#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 -0.11 2.12 2.20 -1.17 -5.01 119.74 120.11 1ppx s LYS 2 Ca 0.00 -1.61 -0.14 0.00 -0.36 0.00 0.00 55.97 53.85 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 0.35 -1.59 -0.36 0.00 0.00 175.35 172.75 1ppx s LYS 3 N 1.29 4.13 -0.08 4.03 0.00 -1.26 -2.44 119.74 125.40 1ppx s LYS 3 Ca 0.04 0.23 -0.07 0.00 0.00 0.00 0.00 55.97 56.17 1ppx s LYS 3 Cb -0.23 -3.36 0.02 0.00 0.00 0.00 0.00 37.83 34.26 1ppx s LYS 3 CO -0.01 0.38 0.22 -0.48 0.00 0.00 0.00 175.35 175.45 1ppx s LEU 4 N 0.00 1.14 0.14 2.77 0.05 -0.08 -4.92 118.68 117.78 1ppx s LEU 4 Ca 0.20 0.44 0.03 0.00 0.05 0.00 0.00 54.13 54.85 1ppx s LEU 4 Cb -0.14 0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 44.70 1ppx s LEU 4 CO 0.08 -0.08 0.20 -1.10 -0.55 0.00 0.00 176.35 174.89 1ppx s GLN 5 N 0.17 3.17 -0.14 1.48 -0.21 -1.26 -2.62 119.66 120.25 1ppx s GLN 5 Ca -0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.62 1ppx s GLN 5 Cb -0.02 -2.82 0.07 0.00 1.00 0.00 0.00 33.01 31.24 1ppx s GLN 5 CO -0.00 0.52 0.25 0.42 -2.12 0.00 0.00 175.29 174.36 1ppx s ILE 6 N -1.69 -0.40 0.10 1.08 -1.09 0.34 -3.72 121.20 115.82 1ppx s ILE 6 Ca 0.33 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 59.07 1ppx s ILE 6 Cb -0.11 -0.46 -0.04 0.00 -1.58 0.00 0.00 42.46 40.27 1ppx s ILE 6 CO 0.26 0.08 -0.21 0.00 -1.23 0.00 0.00 174.94 173.85 1ppx s ALA 7 N 2.40 1.80 0.12 9.38 0.00 -1.26 -0.18 121.76 134.02 1ppx s ALA 7 Ca 0.02 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1ppx s ALA 7 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ppx s ALA 7 CO -0.09 0.35 0.18 0.14 0.00 0.00 0.00 175.76 176.34 1ppx s VAL 8 N -1.21 0.12 -0.13 0.00 -7.23 0.28 -0.49 120.40 111.74 1ppx s VAL 8 Ca 0.07 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1ppx s VAL 8 Cb -0.10 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1ppx s VAL 8 CO 0.04 -0.53 0.04 -0.83 -0.31 0.00 0.00 175.10 173.52 1ppx s GLY 9 N -2.94 0.48 -0.67 2.32 0.00 0.18 0.14 107.32 106.83 1ppx s GLY 9 Ca 0.13 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.29 1ppx s GLY 9 CO -0.05 1.39 1.81 -0.42 0.00 0.00 0.00 173.10 175.84 1ppx s ILE 10 N 2.00 3.41 -0.06 0.90 1.01 -0.97 -4.28 121.20 123.21 1ppx s ILE 10 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1ppx s ILE 10 Cb -0.14 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1ppx s ILE 10 CO -0.07 -1.02 1.43 -0.63 0.00 0.00 0.00 174.94 174.66 1ppx s ILE 11 N 8.85 3.83 -0.11 2.92 1.01 -1.26 -2.62 121.20 133.81 1ppx s ILE 11 Ca 0.64 1.12 -0.24 0.00 0.00 0.00 0.00 60.65 62.17 1ppx s ILE 11 Cb -0.11 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1ppx s ILE 11 CO 0.17 -0.05 0.73 -0.13 0.00 0.00 0.00 174.94 175.66 1ppx s ARG 12 N 3.12 4.37 0.22 2.79 1.81 -1.23 -2.58 118.95 127.45 1ppx s ARG 12 Ca 0.64 0.89 -0.04 0.00 -1.72 0.00 0.00 55.73 55.50 1ppx s ARG 12 Cb -0.29 -3.50 0.05 0.00 -0.45 0.00 0.00 34.95 30.76 1ppx s ARG 12 CO 0.24 -0.09 0.23 -1.71 -0.68 0.00 0.00 175.30 173.30 1ppx n ASN 13 N 4.35 -0.81 0.12 0.23 2.85 0.51 -2.95 115.26 119.56 1ppx n ASN 13 Ca 0.00 -0.78 0.09 0.00 -0.11 0.00 0.00 54.58 53.78 1ppx n ASN 13 Cb 0.50 -0.20 0.45 0.00 1.24 0.00 0.00 39.78 41.77 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ppx n GLU 14 N -1.96 0.11 0.00 1.20 0.00 -1.26 -4.45 120.64 114.27 1ppx n GLU 14 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 57.16 57.78 1ppx n GLU 14 Cb 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 29.71 1ppx n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ppx n ASN 15 N -2.07 0.00 -0.21 4.31 4.05 -1.26 -5.04 115.26 115.04 1ppx n ASN 15 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1ppx n ASN 15 Cb 0.04 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.05 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1ppx n ASN 16 N -0.71 0.00 -4.95 1.20 6.94 -1.26 -5.11 115.26 111.36 1ppx n ASN 16 Ca 0.00 -1.21 -0.21 0.00 -0.02 0.00 0.00 54.58 53.14 1ppx n ASN 16 Cb 0.00 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.36 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 0.00 3.35 -0.01 -3.83 -1.05 -1.26 -3.92 118.70 111.98 1ppx s GLU 17 Ca 0.00 -0.81 0.02 0.00 -0.15 0.00 0.00 54.97 54.02 1ppx s GLU 17 Cb 0.00 -2.84 -0.00 0.00 -0.44 0.00 0.00 34.13 30.84 1ppx s GLU 17 CO 0.00 0.40 -0.05 0.42 0.95 0.00 0.00 175.26 176.98 1ppx s ILE 18 N -2.01 0.41 -0.87 1.83 1.01 0.32 0.19 121.20 122.08 1ppx s ILE 18 Ca 0.35 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 1ppx s ILE 18 Cb -0.09 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 42.04 1ppx s ILE 18 CO 0.29 0.13 1.54 0.12 0.00 0.00 0.00 174.94 177.02 1ppx s PHE 19 N 0.02 2.22 -0.07 3.97 5.36 -1.07 -2.78 117.98 125.65 1ppx s PHE 19 Ca 0.00 -0.15 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 1ppx s PHE 19 Cb -0.04 -4.49 -0.03 0.00 -0.34 0.00 0.00 43.02 38.13 1ppx s PHE 19 CO -0.00 -1.99 -0.10 0.96 -1.46 0.00 0.00 175.22 172.62 1ppx s ILE 20 N 6.63 3.39 -0.03 3.12 -4.36 -1.25 -4.55 121.20 124.15 1ppx s ILE 20 Ca 0.50 -0.59 -0.30 0.00 -0.26 0.00 0.00 60.65 60.00 1ppx s ILE 20 Cb -0.05 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 1ppx s ILE 20 CO 0.03 0.59 1.41 0.42 0.24 0.00 0.00 174.94 177.63 1ppx s THR 21 N -0.68 3.79 -0.05 8.37 -4.23 0.66 -3.98 115.64 119.52 1ppx s THR 21 Ca 0.10 1.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 1ppx s THR 21 Cb -0.11 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1ppx s THR 21 CO 0.01 -0.03 -0.17 -0.60 -0.54 0.00 0.00 174.62 173.30 1ppx s ARG 22 N 2.76 1.86 0.11 3.99 3.52 -1.24 -0.68 118.95 129.26 1ppx s ARG 22 Ca 0.64 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1ppx s ARG 22 Cb -0.30 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.51 1ppx s ARG 22 CO 0.25 0.20 0.00 2.89 -0.81 0.00 0.00 175.30 177.83 1ppx n ARG 23 N 3.30 0.00 0.00 5.12 1.85 -1.26 -4.58 116.66 121.09 1ppx n ARG 23 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 1ppx n ARG 23 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ppx n ALA 24 N 7.50 0.00 -2.26 2.89 0.00 -1.26 -4.94 120.51 122.44 1ppx n ALA 24 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.00 -2.26 0.00 0.00 -1.26 -4.90 120.51 112.09 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 -0.51 0.01 0.00 0.00 0.00 0.00 19.45 18.95 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 1.73 -0.19 -0.72 0.00 5.68 -1.26 -5.16 116.55 116.63 1ppx n ASP 26 Ca -0.00 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1ppx n ASP 26 Cb 0.50 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ppx n ALA 27 N -0.16 0.00 -0.00 2.12 0.00 -1.26 -5.06 120.51 116.15 1ppx n ALA 27 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1ppx n ALA 27 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1ppx n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ppx n HIS 28 N 0.00 0.00 -1.71 0.00 8.25 -1.26 -4.87 115.22 115.63 1ppx n HIS 28 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1ppx n HIS 28 Cb 0.00 -0.21 -0.09 0.00 1.12 0.00 0.00 29.99 30.80 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ppx n MET 29 N -1.82 0.74 0.00 -0.41 2.81 -1.26 -4.61 117.12 112.57 1ppx n MET 29 Ca -0.02 -1.99 0.13 0.00 -1.81 0.00 0.00 57.70 54.01 1ppx n MET 29 Cb 0.25 -3.77 0.38 0.00 -0.71 0.00 0.00 33.22 29.37 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx n ALA 30 N 16.94 3.14 -0.86 3.04 0.00 -1.26 -3.84 120.51 137.67 1ppx n ALA 30 Ca 0.43 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1ppx n ALA 30 Cb 0.46 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.82 1ppx n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ppx n ASN 31 N -1.38 4.13 -1.20 0.00 0.23 -1.22 -4.33 115.26 111.50 1ppx n ASN 31 Ca 0.07 -3.34 -0.02 0.00 -0.53 0.00 0.00 54.58 50.77 1ppx n ASN 31 Cb 0.33 -0.81 0.22 0.00 -2.08 0.00 0.00 39.78 37.45 1ppx n ASN 31 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1ppx n LYS 32 N -0.78 2.34 -0.86 -3.83 4.81 0.06 -0.99 118.16 118.91 1ppx n LYS 32 Ca 0.49 -3.05 -0.42 0.00 -0.87 0.00 0.00 58.31 54.47 1ppx n LYS 32 Cb 1.34 -1.88 -0.08 0.00 0.02 0.00 0.00 35.03 34.44 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ppx n LEU 33 N -0.87 2.87 0.00 3.14 7.94 0.34 -4.34 117.00 126.09 1ppx n LEU 33 Ca 0.32 -2.32 0.00 0.00 -1.11 0.00 0.00 56.01 52.89 1ppx n LEU 33 Cb 1.06 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 44.14 1ppx n LEU 33 CO 0.22 -0.94 0.00 1.21 -1.11 0.00 0.00 177.39 176.77 1ppx n GLU 34 N 7.18 1.62 -4.58 1.96 2.13 0.14 -4.28 120.64 124.81 1ppx n GLU 34 Ca 0.47 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.02 1ppx n GLU 34 Cb 0.38 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.99 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 0.49 2.50 0.79 4.31 0.40 -1.26 -0.24 117.98 124.97 1ppx s PHE 35 Ca 0.00 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 55.59 1ppx s PHE 35 Cb 0.00 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1ppx s PHE 35 CO 0.00 0.47 1.17 -1.25 0.70 0.00 0.00 175.22 176.31 1ppx s PRO 36 N -3.69 2.08 0.00 0.24 0.04 -1.26 -4.60 135.00 127.80 1ppx s PRO 36 Ca 0.35 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1ppx s PRO 36 Cb 0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ppx s PRO 36 CO 0.18 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1ppx n GLY 37 N -3.27 0.56 3.66 0.56 0.00 -1.26 0.49 105.19 105.93 1ppx n GLY 37 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.99 1.66 0.00 -0.02 0.00 0.36 -3.70 107.32 104.64 1ppx s GLY 38 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1ppx s GLY 38 CO 0.00 0.87 0.00 1.17 0.00 0.00 0.00 173.10 175.14 1ppx n LYS 39 N -4.24 0.00 0.14 2.90 4.81 -1.26 -4.87 118.16 115.64 1ppx n LYS 39 Ca 0.10 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.73 1ppx n LYS 39 Cb 0.53 -1.86 0.78 0.00 0.02 0.00 0.00 35.03 34.50 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 -1.80 -3.18 117.51 119.20 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 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 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 -3.80 0.00 0.00 0.16 -0.00 -1.24 -4.22 120.64 111.53 1ppx n GLU 41 Ca 0.05 0.47 0.00 0.00 -0.00 0.00 0.00 57.16 57.68 1ppx n GLU 41 Cb 0.47 -0.99 0.00 0.00 -0.00 0.00 0.00 31.44 30.92 1ppx n GLU 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ppx n MET 42 N -0.96 0.00 -0.91 3.44 2.81 -1.20 -2.91 117.12 117.38 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 -0.01 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 -0.25 0.83 3.03 0.00 -1.26 -5.11 105.19 102.43 1ppx n GLY 43 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.10 0.30 -3.93 1.61 4.71 -1.15 -5.09 120.64 117.00 1ppx n GLU 44 Ca -0.06 -0.55 -0.26 0.00 -0.01 0.00 0.00 57.16 56.28 1ppx n GLU 44 Cb 0.42 -0.17 -0.03 0.00 -1.01 0.00 0.00 31.44 30.65 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 -0.72 5.31 0.61 2.62 2.01 -1.26 -4.77 115.64 119.44 1ppx s THR 45 Ca 0.15 -0.69 0.26 0.00 0.31 0.00 0.00 61.69 61.72 1ppx s THR 45 Cb -0.01 -3.75 0.37 0.00 0.01 0.00 0.00 72.50 69.12 1ppx s THR 45 CO 0.10 -0.11 1.48 1.55 -0.69 0.00 0.00 174.62 176.94 1ppx h PRO 46 N 2.06 0.00 0.00 4.92 0.13 -1.99 1.35 132.00 138.47 1ppx h PRO 46 Ca -0.49 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.25 1ppx h PRO 46 Cb 1.20 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 -2.39 0.39 -0.23 0.00 0.00 178.00 176.45 1ppx n GLU 47 N -3.33 0.57 0.00 0.86 1.02 -1.26 -4.45 120.64 114.06 1ppx n GLU 47 Ca 0.17 0.18 0.15 0.00 -0.02 0.00 0.00 57.16 57.64 1ppx n GLU 47 Cb 1.23 -1.45 0.74 0.00 -0.02 0.00 0.00 31.44 31.95 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 -3.60 0.40 0.30 3.49 3.00 -0.25 -3.34 117.38 117.38 1ppx n GLN 48 Ca -0.46 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.36 1ppx n GLN 48 Cb 0.91 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.57 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ppx h ALA 49 N 3.39 -0.75 0.07 -1.58 0.00 0.15 -0.44 119.26 120.11 1ppx h ALA 49 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1ppx h ALA 49 Cb 0.31 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ppx h ALA 49 CO 0.00 -0.86 -0.61 -0.39 0.00 0.00 0.00 179.25 177.39 1ppx h VAL 50 N -0.86 1.52 -0.96 0.00 -1.51 -1.81 -2.48 116.25 110.15 1ppx h VAL 50 Ca -0.08 -2.31 0.09 0.00 -1.23 0.00 0.00 66.70 63.18 1ppx h VAL 50 Cb 0.62 2.98 -0.07 0.00 -2.13 0.00 0.00 31.29 32.69 1ppx h VAL 50 CO 0.13 0.65 0.62 0.58 -1.23 0.00 0.00 177.57 178.31 1ppx h VAL 51 N -0.36 1.00 0.02 7.19 2.07 -1.64 1.29 116.25 125.82 1ppx h VAL 51 Ca -0.10 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ppx h VAL 51 Cb 1.41 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ppx h VAL 51 CO 0.12 0.19 -0.01 -0.09 0.02 0.00 0.00 177.57 177.80 1ppx h ARG 52 N 1.03 -0.02 0.00 1.57 2.43 -1.17 -3.32 114.38 114.90 1ppx h ARG 52 Ca 0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 1ppx h ARG 52 Cb 0.33 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ppx h ARG 52 CO -0.20 0.73 -0.14 0.93 -1.51 0.00 0.00 179.97 179.78 1ppx h GLU 53 N -0.94 0.00 -0.78 0.20 4.39 -1.30 -2.97 114.58 113.18 1ppx h GLU 53 Ca -0.00 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1ppx h GLU 53 Cb 0.76 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.31 1ppx h GLU 53 CO 0.00 0.14 0.30 -0.07 -1.16 0.00 0.00 179.01 178.22 1ppx h LEU 54 N 0.00 0.24 -1.61 1.33 4.07 0.16 1.25 115.31 120.75 1ppx h LEU 54 Ca -0.00 0.12 0.11 0.00 0.08 0.00 0.00 57.88 58.19 1ppx h LEU 54 Cb 0.56 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 1ppx h LEU 54 CO 0.02 0.06 0.43 -0.61 -1.08 0.00 0.00 178.44 177.26 1ppx h GLN 55 N 0.41 0.42 0.00 1.13 -0.00 -1.67 1.22 115.11 116.62 1ppx h GLN 55 Ca 0.44 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.97 1ppx h GLN 55 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1ppx h GLN 55 CO -0.44 0.28 -0.47 1.49 0.00 0.00 0.00 178.83 179.69 1ppx h GLU 56 N 0.43 0.00 -0.23 1.69 4.81 0.13 0.14 114.58 121.54 1ppx h GLU 56 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1ppx h GLU 56 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1ppx h GLU 56 CO -0.09 0.47 0.00 0.39 -0.73 0.00 0.00 179.01 179.05 1ppx n GLU 57 N -3.30 1.90 0.00 1.92 4.71 0.78 0.19 120.64 126.85 1ppx n GLU 57 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 57.16 55.40 1ppx n GLU 57 Cb 0.67 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.77 0.00 -0.60 2.62 0.31 0.39 -4.14 118.33 117.68 1ppx n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ppx n VAL 58 Cb 0.41 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 59 N 1.96 0.04 0.93 2.92 0.00 0.47 0.64 105.19 112.16 1ppx n GLY 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.01 0.00 -3.74 -0.61 -5.35 -1.26 -4.80 119.36 101.60 1ppx n ILE 60 Ca 0.00 -0.61 -0.35 0.00 -0.27 0.00 0.00 62.75 61.52 1ppx n ILE 60 Cb 0.08 0.08 -0.10 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.39 3.67 0.02 7.28 -4.23 -1.26 -4.94 115.64 114.78 1ppx s THR 61 Ca 0.01 -3.25 0.05 0.00 -1.18 0.00 0.00 61.69 57.31 1ppx s THR 61 Cb -0.00 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1ppx s THR 61 CO 0.00 -0.92 -0.10 -2.16 -0.54 0.00 0.00 174.62 170.90 1ppx s PRO 62 N -0.42 2.38 -1.24 3.99 0.04 -1.26 -2.80 135.00 135.69 1ppx s PRO 62 Ca 0.19 -0.82 -0.20 0.00 0.04 0.00 0.00 61.00 60.21 1ppx s PRO 62 Cb -0.18 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1ppx s PRO 62 CO -0.05 0.58 1.84 0.00 0.04 0.00 0.00 177.00 179.41 1ppx n GLN 63 N 1.52 2.38 -5.11 4.56 10.64 0.10 -4.86 117.38 126.61 1ppx n GLN 63 Ca -0.15 -2.86 -0.31 0.00 -1.83 0.00 0.00 57.00 51.84 1ppx n GLN 63 Cb 0.52 -3.62 -0.17 0.00 -0.86 0.00 0.00 30.24 26.12 1ppx n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1ppx s HIS 64 N 7.71 2.44 0.00 2.61 2.46 -1.25 -1.25 115.29 128.00 1ppx s HIS 64 Ca 0.61 -1.01 0.00 0.00 0.47 0.00 0.00 55.06 55.13 1ppx s HIS 64 Cb 0.02 -1.64 0.00 0.00 -0.13 0.00 0.00 32.58 30.83 1ppx s HIS 64 CO 0.11 -0.42 0.00 0.34 -2.47 0.00 0.00 174.74 172.30 1ppx n PHE 65 N 3.59 0.00 -1.46 3.88 -0.00 -1.25 -4.95 117.46 117.27 1ppx n PHE 65 Ca -0.19 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.32 1ppx n PHE 65 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.97 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ppx n SER 66 N 0.00 -7.31 -4.13 -2.13 7.64 -1.23 -2.51 113.62 103.95 1ppx n SER 66 Ca 0.00 1.53 -0.33 0.00 1.01 0.00 0.00 58.87 61.08 1ppx n SER 66 Cb 0.00 -4.71 -0.15 0.00 -1.01 0.00 0.00 64.21 58.34 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 -5.99 3.31 -0.09 -3.43 0.20 -1.26 0.21 118.68 111.63 1ppx s LEU 67 Ca 0.00 -1.16 -0.19 0.00 0.69 0.00 0.00 54.13 53.47 1ppx s LEU 67 Cb 0.00 -1.60 -0.16 0.00 -0.43 0.00 0.00 46.19 44.00 1ppx s LEU 67 CO 0.00 -0.17 0.67 0.15 -0.29 0.00 0.00 176.35 176.72 1ppx h PHE 68 N 7.89 -0.09 -1.42 5.38 3.04 -1.41 -3.42 116.94 126.91 1ppx h PHE 68 Ca -0.26 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.80 1ppx h PHE 68 Cb 1.07 0.03 -0.26 0.00 2.56 0.00 0.00 35.95 39.35 1ppx h PHE 68 CO 0.60 0.43 0.63 -2.00 -2.02 0.00 0.00 178.31 175.96 1ppx s GLU 69 N -2.68 0.41 -0.09 1.11 2.12 0.41 -4.99 118.70 114.99 1ppx s GLU 69 Ca -0.12 0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1ppx s GLU 69 Cb -0.01 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.61 1ppx s GLU 69 CO 0.45 -0.10 0.03 -1.59 -0.54 0.00 0.00 175.26 173.51 1ppx s LYS 70 N -0.56 0.41 0.03 4.30 -2.85 -1.26 0.13 119.74 119.94 1ppx s LYS 70 Ca 0.03 0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.05 1ppx s LYS 70 Cb -0.02 -1.07 -0.04 0.00 -2.06 0.00 0.00 37.83 34.63 1ppx s LYS 70 CO -0.05 -0.38 0.24 -0.48 0.10 0.00 0.00 175.35 174.79 1ppx s LEU 71 N 2.02 4.35 -0.18 2.77 0.05 0.28 -4.93 118.68 123.05 1ppx s LEU 71 Ca 0.04 0.43 -0.02 0.00 0.05 0.00 0.00 54.13 54.63 1ppx s LEU 71 Cb -0.13 -2.81 0.05 0.00 -2.05 0.00 0.00 46.19 41.25 1ppx s LEU 71 CO -0.05 0.21 0.01 -0.70 -0.55 0.00 0.00 176.35 175.27 1ppx s GLU 72 N -2.11 0.83 -0.03 1.48 2.12 -1.26 -0.56 118.70 119.17 1ppx s GLU 72 Ca 0.31 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1ppx s GLU 72 Cb -0.13 -1.99 0.03 0.00 0.26 0.00 0.00 34.13 32.30 1ppx s GLU 72 CO 0.21 -0.56 0.00 -0.47 -0.54 0.00 0.00 175.26 173.90 1ppx s TYR 73 N 1.80 0.32 -0.26 5.30 5.04 -0.59 -5.03 117.35 123.93 1ppx s TYR 73 Ca -0.00 0.00 -0.07 0.00 -2.44 0.00 0.00 57.07 54.56 1ppx s TYR 73 Cb -0.16 -0.43 -0.02 0.00 0.35 0.00 0.00 41.96 41.70 1ppx s TYR 73 CO -0.07 -0.14 0.07 -1.83 -1.34 0.00 0.00 175.55 172.24 1ppx s GLU 74 N 1.11 3.50 0.84 4.97 -1.05 -1.26 -1.41 118.70 125.39 1ppx s GLU 74 Ca -0.09 -0.58 -0.11 0.00 -0.15 0.00 0.00 54.97 54.04 1ppx s GLU 74 Cb -0.13 -3.34 0.09 0.00 -0.44 0.00 0.00 34.13 30.31 1ppx s GLU 74 CO -0.02 -0.26 1.09 -0.06 0.95 0.00 0.00 175.26 176.96 1ppx s PHE 75 N 1.59 2.46 -0.40 4.83 0.40 0.45 -4.75 117.98 122.56 1ppx s PHE 75 Ca 0.05 1.39 -0.08 0.00 -0.60 0.00 0.00 56.93 57.69 1ppx s PHE 75 Cb -0.16 -3.11 -0.10 0.00 0.51 0.00 0.00 43.02 40.16 1ppx s PHE 75 CO 0.03 -2.10 1.46 -0.35 0.70 0.00 0.00 175.22 174.97 1ppx n PRO 76 N -3.70 0.05 0.00 0.24 -0.04 -1.26 0.95 135.00 131.24 1ppx n PRO 76 Ca 0.08 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1ppx n PRO 76 Cb 0.54 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 8.46 0.00 -4.90 3.54 2.03 -1.26 -5.06 116.55 119.37 1ppx n ASP 77 Ca 0.20 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.20 1ppx n ASP 77 Cb 0.44 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.22 3.64 -0.44 -0.67 3.52 0.27 -3.06 118.95 121.99 1ppx s ARG 78 Ca 0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1ppx s ARG 78 Cb 0.00 -2.82 0.12 0.00 -1.56 0.00 0.00 34.95 30.69 1ppx s ARG 78 CO 0.00 0.44 0.18 -1.58 -0.81 0.00 0.00 175.30 173.53 1ppx s HIS 79 N -1.70 3.16 -0.05 5.12 5.65 -1.02 0.17 115.29 126.61 1ppx s HIS 79 Ca 0.42 -2.96 -0.16 0.00 0.25 0.00 0.00 55.06 52.61 1ppx s HIS 79 Cb -0.12 -2.69 -0.05 0.00 -1.18 0.00 0.00 32.58 28.54 1ppx s HIS 79 CO 0.24 -0.82 0.42 -1.50 -0.65 0.00 0.00 174.74 172.43 1ppx s ILE 80 N 0.27 5.11 -0.12 0.89 2.07 -0.50 -0.90 121.20 128.02 1ppx s ILE 80 Ca 0.15 0.84 -0.01 0.00 -1.41 0.00 0.00 60.65 60.22 1ppx s ILE 80 Cb -0.23 -3.74 0.03 0.00 0.13 0.00 0.00 42.46 38.65 1ppx s ILE 80 CO -0.04 0.48 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.52 1ppx s THR 81 N -0.37 0.95 -0.26 4.00 2.01 -1.08 -1.54 115.64 119.36 1ppx s THR 81 Ca 0.24 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1ppx s THR 81 Cb -0.16 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1ppx s THR 81 CO 0.11 0.30 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.07 1ppx s LEU 82 N 1.73 3.31 -0.15 4.42 1.98 0.27 0.13 118.68 130.37 1ppx s LEU 82 Ca 0.04 -0.94 -0.03 0.00 -2.89 0.00 0.00 54.13 50.31 1ppx s LEU 82 Cb -0.13 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.02 1ppx s LEU 82 CO -0.08 -0.15 -0.05 0.26 -1.89 0.00 0.00 176.35 174.44 1ppx s TRP 83 N 1.31 2.99 -0.27 5.38 0.52 0.74 0.99 118.94 130.61 1ppx s TRP 83 Ca -0.01 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 1ppx s TRP 83 Cb -0.17 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.25 1ppx s TRP 83 CO -0.04 -0.07 -0.04 -0.06 0.02 0.00 0.00 176.95 176.76 1ppx s PHE 84 N 0.38 3.18 0.14 -1.98 0.08 0.34 1.00 117.98 121.12 1ppx s PHE 84 Ca -0.05 -1.82 -0.06 0.00 0.12 0.00 0.00 56.93 55.12 1ppx s PHE 84 Cb -0.14 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1ppx s PHE 84 CO 0.03 -0.79 0.39 -1.58 -0.10 0.00 0.00 175.22 173.18 1ppx s TRP 85 N 1.26 3.48 -0.52 0.36 0.52 0.12 -0.44 118.94 123.71 1ppx s TRP 85 Ca -0.04 0.62 -0.17 0.00 0.02 0.00 0.00 56.10 56.53 1ppx s TRP 85 Cb -0.18 -2.05 0.09 0.00 -1.15 0.00 0.00 33.47 30.18 1ppx s TRP 85 CO -0.03 0.43 0.54 -1.17 0.02 0.00 0.00 176.95 176.73 1ppx s LEU 86 N -2.57 5.59 0.26 2.99 2.96 0.13 -2.29 118.68 125.75 1ppx s LEU 86 Ca 0.40 -1.39 -0.18 0.00 -0.22 0.00 0.00 54.13 52.74 1ppx s LEU 86 Cb -0.12 -2.27 -0.09 0.00 0.50 0.00 0.00 46.19 44.21 1ppx s LEU 86 CO 0.23 -0.85 0.74 -0.69 -1.32 0.00 0.00 176.35 174.46 1ppx s VAL 87 N 2.05 4.59 -0.19 1.68 1.01 -1.08 -3.57 120.40 124.90 1ppx s VAL 87 Ca 0.08 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1ppx s VAL 87 Cb -0.25 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1ppx s VAL 87 CO 0.07 0.08 -0.15 1.21 0.00 0.00 0.00 175.10 176.30 1ppx n GLU 88 N 0.37 0.54 -3.65 2.72 4.07 -1.02 -3.54 120.64 120.13 1ppx n GLU 88 Ca -0.00 0.10 -0.08 0.00 -0.06 0.00 0.00 57.16 57.12 1ppx n GLU 88 Cb 0.52 -1.38 -0.02 0.00 -0.06 0.00 0.00 31.44 30.50 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ppx s ARG 89 N -2.38 1.34 -0.12 5.31 6.06 -0.38 -4.26 118.95 124.51 1ppx s ARG 89 Ca -0.24 -0.65 -0.06 0.00 -2.50 0.00 0.00 55.73 52.28 1ppx s ARG 89 Cb 0.06 0.52 0.05 0.00 0.06 0.00 0.00 34.95 35.64 1ppx s ARG 89 CO 0.45 -0.60 0.28 1.67 -2.50 0.00 0.00 175.30 174.60 1ppx s TRP 90 N -3.58 -0.40 -0.37 5.12 -2.14 -1.22 -0.72 118.94 115.63 1ppx s TRP 90 Ca 0.07 0.92 -0.29 0.00 2.66 0.00 0.00 56.10 59.46 1ppx s TRP 90 Cb -0.03 0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.44 1ppx s TRP 90 CO -0.03 -0.27 1.25 -2.00 -2.66 0.00 0.00 176.95 173.24 1ppx s GLU 91 N 1.47 3.83 3.96 3.25 2.56 -1.12 -4.72 118.70 127.92 1ppx s GLU 91 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 54.97 55.89 1ppx s GLU 91 Cb -0.10 -3.89 0.00 0.00 2.00 0.00 0.00 34.13 32.14 1ppx s GLU 91 CO -0.09 -1.23 0.00 0.41 -0.56 0.00 0.00 175.26 173.79 1ppx n GLY 92 N 4.50 1.39 2.95 -1.50 0.00 -1.26 -4.40 105.19 106.88 1ppx n GLY 92 Ca 0.14 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 0.57 0.01 1.61 2.02 -1.26 -5.09 118.70 116.57 1ppx s GLU 93 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1ppx s GLU 93 Cb 0.00 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.62 1ppx s GLU 93 CO 0.00 0.08 1.13 -2.14 0.02 0.00 0.00 175.26 174.35 1ppx s PRO 94 N 0.11 4.45 0.17 0.39 0.02 -1.26 -4.71 135.00 134.17 1ppx s PRO 94 Ca -0.01 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1ppx s PRO 94 Cb -0.05 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1ppx s PRO 94 CO -0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1ppx n TRP 95 N 4.22 -1.07 0.00 6.54 4.27 0.21 -4.97 117.44 126.64 1ppx n TRP 95 Ca 0.09 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1ppx n TRP 95 Cb 0.48 0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.68 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 2.61 0.60 0.00 -1.67 0.00 -0.01 -3.67 105.19 103.04 1ppx n GLY 96 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.31 1.61 0.00 0.52 -4.71 118.16 115.27 1ppx n LYS 97 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.39 1ppx n LYS 97 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 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 0.65 0.00 1.64 4.11 -1.74 -3.46 114.58 115.78 1ppx h GLU 98 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ppx h GLU 98 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1ppx h GLU 98 CO 0.00 0.43 0.00 0.41 0.07 0.00 0.00 179.01 179.92 1ppx n GLY 99 N -1.33 0.48 2.52 1.06 0.00 -1.26 -5.00 105.19 101.67 1ppx n GLY 99 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1ppx n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppx s GLN 100 N -0.76 0.27 0.38 1.61 1.11 -1.26 -5.10 119.66 115.91 1ppx s GLN 100 Ca 0.00 -0.71 -0.23 0.00 0.01 0.00 0.00 55.36 54.44 1ppx s GLN 100 Cb 0.00 -1.18 -0.14 0.00 -1.01 0.00 0.00 33.01 30.67 1ppx s GLN 100 CO 0.00 -1.06 0.40 -2.30 0.01 0.00 0.00 175.29 172.34 1ppx n PRO 101 N 4.98 0.33 -4.40 2.91 -0.02 -1.26 -4.41 135.00 133.13 1ppx n PRO 101 Ca -0.02 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 1ppx n PRO 101 Cb 0.41 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.96 2.37 0.05 -1.23 0.00 -1.26 -3.71 107.32 102.57 1ppx s GLY 102 Ca 0.62 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1ppx s GLY 102 CO 0.59 -1.67 0.03 -0.54 0.00 0.00 0.00 173.10 171.52 1ppx s GLU 103 N -3.68 0.59 -0.40 2.90 2.02 -1.26 -4.95 118.70 113.92 1ppx s GLU 103 Ca 0.32 -0.98 -0.27 0.00 0.02 0.00 0.00 54.97 54.06 1ppx s GLU 103 Cb 0.03 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.45 1ppx s GLU 103 CO 0.19 -0.13 2.00 -1.58 0.02 0.00 0.00 175.26 175.76 1ppx s TRP 104 N -3.20 1.53 0.32 1.61 0.51 -1.26 -3.97 118.94 114.47 1ppx s TRP 104 Ca 0.00 0.82 0.10 0.00 -2.12 0.00 0.00 56.10 54.90 1ppx s TRP 104 Cb 0.03 -3.98 -0.06 0.00 -0.81 0.00 0.00 33.47 28.64 1ppx s TRP 104 CO -0.07 -2.94 -0.12 0.00 -0.51 0.00 0.00 176.95 173.31 1ppx s MET 105 N 6.57 1.74 -0.36 4.98 0.23 -1.12 -4.86 119.30 126.48 1ppx s MET 105 Ca 0.84 -1.87 -0.24 0.00 -1.03 0.00 0.00 55.69 53.39 1ppx s MET 105 Cb -0.21 -1.66 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1ppx s MET 105 CO 0.30 0.19 0.83 -1.54 -2.03 0.00 0.00 175.02 172.76 1ppx s SER 106 N -3.56 6.60 0.44 -1.18 1.04 -1.26 0.12 113.70 115.91 1ppx s SER 106 Ca 0.31 0.46 0.28 0.00 0.48 0.00 0.00 55.95 57.48 1ppx s SER 106 Cb 0.00 -2.42 0.88 0.00 0.10 0.00 0.00 66.02 64.58 1ppx s SER 106 CO 0.15 -0.75 1.79 0.25 0.98 0.00 0.00 173.24 175.66 1ppx h LEU 107 N 9.79 0.00 -1.88 2.42 7.12 -1.90 -3.20 115.31 127.67 1ppx h LEU 107 Ca -0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1ppx h LEU 107 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1ppx h LEU 107 CO 0.93 0.00 0.27 1.62 -0.13 0.00 0.00 178.44 181.13 1ppx h VAL 108 N 0.00 0.00 -1.04 1.05 3.04 -1.91 -2.61 116.25 114.78 1ppx h VAL 108 Ca 0.00 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 65.31 1ppx h VAL 108 Cb 0.71 0.63 -0.40 0.00 -2.01 0.00 0.00 31.29 30.21 1ppx h VAL 108 CO 0.00 0.00 -1.16 0.61 -1.01 0.00 0.00 177.57 176.01 1ppx n GLY 109 N -1.22 1.92 3.74 3.17 0.00 -1.21 -4.97 105.19 106.63 1ppx n GLY 109 Ca -0.02 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.17 3.59 -0.12 0.99 0.20 -0.99 -5.01 118.68 114.17 1ppx s LEU 110 Ca 0.29 2.50 -0.00 0.00 0.69 0.00 0.00 54.13 57.60 1ppx s LEU 110 Cb 0.45 -4.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.59 1ppx s LEU 110 CO 0.02 -1.84 -0.11 0.20 -0.29 0.00 0.00 176.35 174.32 1ppx s ASN 111 N -1.54 4.18 0.29 3.68 -0.87 -1.26 -4.89 114.94 114.52 1ppx s ASN 111 Ca 0.80 -0.26 0.25 0.00 -1.57 0.00 0.00 52.86 52.08 1ppx s ASN 111 Cb -0.34 -1.53 0.98 0.00 -0.02 0.00 0.00 41.25 40.34 1ppx s ASN 111 CO 0.37 0.20 1.75 0.00 -2.57 0.00 0.00 177.10 176.85 1ppx h ALA 112 N 6.47 1.00 0.07 0.60 0.00 -1.95 -2.85 119.26 122.60 1ppx h ALA 112 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1ppx h ALA 112 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ppx h ALA 112 CO 0.56 0.00 -0.47 0.22 0.00 0.00 0.00 179.25 179.56 1ppx h ASP 113 N 0.00 0.29 1.04 0.00 1.82 -1.96 -3.33 116.42 114.28 1ppx h ASP 113 Ca 0.00 -0.94 -0.03 0.00 -0.39 0.00 0.00 57.03 55.67 1ppx h ASP 113 Cb 0.47 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 1ppx h ASP 113 CO 0.00 1.20 -0.15 0.44 -1.61 0.00 0.00 179.24 179.12 1ppx h ASP 114 N -0.57 0.00 -1.52 2.28 3.32 -1.78 -3.40 116.42 114.75 1ppx h ASP 114 Ca -0.08 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.52 1ppx h ASP 114 Cb 1.34 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.93 1ppx h ASP 114 CO 0.09 0.15 -0.10 0.72 -1.72 0.00 0.00 179.24 178.38 1ppx s PHE 115 N -3.61 2.08 0.18 4.55 -0.71 -1.08 0.13 117.98 119.52 1ppx s PHE 115 Ca 0.01 -0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 55.17 1ppx s PHE 115 Cb 0.09 -2.50 -0.08 0.00 -1.21 0.00 0.00 43.02 39.33 1ppx s PHE 115 CO 0.61 -1.00 1.11 -1.25 -1.34 0.00 0.00 175.22 173.34 1ppx s PRO 116 N -4.68 4.59 0.28 1.99 0.04 -0.16 -4.49 135.00 132.57 1ppx s PRO 116 Ca 0.60 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.57 1ppx s PRO 116 Cb -0.08 -3.27 1.05 0.00 0.04 0.00 0.00 34.50 32.24 1ppx s PRO 116 CO 0.38 0.07 1.62 -0.35 0.04 0.00 0.00 177.00 178.76 1ppx n PRO 117 N 2.31 0.14 0.07 0.56 -0.04 -1.26 -2.57 135.00 134.20 1ppx n PRO 117 Ca 0.03 0.59 0.06 0.00 -0.04 0.00 0.00 63.50 64.14 1ppx n PRO 117 Cb 0.46 -1.91 0.31 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.19 -2.39 0.55 0.00 -1.26 -2.44 120.51 114.41 1ppx n ALA 118 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1ppx n ALA 118 Cb 0.06 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.37 1ppx n ALA 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ppx n ASN 119 N -1.85 2.74 -0.03 0.00 2.85 -1.06 -4.85 115.26 113.05 1ppx n ASN 119 Ca 0.00 -2.82 -0.15 0.00 -0.11 0.00 0.00 54.58 51.50 1ppx n ASN 119 Cb 0.06 -0.41 -0.12 0.00 1.24 0.00 0.00 39.78 40.56 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1ppx h GLU 120 N 2.13 0.13 -0.94 1.20 5.08 -1.68 -1.62 114.58 118.88 1ppx h GLU 120 Ca 0.05 -0.15 0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1ppx h GLU 120 Cb 1.41 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.63 1ppx h GLU 120 CO 0.37 0.90 0.60 -1.35 -1.00 0.00 0.00 179.01 178.53 1ppx h PRO 121 N -0.58 0.75 0.02 2.33 0.11 -1.89 1.59 132.00 134.33 1ppx h PRO 121 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ppx h PRO 121 Cb 0.98 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1ppx h PRO 121 CO 0.04 0.50 -0.01 0.28 -0.21 0.00 0.00 178.00 178.60 1ppx h VAL 122 N 0.78 1.51 0.00 3.15 2.07 -1.93 -3.31 116.25 118.52 1ppx h VAL 122 Ca 0.48 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1ppx h VAL 122 Cb 0.70 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1ppx h VAL 122 CO -0.25 0.47 -0.30 0.40 0.02 0.00 0.00 177.57 177.91 1ppx h ILE 123 N -0.88 1.22 -0.54 4.57 1.08 -0.89 -2.44 117.51 119.62 1ppx h ILE 123 Ca -0.00 -1.04 0.14 0.00 -0.39 0.00 0.00 64.86 63.56 1ppx h ILE 123 Cb 0.78 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 1ppx h ILE 123 CO 0.00 0.30 0.38 0.00 -0.69 0.00 0.00 178.15 178.14 1ppx h ALA 124 N 1.70 2.37 0.05 1.87 0.00 0.22 1.67 119.26 127.14 1ppx h ALA 124 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ppx h ALA 124 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ppx h ALA 124 CO 0.04 -0.52 -0.03 0.87 0.00 0.00 0.00 179.25 179.62 1ppx h LYS 125 N 0.10 -0.07 0.00 0.00 1.57 -1.54 -2.27 116.57 114.36 1ppx h LYS 125 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1ppx h LYS 125 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1ppx h LYS 125 CO -0.03 0.55 0.00 1.25 -0.57 0.00 0.00 179.45 180.65 1ppx h LEU 126 N -0.81 0.00 0.19 2.94 5.85 -1.43 -3.21 115.31 118.84 1ppx h LEU 126 Ca -0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1ppx h LEU 126 Cb 0.65 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.70 1ppx h LEU 126 CO 0.01 0.00 -1.13 0.50 -0.34 0.00 0.00 178.44 177.48 1ppx h LYS 127 N 0.00 0.40 0.00 1.25 3.64 0.24 -3.15 116.57 118.95 1ppx h LYS 127 Ca 0.00 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1ppx h LYS 127 Cb 0.90 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ppx h LYS 127 CO 0.00 1.33 0.00 -2.13 -2.27 0.00 0.00 179.45 176.38 1ppx n ARG 128 N -3.94 0.05 0.00 1.90 0.63 -0.85 -4.90 116.66 109.54 1ppx n ARG 128 Ca -0.16 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1ppx n ARG 128 Cb 0.95 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.36 1ppx n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59