.07 -0.32 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 1ppx s TYR 73 Cb -0.13 -0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.61 1ppx s TYR 73 CO -0.03 -0.17 -0.23 -1.83 -2.51 0.00 0.00 175.55 170.78 1ppx s GLU 74 N -1.10 2.68 0.65 -3.49 -1.05 -1.26 -1.24 118.70 113.89 1ppx s GLU 74 Ca -0.12 -0.84 -0.10 0.00 -0.15 0.00 0.00 54.97 53.77 1ppx s GLU 74 Cb -0.07 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 1ppx s GLU 74 CO -0.00 0.24 1.02 -0.06 0.95 0.00 0.00 175.26 177.41 1ppx s PHE 75 N 0.16 3.36 -0.61 4.83 0.08 0.37 -4.85 117.98 121.32 1ppx s PHE 75 Ca -0.12 0.95 -0.14 0.00 0.12 0.00 0.00 56.93 57.74 1ppx s PHE 75 Cb -0.16 -2.89 -0.14 0.00 -0.57 0.00 0.00 43.02 39.25 1ppx s PHE 75 CO 0.06 -0.97 1.71 -0.35 -0.10 0.00 0.00 175.22 175.57 1ppx n PRO 76 N -2.82 0.09 -0.28 0.24 -0.04 -1.26 0.13 135.00 131.07 1ppx n PRO 76 Ca 0.06 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1ppx n PRO 76 Cb 0.57 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ppx n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ppx n ASP 77 N 12.01 -0.84 -4.03 3.54 2.03 -1.26 -5.08 116.55 122.91 1ppx n ASP 77 Ca 0.28 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.48 1ppx n ASP 77 Cb 0.44 -0.14 -0.11 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.62 0.45 -0.20 -0.67 3.52 0.35 -4.16 118.95 117.62 1ppx s ARG 78 Ca 0.00 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1ppx s ARG 78 Cb 0.00 -0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.28 1ppx s ARG 78 CO 0.00 0.01 -0.15 -1.01 -0.81 0.00 0.00 175.30 173.34 1ppx s HIS 79 N -1.45 2.74 -0.15 5.12 3.76 -1.03 0.14 115.29 124.41 1ppx s HIS 79 Ca -0.12 -1.75 0.01 0.00 -0.15 0.00 0.00 55.06 53.05 1ppx s HIS 79 Cb -0.10 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.80 1ppx s HIS 79 CO -0.00 -0.79 -0.17 -1.50 -0.85 0.00 0.00 174.74 171.42 1ppx s ILE 80 N 1.29 1.81 -0.12 0.60 2.07 -0.38 0.10 121.20 126.57 1ppx s ILE 80 Ca 0.00 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 58.42 1ppx s ILE 80 Cb -0.15 -1.65 -0.03 0.00 0.13 0.00 0.00 42.46 40.75 1ppx s ILE 80 CO -0.10 0.50 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.52 1ppx s THR 81 N 1.28 4.08 -0.19 4.00 2.01 -0.91 -1.96 115.64 123.95 1ppx s THR 81 Ca 0.02 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1ppx s THR 81 Cb -0.13 -2.75 0.04 0.00 0.01 0.00 0.00 72.50 69.67 1ppx s THR 81 CO -0.09 0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.53 1ppx s LEU 82 N -0.21 2.14 -0.21 4.42 1.43 -0.39 0.11 118.68 125.97 1ppx s LEU 82 Ca 0.04 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1ppx s LEU 82 Cb -0.13 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1ppx s LEU 82 CO 0.02 -0.17 -0.00 0.26 0.23 0.00 0.00 176.35 176.70 1ppx s TRP 83 N 1.46 3.02 -0.25 0.29 0.52 0.02 -0.56 118.94 123.43 1ppx s TRP 83 Ca -0.01 -0.60 -0.08 0.00 0.02 0.00 0.00 56.10 55.43 1ppx s TRP 83 Cb -0.16 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 1ppx s TRP 83 CO -0.08 -0.35 0.10 -0.06 0.02 0.00 0.00 176.95 176.58 1ppx s PHE 84 N 1.25 3.14 0.07 -1.98 0.40 0.27 0.17 117.98 121.29 1ppx s PHE 84 Ca 0.03 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1ppx s PHE 84 Cb -0.15 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1ppx s PHE 84 CO 0.01 -0.25 0.01 -1.58 0.70 0.00 0.00 175.22 174.11 1ppx s TRP 85 N 1.51 3.03 -0.55 0.36 0.52 0.30 -1.50 118.94 122.61 1ppx s TRP 85 Ca 0.06 0.01 -0.20 0.00 0.02 0.00 0.00 56.10 55.99 1ppx s TRP 85 Cb -0.15 -1.58 0.07 0.00 -1.15 0.00 0.00 33.47 30.67 1ppx s TRP 85 CO 0.05 0.48 0.70 -1.17 0.02 0.00 0.00 176.95 177.04 1ppx s LEU 86 N -2.16 5.01 0.19 2.99 2.96 -0.64 -1.59 118.68 125.43 1ppx s LEU 86 Ca 0.25 -1.06 -0.15 0.00 -0.22 0.00 0.00 54.13 52.94 1ppx s LEU 86 Cb -0.12 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 1ppx s LEU 86 CO 0.17 -1.04 0.61 -0.69 -1.32 0.00 0.00 176.35 174.08 1ppx s VAL 87 N 2.86 4.77 -0.20 1.68 1.01 -0.96 -3.41 120.40 126.16 1ppx s VAL 87 Ca 0.15 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1ppx s VAL 87 Cb -0.20 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1ppx s VAL 87 CO 0.10 0.18 -0.32 1.21 0.00 0.00 0.00 175.10 176.27 1ppx n GLU 88 N 0.62 0.50 -3.66 2.72 2.13 0.69 -3.25 120.64 120.38 1ppx n GLU 88 Ca -0.03 0.21 -0.07 0.00 0.66 0.00 0.00 57.16 57.92 1ppx n GLU 88 Cb 0.52 -1.35 -0.02 0.00 0.27 0.00 0.00 31.44 30.86 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 -2.65 1.31 -0.01 5.31 1.70 -0.66 -3.94 118.95 120.02 1ppx s ARG 89 Ca -0.30 -0.64 0.05 0.00 -0.47 0.00 0.00 55.73 54.36 1ppx s ARG 89 Cb 0.08 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.95 1ppx s ARG 89 CO 0.41 -0.59 -0.15 1.67 -1.08 0.00 0.00 175.30 175.56 1ppx s TRP 90 N -3.54 1.34 -1.03 5.89 -2.14 -1.26 0.16 118.94 118.36 1ppx s TRP 90 Ca 0.08 -0.25 -0.15 0.00 2.66 0.00 0.00 56.10 58.44 1ppx s TRP 90 Cb -0.03 -0.86 0.18 0.00 -3.10 0.00 0.00 33.47 29.67 1ppx s TRP 90 CO -0.02 -0.02 1.15 -2.00 -2.66 0.00 0.00 176.95 173.40 1ppx s GLU 91 N -0.36 3.85 0.00 3.25 -6.30 0.13 -4.81 118.70 114.45 1ppx s GLU 91 Ca 0.06 -2.37 0.00 0.00 -2.50 0.00 0.00 54.97 50.16 1ppx s GLU 91 Cb -0.06 -4.82 0.00 0.00 0.00 0.00 0.00 34.13 29.25 1ppx s GLU 91 CO -0.01 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.08 1ppx n GLY 92 N 4.36 0.50 2.89 -1.50 0.00 -1.26 -4.26 105.19 105.92 1ppx n GLY 92 Ca 0.26 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 1ppx n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppx s GLU 93 N 0.00 0.69 0.01 1.61 2.12 -1.26 -5.13 118.70 116.74 1ppx s GLU 93 Ca 0.00 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 1ppx s GLU 93 Cb 0.00 -0.72 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 1ppx s GLU 93 CO 0.00 -0.06 1.10 -2.14 -0.54 0.00 0.00 175.26 173.62 1ppx s PRO 94 N 0.78 4.47 0.27 4.30 0.02 -1.26 -4.69 135.00 138.89 1ppx s PRO 94 Ca -0.10 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1ppx s PRO 94 Cb -0.13 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1ppx s PRO 94 CO -0.00 -0.21 0.00 -2.67 -0.33 0.00 0.00 177.00 173.79 1ppx n TRP 95 N 4.20 -2.50 0.00 6.54 4.27 -0.88 -4.98 117.44 124.09 1ppx n TRP 95 Ca 0.08 0.51 0.00 0.00 -3.89 0.00 0.00 57.50 54.21 1ppx n TRP 95 Cb 0.48 0.92 0.00 0.00 -1.36 0.00 0.00 31.31 31.36 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 1.17 0.54 0.00 -1.67 0.00 -0.80 -3.66 105.19 100.77 1ppx n GLY 96 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ppx n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ppx n LYS 97 N 0.00 0.00 -0.08 1.61 4.81 0.11 -4.66 118.16 119.95 1ppx n LYS 97 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1ppx n LYS 97 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 0.29 0.00 1.64 -0.00 -1.78 -3.46 114.58 111.27 1ppx h GLU 98 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ppx h GLU 98 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.68 1ppx h GLU 98 CO 0.00 0.19 0.00 0.41 -0.00 0.00 0.00 179.01 179.61 1ppx n GLY 99 N -1.19 2.79 3.15 1.06 0.00 -1.26 -4.99 105.19 104.76 1ppx n GLY 99 Ca -0.01 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.58 -0.14 1.61 0.00 -1.26 -4.97 119.66 117.49 1ppx s GLN 100 Ca 0.00 -2.26 -0.41 0.00 -0.00 0.00 0.00 55.36 52.70 1ppx s GLN 100 Cb 0.00 -3.83 -0.18 0.00 0.00 0.00 0.00 33.01 29.00 1ppx s GLN 100 CO 0.00 -1.18 1.39 -2.30 0.00 0.00 0.00 175.29 173.20 1ppx n PRO 101 N 4.01 0.54 -4.29 9.60 -0.02 -1.25 -4.63 135.00 138.95 1ppx n PRO 101 Ca 0.04 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 1ppx n PRO 101 Cb 0.40 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.47 2.65 0.23 -1.23 0.00 -1.26 -4.68 107.32 104.51 1ppx s GLY 102 Ca 0.94 -0.98 0.11 0.00 0.00 0.00 0.00 44.72 44.79 1ppx s GLY 102 CO 0.61 -2.05 -0.21 1.85 0.00 0.00 0.00 173.10 173.30 1ppx s GLU 103 N -4.06 1.57 -0.32 2.90 2.12 -1.26 -4.96 118.70 114.70 1ppx s GLU 103 Ca 0.23 -1.64 -0.27 0.00 0.36 0.00 0.00 54.97 53.64 1ppx s GLU 103 Cb 0.00 -1.75 -0.05 0.00 0.26 0.00 0.00 34.13 32.59 1ppx s GLU 103 CO 0.13 0.35 2.23 -1.58 -0.54 0.00 0.00 175.26 175.86 1ppx s TRP 104 N -2.14 1.20 0.32 5.30 0.51 -1.26 -4.13 118.94 118.74 1ppx s TRP 104 Ca 0.25 0.85 0.10 0.00 -2.12 0.00 0.00 56.10 55.18 1ppx s TRP 104 Cb -0.06 -3.85 -0.06 0.00 -0.81 0.00 0.00 33.47 28.69 1ppx s TRP 104 CO 0.12 -3.50 -0.13 0.00 -0.51 0.00 0.00 176.95 172.93 1ppx s MET 105 N 6.87 1.76 0.00 4.98 0.23 -0.47 -4.93 119.30 127.74 1ppx s MET 105 Ca 0.97 -1.87 -0.26 0.00 -1.03 0.00 0.00 55.69 53.50 1ppx s MET 105 Cb -0.27 -1.71 -0.04 0.00 -1.53 0.00 0.00 34.83 31.28 1ppx s MET 105 CO 0.32 0.20 0.81 -1.54 -2.03 0.00 0.00 175.02 172.78 1ppx s SER 106 N -3.57 7.19 0.44 -1.18 1.04 -1.26 0.20 113.70 116.56 1ppx s SER 106 Ca 0.31 1.43 0.27 0.00 0.48 0.00 0.00 55.95 58.45 1ppx s SER 106 Cb -0.00 -2.48 0.78 0.00 0.10 0.00 0.00 66.02 64.41 1ppx s SER 106 CO 0.16 -0.10 1.76 0.25 0.98 0.00 0.00 173.24 176.29 1ppx h LEU 107 N 6.30 0.00 -1.02 2.42 7.12 -1.83 -3.16 115.31 125.14 1ppx h LEU 107 Ca -0.42 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1ppx h LEU 107 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1ppx h LEU 107 CO 0.73 0.00 0.00 0.55 -0.13 0.00 0.00 178.44 179.59 1ppx n VAL 108 N -2.94 1.23 -1.97 1.05 3.14 -1.26 -2.15 118.33 115.42 1ppx n VAL 108 Ca 0.03 0.63 -0.21 0.00 -2.96 0.00 0.00 64.34 61.83 1ppx n VAL 108 Cb 0.42 -1.61 0.04 0.00 -1.06 0.00 0.00 33.84 31.63 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 -1.19 6.27 3.76 7.55 0.00 -1.19 -4.95 105.19 115.44 1ppx n GLY 109 Ca -0.01 -2.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.57 4.45 -0.05 0.99 2.96 -0.92 -5.04 118.68 117.51 1ppx s LEU 110 Ca 0.50 2.47 0.05 0.00 -0.22 0.00 0.00 54.13 56.92 1ppx s LEU 110 Cb 0.41 -3.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1ppx s LEU 110 CO 0.03 -0.38 -0.21 0.20 -1.32 0.00 0.00 176.35 174.67 1ppx s ASN 111 N -0.74 2.59 0.29 3.68 0.01 -1.26 -4.85 114.94 114.66 1ppx s ASN 111 Ca 0.48 -0.43 0.25 0.00 -0.71 0.00 0.00 52.86 52.45 1ppx s ASN 111 Cb -0.35 -0.76 0.97 0.00 0.41 0.00 0.00 41.25 41.52 1ppx s ASN 111 CO 0.46 0.19 1.75 0.00 -1.51 0.00 0.00 177.10 177.99 1ppx h ALA 112 N 6.22 1.00 0.02 0.60 0.00 -1.95 -2.88 119.26 122.26 1ppx h ALA 112 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ppx h ALA 112 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ppx h ALA 112 CO 0.47 0.00 -0.12 0.38 0.00 0.00 0.00 179.25 179.98 1ppx h ASP 113 N 0.00 0.08 -0.41 0.00 2.03 -1.95 -3.36 116.42 112.81 1ppx h ASP 113 Ca 0.00 -0.93 -0.12 0.00 -0.73 0.00 0.00 57.03 55.25 1ppx h ASP 113 Cb 0.47 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 1ppx h ASP 113 CO 0.00 1.00 -0.19 -2.24 -1.03 0.00 0.00 179.24 176.78 1ppx h ASP 114 N -0.84 0.92 -4.22 4.15 2.03 -1.84 -3.45 116.42 113.17 1ppx h ASP 114 Ca -0.02 -0.33 -0.45 0.00 -0.73 0.00 0.00 57.03 55.50 1ppx h ASP 114 Cb 1.04 -0.25 0.14 0.00 -0.83 0.00 0.00 39.33 39.43 1ppx h ASP 114 CO 0.02 1.08 0.38 0.72 -1.03 0.00 0.00 179.24 180.42 1ppx s PHE 115 N -4.69 2.11 0.02 4.15 -0.71 -1.09 -0.24 117.98 117.52 1ppx s PHE 115 Ca -0.10 0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 56.04 1ppx s PHE 115 Cb 0.13 -3.75 -0.05 0.00 -1.21 0.00 0.00 43.02 38.14 1ppx s PHE 115 CO 0.85 -2.41 1.22 -1.25 -1.34 0.00 0.00 175.22 172.30 1ppx s PRO 116 N -5.66 4.39 0.32 1.99 0.04 -1.22 -4.51 135.00 130.35 1ppx s PRO 116 Ca 0.68 1.76 0.22 0.00 0.04 0.00 0.00 61.00 63.70 1ppx s PRO 116 Cb -0.08 -3.44 1.18 0.00 0.04 0.00 0.00 34.50 32.20 1ppx s PRO 116 CO 0.52 -0.36 1.67 -0.35 0.04 0.00 0.00 177.00 178.52 1ppx n PRO 117 N 4.52 0.14 0.00 0.56 -0.04 -1.26 -2.14 135.00 136.78 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 -1.96 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 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 1.41 -2.37 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 53.31 1ppx n ALA 118 Cb 0.03 -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 -1.49 2.90 -0.05 0.00 4.13 -0.91 -4.86 115.26 114.98 1ppx n ASN 119 Ca 0.02 -2.89 -0.14 0.00 1.68 0.00 0.00 54.58 53.25 1ppx n ASN 119 Cb 0.10 -0.41 -0.07 0.00 -1.54 0.00 0.00 39.78 37.86 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1ppx h GLU 120 N 2.15 0.44 -0.88 3.52 4.81 -1.70 -1.70 114.58 121.22 1ppx h GLU 120 Ca 0.07 -0.27 0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1ppx h GLU 120 Cb 1.41 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.76 1ppx h GLU 120 CO 0.39 0.87 0.57 -1.35 -0.73 0.00 0.00 179.01 178.76 1ppx h PRO 121 N 0.05 0.73 0.02 0.92 0.11 -1.89 1.55 132.00 133.49 1ppx h PRO 121 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ppx h PRO 121 Cb 0.85 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1ppx h PRO 121 CO 0.06 0.48 -0.01 0.28 -0.21 0.00 0.00 178.00 178.60 1ppx h VAL 122 N 0.75 1.45 0.00 3.15 2.07 -1.94 -3.32 116.25 118.41 1ppx h VAL 122 Ca 0.43 -1.88 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 1ppx h VAL 122 Cb 0.59 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ppx h VAL 122 CO -0.19 0.46 -0.42 0.40 0.02 0.00 0.00 177.57 177.83 1ppx h ILE 123 N -0.90 1.29 -0.44 4.57 1.08 -1.03 -2.71 117.51 119.37 1ppx h ILE 123 Ca -0.00 -1.46 0.13 0.00 -0.39 0.00 0.00 64.86 63.14 1ppx h ILE 123 Cb 0.77 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1ppx h ILE 123 CO 0.00 0.41 0.35 0.00 -0.69 0.00 0.00 178.15 178.23 1ppx h ALA 124 N 1.58 2.32 -0.01 1.87 0.00 0.21 1.52 119.26 126.75 1ppx h ALA 124 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ppx h ALA 124 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ppx h ALA 124 CO 0.05 -0.58 -0.08 -0.22 0.00 0.00 0.00 179.25 178.43 1ppx h LYS 125 N 0.00 0.06 0.00 0.00 3.64 -1.59 -3.20 116.57 115.49 1ppx h LYS 125 Ca 0.21 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 1ppx h LYS 125 Cb 0.91 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1ppx h LYS 125 CO -0.00 0.78 -0.68 1.25 -2.27 0.00 0.00 179.45 178.53 1ppx h LEU 126 N -0.64 0.00 -0.76 5.20 5.85 -1.37 -3.28 115.31 120.31 1ppx h LEU 126 Ca -0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ppx h LEU 126 Cb 0.80 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1ppx h LEU 126 CO 0.02 0.68 0.49 0.50 -0.34 0.00 0.00 178.44 179.78 1ppx h LYS 127 N 0.00 0.93 0.00 1.25 3.64 0.20 0.25 116.57 122.84 1ppx h LYS 127 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ppx h LYS 127 Cb 1.43 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ppx h LYS 127 CO 0.09 0.61 0.00 -2.13 -2.27 0.00 0.00 179.45 175.75 1ppx n ARG 128 N -4.61 0.51 -0.29 1.90 0.63 -1.21 -4.83 116.66 108.76 1ppx n ARG 128 Ca 0.08 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1ppx n ARG 128 Cb 0.08 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.49 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40