#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 2.71 -0.16 3.17 2.20 -1.25 -5.00 119.74 121.40 1ppx s LYS 2 Ca 0.00 -1.11 -0.11 0.00 -0.36 0.00 0.00 55.97 54.39 1ppx s LYS 2 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1ppx s LYS 2 CO 0.00 -0.60 0.20 -1.59 -0.36 0.00 0.00 175.35 172.99 1ppx s LYS 3 N 1.41 4.05 -0.10 4.03 0.00 -1.26 -2.49 119.74 125.37 1ppx s LYS 3 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 55.97 55.89 1ppx s LYS 3 Cb -0.19 -3.37 0.02 0.00 0.00 0.00 0.00 37.83 34.30 1ppx s LYS 3 CO 0.02 0.40 -0.10 -0.48 0.00 0.00 0.00 175.35 175.18 1ppx s LEU 4 N 0.04 1.42 0.11 2.77 0.05 0.19 -4.93 118.68 118.32 1ppx s LEU 4 Ca 0.13 -0.34 0.02 0.00 0.05 0.00 0.00 54.13 53.99 1ppx s LEU 4 Cb -0.12 -0.90 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 1ppx s LEU 4 CO 0.02 -0.06 0.18 -1.10 -0.55 0.00 0.00 176.35 174.84 1ppx s GLN 5 N 1.33 3.20 -0.10 1.48 -0.21 -1.26 -1.35 119.66 122.75 1ppx s GLN 5 Ca -0.01 -0.62 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 1ppx s GLN 5 Cb -0.14 -2.87 0.04 0.00 1.00 0.00 0.00 33.01 31.04 1ppx s GLN 5 CO -0.05 0.55 0.24 0.96 -2.12 0.00 0.00 175.29 174.88 1ppx s ILE 6 N -1.58 -0.02 -0.12 1.08 -4.36 0.38 -3.17 121.20 113.40 1ppx s ILE 6 Ca 0.33 0.08 0.02 0.00 -0.26 0.00 0.00 60.65 60.81 1ppx s ILE 6 Cb -0.12 -0.36 0.02 0.00 1.25 0.00 0.00 42.46 43.25 1ppx s ILE 6 CO 0.26 0.03 -0.16 0.00 0.24 0.00 0.00 174.94 175.31 1ppx s ALA 7 N 0.73 1.80 0.28 2.27 0.00 -0.92 -1.02 121.76 124.89 1ppx s ALA 7 Ca -0.05 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1ppx s ALA 7 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1ppx s ALA 7 CO -0.04 -0.13 -0.19 0.14 0.00 0.00 0.00 175.76 175.54 1ppx s VAL 8 N 1.06 2.40 -0.21 0.00 -7.23 0.35 -3.87 120.40 112.90 1ppx s VAL 8 Ca -0.04 -2.38 -0.05 0.00 -1.81 0.00 0.00 61.98 57.70 1ppx s VAL 8 Cb -0.15 -2.31 0.10 0.00 0.56 0.00 0.00 36.38 34.59 1ppx s VAL 8 CO -0.03 -0.40 0.37 -0.83 -0.31 0.00 0.00 175.10 173.89 1ppx s GLY 9 N -3.50 -0.32 -0.38 2.32 0.00 -1.17 0.75 107.32 105.02 1ppx s GLY 9 Ca 0.30 1.09 -0.28 0.00 0.00 0.00 0.00 44.72 45.83 1ppx s GLY 9 CO 0.15 2.43 1.65 -0.42 0.00 0.00 0.00 173.10 176.91 1ppx s ILE 10 N 2.54 3.63 -0.10 0.90 1.09 -1.11 -4.61 121.20 123.54 1ppx s ILE 10 Ca 0.05 0.63 -0.29 0.00 -1.10 0.00 0.00 60.65 59.94 1ppx s ILE 10 Cb -0.14 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 1ppx s ILE 10 CO -0.13 -0.58 1.47 -0.63 -0.10 0.00 0.00 174.94 174.97 1ppx s ILE 11 N 6.44 3.90 -0.28 2.92 1.09 -1.26 -2.62 121.20 131.40 1ppx s ILE 11 Ca 0.72 1.09 -0.27 0.00 -1.10 0.00 0.00 60.65 61.09 1ppx s ILE 11 Cb -0.19 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1ppx s ILE 11 CO 0.32 -0.09 0.96 -0.13 -0.10 0.00 0.00 174.94 175.90 1ppx s ARG 12 N 3.73 4.12 0.22 2.79 1.81 -1.23 -2.06 118.95 128.33 1ppx s ARG 12 Ca 0.65 1.02 -0.04 0.00 -1.72 0.00 0.00 55.73 55.64 1ppx s ARG 12 Cb -0.28 -3.69 0.05 0.00 -0.45 0.00 0.00 34.95 30.58 1ppx s ARG 12 CO 0.23 -0.71 0.26 -1.71 -0.68 0.00 0.00 175.30 172.69 1ppx n ASN 13 N 6.41 -0.46 -0.20 0.23 5.15 0.56 -3.13 115.26 123.83 1ppx n ASN 13 Ca 0.09 -0.92 0.10 0.00 -0.60 0.00 0.00 54.58 53.25 1ppx n ASN 13 Cb 0.47 -0.21 0.51 0.00 -0.53 0.00 0.00 39.78 40.02 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ppx n GLU 14 N -1.82 1.27 -2.72 1.20 0.00 -1.26 -4.03 120.64 113.27 1ppx n GLU 14 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 57.16 56.69 1ppx n GLU 14 Cb 0.12 -1.34 0.02 0.00 0.00 0.00 0.00 31.44 30.24 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 -0.40 1.49 -1.57 4.31 2.85 -1.26 -4.94 115.26 115.74 1ppx n ASN 15 Ca 0.15 -2.79 -0.07 0.00 -0.11 0.00 0.00 54.58 51.76 1ppx n ASN 15 Cb 0.16 -0.54 -0.02 0.00 1.24 0.00 0.00 39.78 40.62 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 -0.03 -2.19 -4.48 1.20 6.94 -1.26 -4.90 115.26 110.54 1ppx n ASN 16 Ca 0.12 0.22 -0.27 0.00 -0.02 0.00 0.00 54.58 54.63 1ppx n ASN 16 Cb 0.79 -2.15 -0.11 0.00 -2.36 0.00 0.00 39.78 35.95 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ppx s GLU 17 N -3.31 1.75 0.02 -3.83 2.02 -1.26 -4.21 118.70 109.87 1ppx s GLU 17 Ca 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 54.97 53.69 1ppx s GLU 17 Cb 0.00 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1ppx s GLU 17 CO 0.00 0.43 -0.20 0.42 0.02 0.00 0.00 175.26 175.93 1ppx s ILE 18 N -1.55 2.62 -0.86 -1.63 1.09 0.32 0.21 121.20 121.40 1ppx s ILE 18 Ca 0.21 -1.13 -0.20 0.00 -1.10 0.00 0.00 60.65 58.43 1ppx s ILE 18 Cb -0.09 -2.05 0.10 0.00 -1.06 0.00 0.00 42.46 39.36 1ppx s ILE 18 CO 0.11 0.42 1.12 0.12 -0.10 0.00 0.00 174.94 176.61 1ppx s PHE 19 N -0.83 2.92 0.25 3.97 2.19 -0.87 -0.90 117.98 124.71 1ppx s PHE 19 Ca 0.13 -1.09 0.08 0.00 0.33 0.00 0.00 56.93 56.39 1ppx s PHE 19 Cb -0.10 -4.33 -0.04 0.00 -1.31 0.00 0.00 43.02 37.23 1ppx s PHE 19 CO 0.03 -1.59 0.05 0.96 1.83 0.00 0.00 175.22 176.51 1ppx s ILE 20 N 3.35 3.78 -0.05 3.12 -4.36 -1.22 -4.55 121.20 121.27 1ppx s ILE 20 Ca 0.31 -1.70 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 1ppx s ILE 20 Cb -0.08 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1ppx s ILE 20 CO -0.04 -0.33 1.29 0.42 0.24 0.00 0.00 174.94 176.52 1ppx s THR 21 N -2.19 4.05 -0.08 8.37 -4.23 -0.53 -2.99 115.64 118.04 1ppx s THR 21 Ca 0.31 1.39 0.01 0.00 -1.18 0.00 0.00 61.69 62.22 1ppx s THR 21 Cb -0.07 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 69.90 1ppx s THR 21 CO 0.21 -0.02 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.59 1ppx s ARG 22 N 2.46 1.40 3.60 3.99 3.52 -1.15 -2.33 118.95 130.44 1ppx s ARG 22 Ca 0.59 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1ppx s ARG 22 Cb -0.27 -1.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 1ppx s ARG 22 CO 0.23 -0.13 0.00 -2.13 -0.81 0.00 0.00 175.30 172.46 1ppx n ARG 23 N 4.39 0.00 0.00 5.12 3.00 -1.18 -4.55 116.66 123.44 1ppx n ARG 23 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1ppx n ARG 23 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ppx n ALA 24 N 8.63 0.00 -1.74 5.13 0.00 -1.26 -4.59 120.51 126.68 1ppx n ALA 24 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ppx n ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.09 -2.19 0.00 0.00 -1.26 -4.75 120.51 112.21 1ppx n ALA 25 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ppx n ALA 25 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.35 -0.03 -0.59 0.00 5.75 -1.26 -5.16 116.55 116.61 1ppx n ASP 26 Ca -0.04 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1ppx n ASP 26 Cb 0.39 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ppx n ALA 27 N -0.03 0.00 -3.94 2.12 0.00 -1.26 -5.10 120.51 112.30 1ppx n ALA 27 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ppx n ALA 27 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 1ppx n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ppx s HIS 28 N -2.05 3.24 -0.21 0.00 2.46 -1.26 -4.85 115.29 112.61 1ppx s HIS 28 Ca 0.00 -3.19 0.17 0.00 0.47 0.00 0.00 55.06 52.51 1ppx s HIS 28 Cb 0.00 -2.82 0.39 0.00 -0.13 0.00 0.00 32.58 30.02 1ppx s HIS 28 CO 0.00 -0.72 1.25 -1.33 -2.47 0.00 0.00 174.74 171.48 1ppx n MET 29 N 2.97 1.09 0.27 2.88 2.81 -1.26 -4.92 117.12 120.96 1ppx n MET 29 Ca 0.07 -2.12 0.14 0.00 -1.81 0.00 0.00 57.70 53.98 1ppx n MET 29 Cb 0.33 -0.35 0.78 0.00 -0.71 0.00 0.00 33.22 33.27 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx h ALA 30 N 1.42 1.25 -0.42 3.04 0.00 -1.88 -1.49 119.26 121.18 1ppx h ALA 30 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ppx h ALA 30 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ppx h ALA 30 CO -0.03 0.11 0.00 0.27 0.00 0.00 0.00 179.25 179.60 1ppx n ASN 31 N -3.56 3.41 -0.88 0.00 0.23 -1.22 -4.01 115.26 109.24 1ppx n ASN 31 Ca -0.02 -2.34 0.02 0.00 -0.53 0.00 0.00 54.58 51.71 1ppx n ASN 31 Cb 0.22 -0.49 0.21 0.00 -2.08 0.00 0.00 39.78 37.64 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ppx n LYS 32 N 0.62 1.98 -1.16 -3.83 5.02 -0.57 -1.87 118.16 118.36 1ppx n LYS 32 Ca 0.17 -3.05 -0.26 0.00 -2.02 0.00 0.00 58.31 53.16 1ppx n LYS 32 Cb 0.66 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.14 0.00 -0.35 7.94 0.46 -4.48 117.00 120.69 1ppx n LEU 33 Ca 0.26 -2.09 -0.07 0.00 -1.11 0.00 0.00 56.01 53.01 1ppx n LEU 33 Cb 0.91 -1.24 0.01 0.00 0.53 0.00 0.00 43.42 43.62 1ppx n LEU 33 CO 0.13 -3.02 0.04 1.21 -1.11 0.00 0.00 177.39 174.64 1ppx n GLU 34 N 8.01 1.16 -4.47 1.96 2.13 -0.98 -3.93 120.64 124.52 1ppx n GLU 34 Ca 0.43 -0.91 -0.24 0.00 0.66 0.00 0.00 57.16 57.09 1ppx n GLU 34 Cb 0.45 0.05 -0.10 0.00 0.27 0.00 0.00 31.44 32.11 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 -0.51 2.33 1.08 4.31 0.40 -1.26 -1.45 117.98 122.88 1ppx s PHE 35 Ca 0.11 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 1ppx s PHE 35 Cb -0.01 -1.05 0.24 0.00 0.51 0.00 0.00 43.02 42.71 1ppx s PHE 35 CO 0.07 0.70 1.06 -1.25 0.70 0.00 0.00 175.22 176.50 1ppx s PRO 36 N -3.53 -0.27 0.00 0.24 0.04 -1.26 -4.80 135.00 125.42 1ppx s PRO 36 Ca 0.30 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1ppx s PRO 36 Cb -0.04 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1ppx s PRO 36 CO 0.15 -3.28 0.00 0.41 0.04 0.00 0.00 177.00 174.33 1ppx n GLY 37 N 0.08 0.82 2.95 0.56 0.00 -1.25 -3.02 105.19 105.33 1ppx n GLY 37 Ca 0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1ppx n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppx s GLY 38 N -1.69 1.04 0.00 -0.02 0.00 -1.25 -2.16 107.32 103.23 1ppx s GLY 38 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1ppx s GLY 38 CO 0.00 0.75 0.00 1.17 0.00 0.00 0.00 173.10 175.02 1ppx n LYS 39 N 4.82 0.00 0.25 2.90 4.81 -1.26 -5.00 118.16 124.68 1ppx n LYS 39 Ca -0.14 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.45 1ppx n LYS 39 Cb 0.49 0.00 0.85 0.00 0.02 0.00 0.00 35.03 36.39 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 0.56 0.00 3.15 3.07 -1.81 -3.27 117.51 119.21 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 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 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 -3.92 0.00 0.00 0.16 0.28 -1.19 -4.11 120.64 111.86 1ppx n GLU 41 Ca -0.01 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1ppx n GLU 41 Cb 0.18 -0.83 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 -0.59 0.00 -1.08 3.44 2.81 -1.24 -2.61 117.12 117.86 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 -0.29 1.57 3.03 0.00 -1.26 -5.13 105.19 103.12 1ppx n GLY 43 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.14 0.03 -3.80 1.61 4.71 -1.07 -5.08 120.64 116.89 1ppx n GLU 44 Ca -0.05 -1.01 -0.27 0.00 -0.01 0.00 0.00 57.16 55.82 1ppx n GLU 44 Cb 0.45 -0.37 -0.03 0.00 -1.01 0.00 0.00 31.44 30.48 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 -1.47 5.26 0.59 2.62 2.01 -1.26 -4.76 115.64 118.63 1ppx s THR 45 Ca 0.28 -0.50 0.31 0.00 0.31 0.00 0.00 61.69 62.09 1ppx s THR 45 Cb -0.01 -3.73 0.44 0.00 0.01 0.00 0.00 72.50 69.20 1ppx s THR 45 CO 0.19 -0.13 1.54 1.55 -0.69 0.00 0.00 174.62 177.07 1ppx h PRO 46 N 2.08 0.00 0.00 4.92 0.13 -1.98 1.18 132.00 138.33 1ppx h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1ppx h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1ppx h PRO 46 CO 0.68 0.00 -2.17 0.39 -0.23 0.00 0.00 178.00 176.68 1ppx n GLU 47 N -3.51 0.57 0.06 0.86 1.02 -1.26 -4.49 120.64 113.88 1ppx n GLU 47 Ca 0.22 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 1ppx n GLU 47 Cb 1.32 -1.41 0.50 0.00 -0.02 0.00 0.00 31.44 31.83 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 -3.07 0.14 0.17 3.49 6.02 -0.21 -3.19 117.38 120.73 1ppx n GLN 48 Ca -0.36 0.12 -0.14 0.00 -0.01 0.00 0.00 57.00 56.60 1ppx n GLN 48 Cb 0.90 -1.67 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 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 2.74 -0.38 0.09 -1.58 0.00 0.11 -1.26 119.26 118.97 1ppx h ALA 49 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1ppx h ALA 49 Cb 0.63 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ppx h ALA 49 CO 0.00 -0.68 -0.79 -0.39 0.00 0.00 0.00 179.25 177.38 1ppx h VAL 50 N -0.44 1.45 -0.99 0.00 -1.51 -1.80 -2.68 116.25 110.29 1ppx h VAL 50 Ca -0.04 -2.35 0.14 0.00 -1.23 0.00 0.00 66.70 63.22 1ppx h VAL 50 Cb 0.33 2.91 -0.09 0.00 -2.13 0.00 0.00 31.29 32.32 1ppx h VAL 50 CO 0.06 0.68 0.62 0.58 -1.23 0.00 0.00 177.57 178.28 1ppx h VAL 51 N -0.19 0.85 0.02 7.19 2.07 -1.59 1.21 116.25 125.81 1ppx h VAL 51 Ca -0.12 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ppx h VAL 51 Cb 1.56 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1ppx h VAL 51 CO 0.15 0.16 -0.01 0.03 0.02 0.00 0.00 177.57 177.92 1ppx h ARG 52 N 0.88 -0.02 0.00 1.57 3.08 -1.32 -3.31 114.38 115.26 1ppx h ARG 52 Ca 0.51 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.54 1ppx h ARG 52 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1ppx h ARG 52 CO -0.28 0.72 -0.08 0.93 -1.07 0.00 0.00 179.97 180.18 1ppx h GLU 53 N -0.94 0.00 -0.69 0.04 4.39 -1.22 -2.92 114.58 113.25 1ppx h GLU 53 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.79 1ppx h GLU 53 Cb 0.75 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 1ppx h GLU 53 CO 0.00 0.08 0.32 -0.07 -1.16 0.00 0.00 179.01 178.19 1ppx h LEU 54 N 0.00 0.40 -1.62 1.33 4.07 0.14 0.63 115.31 120.26 1ppx h LEU 54 Ca -0.00 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.04 1ppx h LEU 54 Cb 0.42 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1ppx h LEU 54 CO 0.01 0.22 0.28 1.56 -1.08 0.00 0.00 178.44 179.43 1ppx h GLN 55 N 0.55 0.50 0.00 1.13 4.20 -1.66 1.27 115.11 121.11 1ppx h GLN 55 Ca 0.34 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 1ppx h GLN 55 Cb 0.38 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1ppx h GLN 55 CO -0.28 0.33 -0.51 1.49 -0.67 0.00 0.00 178.83 179.19 1ppx h GLU 56 N 0.52 0.00 -0.27 1.46 4.81 -0.37 0.14 114.58 120.87 1ppx h GLU 56 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1ppx h GLU 56 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ppx h GLU 56 CO -0.04 0.51 0.00 0.39 -0.73 0.00 0.00 179.01 179.14 1ppx n GLU 57 N -3.32 2.08 0.00 1.92 4.71 0.18 0.17 120.64 126.37 1ppx n GLU 57 Ca 0.01 -1.84 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1ppx n GLU 57 Cb 0.69 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 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 0.75 0.00 -0.62 2.62 0.31 0.42 -4.11 118.33 117.70 1ppx n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ppx n VAL 58 Cb 0.42 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 2.02 0.00 1.42 2.92 0.00 0.49 0.08 105.19 112.11 1ppx n GLY 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ppx n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppx n ILE 60 N -1.77 0.00 -3.76 -0.61 -5.35 -1.26 -4.77 119.36 101.83 1ppx n ILE 60 Ca 0.00 -0.91 -0.34 0.00 -0.27 0.00 0.00 62.75 61.23 1ppx n ILE 60 Cb 0.16 0.08 -0.10 0.00 -1.74 0.00 0.00 39.64 38.04 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 -1.57 3.55 0.04 7.28 -4.23 -1.26 -4.96 115.64 114.48 1ppx s THR 61 Ca 0.02 -3.32 0.07 0.00 -1.18 0.00 0.00 61.69 57.28 1ppx s THR 61 Cb -0.00 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 1ppx s THR 61 CO 0.02 -0.91 -0.16 -2.16 -0.54 0.00 0.00 174.62 170.86 1ppx s PRO 62 N -0.47 2.14 -1.24 3.99 0.04 -1.26 -2.90 135.00 135.29 1ppx s PRO 62 Ca 0.20 -0.95 -0.20 0.00 0.04 0.00 0.00 61.00 60.09 1ppx s PRO 62 Cb -0.18 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1ppx s PRO 62 CO -0.05 0.55 1.84 1.04 0.04 0.00 0.00 177.00 180.41 1ppx n GLN 63 N 1.51 2.40 -5.19 4.56 6.02 -0.36 -4.86 117.38 121.45 1ppx n GLN 63 Ca -0.16 -2.87 -0.31 0.00 -0.01 0.00 0.00 57.00 53.65 1ppx n GLN 63 Cb 0.52 -3.62 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 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 7.66 2.45 0.00 1.08 2.46 -1.24 -0.73 115.29 126.96 1ppx s HIS 64 Ca 0.61 -0.92 0.00 0.00 0.47 0.00 0.00 55.06 55.23 1ppx s HIS 64 Cb 0.02 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.84 1ppx s HIS 64 CO 0.11 -0.35 0.00 0.34 -2.47 0.00 0.00 174.74 172.37 1ppx n PHE 65 N 3.36 0.00 -1.43 3.88 7.35 -1.26 -4.95 117.46 124.41 1ppx n PHE 65 Ca -0.19 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.64 1ppx n PHE 65 Cb 0.53 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.28 1ppx n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ppx n SER 66 N 0.00 -7.47 -4.05 -2.13 2.88 -1.24 -2.51 113.62 99.09 1ppx n SER 66 Ca 0.00 1.45 -0.32 0.00 -1.33 0.00 0.00 58.87 58.67 1ppx n SER 66 Cb 0.00 -4.84 -0.15 0.00 -0.75 0.00 0.00 64.21 58.47 1ppx n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ppx s LEU 67 N -6.87 3.21 -0.04 2.46 0.20 -1.26 -0.44 118.68 115.94 1ppx s LEU 67 Ca 0.00 -1.31 -0.23 0.00 0.69 0.00 0.00 54.13 53.28 1ppx s LEU 67 Cb 0.00 -1.48 -0.25 0.00 -0.43 0.00 0.00 46.19 44.03 1ppx s LEU 67 CO 0.00 -0.18 1.02 0.15 -0.29 0.00 0.00 176.35 177.04 1ppx h PHE 68 N 7.81 0.39 -1.74 5.38 3.04 -1.54 -3.42 116.94 126.86 1ppx h PHE 68 Ca -0.21 -0.22 0.17 0.00 3.98 0.00 0.00 57.97 61.69 1ppx h PHE 68 Cb 1.05 -0.04 -0.19 0.00 2.56 0.00 0.00 35.95 39.33 1ppx h PHE 68 CO 0.61 1.05 0.66 -2.00 -2.02 0.00 0.00 178.31 176.61 1ppx s GLU 69 N -3.01 0.52 -0.13 1.11 2.12 -0.13 -4.99 118.70 114.19 1ppx s GLU 69 Ca -0.15 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1ppx s GLU 69 Cb 0.01 0.24 0.06 0.00 0.26 0.00 0.00 34.13 34.71 1ppx s GLU 69 CO 0.77 -0.21 0.17 -1.59 -0.54 0.00 0.00 175.26 173.86 1ppx s LYS 70 N -2.32 0.08 -0.10 4.30 -2.85 -1.26 0.15 119.74 117.74 1ppx s LYS 70 Ca 0.06 0.35 -0.01 0.00 -1.00 0.00 0.00 55.97 55.36 1ppx s LYS 70 Cb -0.01 -0.82 -0.03 0.00 -2.06 0.00 0.00 37.83 34.91 1ppx s LYS 70 CO -0.05 -0.47 -0.04 -1.17 0.10 0.00 0.00 175.35 173.71 1ppx s LEU 71 N 2.28 3.29 -0.15 2.77 2.96 -0.32 -4.95 118.68 124.55 1ppx s LEU 71 Ca 0.04 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1ppx s LEU 71 Cb -0.14 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1ppx s LEU 71 CO -0.08 0.30 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.51 1ppx s GLU 72 N -0.43 1.26 0.03 1.98 2.12 -1.26 -1.72 118.70 120.69 1ppx s GLU 72 Ca 0.07 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1ppx s GLU 72 Cb -0.12 -1.87 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1ppx s GLU 72 CO 0.02 -0.43 -0.08 -0.47 -0.54 0.00 0.00 175.26 173.76 1ppx s TYR 73 N 1.70 0.68 -0.12 5.30 5.04 -0.74 -5.03 117.35 124.17 1ppx s TYR 73 Ca 0.01 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 1ppx s TYR 73 Cb -0.15 -0.41 0.01 0.00 0.35 0.00 0.00 41.96 41.76 1ppx s TYR 73 CO -0.07 -0.06 -0.23 -1.83 -1.34 0.00 0.00 175.55 172.02 1ppx s GLU 74 N -1.26 3.02 0.70 4.97 -1.05 -1.26 -1.02 118.70 122.81 1ppx s GLU 74 Ca -0.07 -0.86 -0.11 0.00 -0.15 0.00 0.00 54.97 53.78 1ppx s GLU 74 Cb -0.08 -2.37 0.01 0.00 -0.44 0.00 0.00 34.13 31.25 1ppx s GLU 74 CO 0.00 0.06 1.08 -0.06 0.95 0.00 0.00 175.26 177.30 1ppx s PHE 75 N 0.62 3.30 -0.78 4.83 0.08 0.33 -4.84 117.98 121.52 1ppx s PHE 75 Ca -0.12 1.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.86 1ppx s PHE 75 Cb -0.17 -3.01 -0.18 0.00 -0.57 0.00 0.00 43.02 39.10 1ppx s PHE 75 CO 0.03 -1.18 1.93 -0.35 -0.10 0.00 0.00 175.22 175.55 1ppx n PRO 76 N -3.03 0.15 0.00 0.24 -0.04 -1.26 0.98 135.00 132.05 1ppx n PRO 76 Ca 0.07 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1ppx n PRO 76 Cb 0.56 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ppx n ASP 77 N 15.13 0.00 -4.04 3.54 5.75 -1.26 -5.04 116.55 130.63 1ppx n ASP 77 Ca 0.35 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 55.02 1ppx n ASP 77 Cb 0.44 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1ppx s ARG 78 N -0.80 0.46 -0.32 0.11 6.06 0.28 -1.52 118.95 123.22 1ppx s ARG 78 Ca 0.00 -0.71 0.02 0.00 -2.50 0.00 0.00 55.73 52.54 1ppx s ARG 78 Cb 0.00 -0.16 0.09 0.00 0.06 0.00 0.00 34.95 34.94 1ppx s ARG 78 CO 0.00 0.02 0.05 -1.01 -2.50 0.00 0.00 175.30 171.85 1ppx s HIS 79 N -1.41 3.02 -0.21 5.12 3.76 -1.04 0.12 115.29 124.65 1ppx s HIS 79 Ca -0.12 -2.48 -0.10 0.00 -0.15 0.00 0.00 55.06 52.21 1ppx s HIS 79 Cb -0.10 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 1ppx s HIS 79 CO -0.00 -0.91 0.13 -1.50 -0.85 0.00 0.00 174.74 171.61 1ppx s ILE 80 N 1.17 5.29 -0.16 0.60 2.07 -0.19 0.53 121.20 130.50 1ppx s ILE 80 Ca 0.08 0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1ppx s ILE 80 Cb -0.19 -3.43 0.03 0.00 0.13 0.00 0.00 42.46 39.00 1ppx s ILE 80 CO -0.13 0.41 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.28 1ppx s THR 81 N 0.59 1.66 -0.18 4.00 2.01 -0.46 -1.79 115.64 121.47 1ppx s THR 81 Ca 0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1ppx s THR 81 Cb -0.12 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.85 1ppx s THR 81 CO 0.00 0.41 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.78 1ppx s LEU 82 N 1.44 1.99 -0.22 4.42 0.05 -0.70 0.14 118.68 125.80 1ppx s LEU 82 Ca 0.04 -0.78 -0.06 0.00 0.05 0.00 0.00 54.13 53.37 1ppx s LEU 82 Cb -0.13 -1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 42.87 1ppx s LEU 82 CO -0.11 -0.16 0.04 0.26 -0.55 0.00 0.00 176.35 175.84 1ppx s TRP 83 N 1.49 3.08 -0.29 3.48 0.51 -0.19 -1.18 118.94 125.85 1ppx s TRP 83 Ca -0.00 -0.38 -0.13 0.00 -2.12 0.00 0.00 56.10 53.47 1ppx s TRP 83 Cb -0.16 -2.16 -0.04 0.00 -0.81 0.00 0.00 33.47 30.30 1ppx s TRP 83 CO -0.08 -0.26 0.26 -0.06 -0.51 0.00 0.00 176.95 176.30 1ppx s PHE 84 N 1.24 3.23 0.05 -1.98 0.40 0.40 -0.50 117.98 120.82 1ppx s PHE 84 Ca 0.04 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1ppx s PHE 84 Cb -0.15 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1ppx s PHE 84 CO 0.03 -0.23 0.17 -1.58 0.70 0.00 0.00 175.22 174.31 1ppx s TRP 85 N 1.86 3.45 -0.48 0.36 0.52 0.23 -0.95 118.94 123.93 1ppx s TRP 85 Ca 0.09 0.23 -0.13 0.00 0.02 0.00 0.00 56.10 56.31 1ppx s TRP 85 Cb -0.16 -1.74 0.10 0.00 -1.15 0.00 0.00 33.47 30.51 1ppx s TRP 85 CO 0.11 0.58 0.39 -1.17 0.02 0.00 0.00 176.95 176.88 1ppx s LEU 86 N -2.36 5.69 0.35 2.99 1.98 0.42 -2.74 118.68 125.01 1ppx s LEU 86 Ca 0.32 -1.58 -0.24 0.00 -2.89 0.00 0.00 54.13 49.74 1ppx s LEU 86 Cb -0.13 -2.12 -0.10 0.00 0.66 0.00 0.00 46.19 44.50 1ppx s LEU 86 CO 0.25 -0.69 0.94 -0.69 -1.89 0.00 0.00 176.35 174.27 1ppx s VAL 87 N 1.54 4.27 -0.02 1.68 1.01 -1.08 -3.67 120.40 124.13 1ppx s VAL 87 Ca 0.04 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.78 1ppx s VAL 87 Cb -0.26 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1ppx s VAL 87 CO 0.04 0.01 0.09 -1.84 0.00 0.00 0.00 175.10 173.40 1ppx n GLU 88 N 0.22 1.13 -3.45 2.72 0.28 -1.11 -3.57 120.64 116.87 1ppx n GLU 88 Ca 0.03 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1ppx n GLU 88 Cb 0.51 -1.14 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ppx s ARG 89 N -2.31 1.14 -0.25 3.44 6.06 0.10 -4.55 118.95 122.57 1ppx s ARG 89 Ca -0.02 -0.42 -0.11 0.00 -2.50 0.00 0.00 55.73 52.68 1ppx s ARG 89 Cb 0.03 0.52 0.10 0.00 0.06 0.00 0.00 34.95 35.66 1ppx s ARG 89 CO 0.23 -0.50 0.57 1.67 -2.50 0.00 0.00 175.30 174.78 1ppx s TRP 90 N -3.55 -1.03 -0.08 5.12 -2.14 -1.22 -1.23 118.94 114.80 1ppx s TRP 90 Ca 0.02 1.94 -0.27 0.00 2.66 0.00 0.00 56.10 60.45 1ppx s TRP 90 Cb -0.01 0.57 -0.02 0.00 -3.10 0.00 0.00 33.47 30.90 1ppx s TRP 90 CO -0.12 -0.54 0.88 -1.21 -2.66 0.00 0.00 176.95 173.30 1ppx s GLU 91 N 2.26 4.44 6.09 3.25 2.02 -1.14 -4.79 118.70 130.82 1ppx s GLU 91 Ca -0.07 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.10 1ppx s GLU 91 Cb -0.10 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1ppx s GLU 91 CO -0.17 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.38 1ppx n GLY 92 N 3.12 1.19 2.96 -1.39 0.00 -1.26 -4.35 105.19 105.47 1ppx n GLY 92 Ca 0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 0.55 0.01 1.61 2.02 -1.26 -5.13 118.70 116.50 1ppx s GLU 93 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 1ppx s GLU 93 Cb 0.00 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 1ppx s GLU 93 CO 0.00 0.10 1.14 -2.14 0.02 0.00 0.00 175.26 174.38 1ppx s PRO 94 N 0.01 4.44 0.19 0.39 0.02 -1.26 -4.69 135.00 134.10 1ppx s PRO 94 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1ppx s PRO 94 Cb -0.04 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1ppx s PRO 94 CO -0.00 -0.25 0.00 -2.67 -0.33 0.00 0.00 177.00 173.75 1ppx n TRP 95 N 4.25 -1.53 0.00 6.54 4.27 0.11 -4.99 117.44 126.10 1ppx n TRP 95 Ca 0.09 0.27 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1ppx n TRP 95 Cb 0.48 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.87 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 1.92 0.45 0.96 -1.67 0.00 0.35 -3.18 105.19 104.02 1ppx n GLY 96 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.03 -0.03 1.61 3.00 0.45 -4.69 118.16 118.54 1ppx n LYS 97 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1ppx n LYS 97 Cb 0.00 0.30 0.29 0.00 0.00 0.00 0.00 35.03 35.63 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 0.02 0.59 -0.07 1.64 4.11 -1.73 -3.47 114.58 115.67 1ppx h GLU 98 Ca -0.03 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 1ppx h GLU 98 Cb 0.74 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ppx h GLU 98 CO -0.01 0.56 -0.02 0.41 0.07 0.00 0.00 179.01 180.02 1ppx n GLY 99 N -0.97 0.45 2.52 1.06 0.00 -1.26 -5.02 105.19 101.97 1ppx n GLY 99 Ca 0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1ppx n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppx s GLN 100 N -2.34 0.34 0.10 1.61 2.00 -1.26 -5.12 119.66 114.99 1ppx s GLN 100 Ca 0.00 -0.84 -0.35 0.00 -2.00 0.00 0.00 55.36 52.18 1ppx s GLN 100 Cb 0.00 -1.19 -0.18 0.00 0.80 0.00 0.00 33.01 32.44 1ppx s GLN 100 CO 0.00 -1.10 1.02 -2.30 -0.50 0.00 0.00 175.29 172.41 1ppx n PRO 101 N 4.77 0.50 -4.40 1.67 -0.02 -1.26 -4.50 135.00 131.75 1ppx n PRO 101 Ca 0.01 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 1ppx n PRO 101 Cb 0.40 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.15 2.39 0.06 -1.23 0.00 -1.26 -2.91 107.32 104.22 1ppx s GLY 102 Ca 0.79 -1.60 -0.10 0.00 0.00 0.00 0.00 44.72 43.81 1ppx s GLY 102 CO 0.54 -1.67 0.22 -0.54 0.00 0.00 0.00 173.10 171.65 1ppx s GLU 103 N -3.66 0.78 -0.41 2.90 0.41 -1.16 -4.95 118.70 112.61 1ppx s GLU 103 Ca 0.32 -0.74 -0.28 0.00 -0.41 0.00 0.00 54.97 53.86 1ppx s GLU 103 Cb 0.03 0.33 -0.03 0.00 -1.78 0.00 0.00 34.13 32.68 1ppx s GLU 103 CO 0.19 -0.24 1.93 -1.58 -0.49 0.00 0.00 175.26 175.07 1ppx s TRP 104 N -3.12 1.62 0.14 1.61 0.51 -1.26 -3.41 118.94 115.03 1ppx s TRP 104 Ca -0.01 0.77 0.11 0.00 -2.12 0.00 0.00 56.10 54.85 1ppx s TRP 104 Cb 0.01 -4.03 -0.04 0.00 -0.81 0.00 0.00 33.47 28.60 1ppx s TRP 104 CO -0.07 -2.87 -0.26 0.00 -0.51 0.00 0.00 176.95 173.25 1ppx s MET 105 N 6.38 1.41 -0.24 4.98 0.23 -0.08 -4.89 119.30 127.08 1ppx s MET 105 Ca 0.81 -1.38 -0.29 0.00 -1.03 0.00 0.00 55.69 53.80 1ppx s MET 105 Cb -0.20 -1.85 -0.02 0.00 -1.53 0.00 0.00 34.83 31.22 1ppx s MET 105 CO 0.30 0.43 1.57 -1.54 -2.03 0.00 0.00 175.02 173.75 1ppx s SER 106 N -2.19 6.40 0.58 -1.18 1.04 -1.26 0.12 113.70 117.21 1ppx s SER 106 Ca 0.15 1.53 0.35 0.00 0.48 0.00 0.00 55.95 58.47 1ppx s SER 106 Cb -0.09 -2.53 1.75 0.00 0.10 0.00 0.00 66.02 65.24 1ppx s SER 106 CO 0.07 -1.25 2.14 0.25 0.98 0.00 0.00 173.24 175.43 1ppx h LEU 107 N 11.66 0.00 -1.97 2.42 6.46 -1.86 -2.49 115.31 129.53 1ppx h LEU 107 Ca -0.32 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1ppx h LEU 107 Cb 1.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1ppx h LEU 107 CO 1.01 0.04 0.14 1.62 -0.62 0.00 0.00 178.44 180.63 1ppx h VAL 108 N 0.00 0.00 -0.64 1.05 3.04 -1.89 -0.94 116.25 116.87 1ppx h VAL 108 Ca -0.00 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.27 1ppx h VAL 108 Cb 0.29 0.66 -0.25 0.00 -2.01 0.00 0.00 31.29 29.97 1ppx h VAL 108 CO 0.01 0.00 -0.05 0.61 -1.01 0.00 0.00 177.57 177.13 1ppx n GLY 109 N -1.21 5.53 3.69 3.17 0.00 -0.94 -5.02 105.19 110.43 1ppx n GLY 109 Ca -0.02 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1ppx n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ppx s LEU 110 N -3.48 4.38 -0.02 0.99 2.96 -0.36 -4.99 118.68 118.16 1ppx s LEU 110 Ca 0.52 2.64 0.07 0.00 -0.22 0.00 0.00 54.13 57.13 1ppx s LEU 110 Cb 0.44 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1ppx s LEU 110 CO 0.01 -0.94 -0.22 0.20 -1.32 0.00 0.00 176.35 174.08 1ppx s ASN 111 N 2.41 2.60 0.30 3.68 0.01 -1.26 -4.67 114.94 118.02 1ppx s ASN 111 Ca 0.77 -0.40 0.26 0.00 -0.71 0.00 0.00 52.86 52.77 1ppx s ASN 111 Cb -0.43 -0.34 0.99 0.00 0.41 0.00 0.00 41.25 41.88 1ppx s ASN 111 CO 0.34 0.26 1.76 0.00 -1.51 0.00 0.00 177.10 177.96 1ppx h ALA 112 N 5.65 1.00 0.03 0.60 0.00 -1.92 -2.82 119.26 121.80 1ppx h ALA 112 Ca -0.39 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1ppx h ALA 112 Cb 1.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ppx h ALA 112 CO 0.48 0.00 -0.20 0.22 0.00 0.00 0.00 179.25 179.75 1ppx h ASP 113 N 0.00 0.13 -0.56 0.00 3.58 -1.95 -3.36 116.42 114.26 1ppx h ASP 113 Ca 0.00 -0.94 -0.10 0.00 0.42 0.00 0.00 57.03 56.41 1ppx h ASP 113 Cb 0.49 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1ppx h ASP 113 CO 0.00 1.05 -0.06 0.44 -2.88 0.00 0.00 179.24 177.79 1ppx h ASP 114 N -0.78 1.02 -4.25 2.28 3.32 -1.82 -3.43 116.42 112.77 1ppx h ASP 114 Ca -0.03 -0.33 -0.45 0.00 0.02 0.00 0.00 57.03 56.23 1ppx h ASP 114 Cb 1.11 -0.28 0.14 0.00 0.22 0.00 0.00 39.33 40.52 1ppx h ASP 114 CO 0.04 1.11 0.39 0.72 -1.72 0.00 0.00 179.24 179.78 1ppx s PHE 115 N -4.92 2.14 0.05 4.55 -0.71 -1.07 -0.40 117.98 117.62 1ppx s PHE 115 Ca -0.12 0.54 -0.30 0.00 -1.04 0.00 0.00 56.93 56.01 1ppx s PHE 115 Cb 0.13 -3.78 -0.05 0.00 -1.21 0.00 0.00 43.02 38.11 1ppx s PHE 115 CO 0.86 -2.36 1.12 -1.25 -1.34 0.00 0.00 175.22 172.25 1ppx s PRO 116 N -5.69 4.48 0.30 1.99 0.04 -0.78 -4.36 135.00 130.99 1ppx s PRO 116 Ca 0.68 1.65 0.18 0.00 0.04 0.00 0.00 61.00 63.55 1ppx s PRO 116 Cb -0.08 -3.38 0.98 0.00 0.04 0.00 0.00 34.50 32.06 1ppx s PRO 116 CO 0.52 -0.17 1.52 -0.35 0.04 0.00 0.00 177.00 178.55 1ppx n PRO 117 N 3.85 0.12 0.02 0.56 -0.04 -1.26 -2.34 135.00 135.90 1ppx n PRO 117 Ca 0.08 0.61 0.03 0.00 -0.04 0.00 0.00 63.50 64.18 1ppx n PRO 117 Cb 0.48 -1.97 0.14 0.00 -0.04 0.00 0.00 33.50 32.11 1ppx n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ppx n ALA 118 N -1.70 1.19 -2.62 0.55 0.00 -1.26 -2.71 120.51 113.95 1ppx n ALA 118 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1ppx n ALA 118 Cb 0.11 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.59 2.33 -0.03 0.00 3.02 -0.99 -4.91 115.26 113.09 1ppx n ASN 119 Ca 0.01 -2.73 -0.14 0.00 -0.03 0.00 0.00 54.58 51.69 1ppx n ASN 119 Cb 0.05 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.63 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 2.72 0.05 -1.17 3.52 4.22 -1.72 -2.96 114.58 119.24 1ppx h GLU 120 Ca -0.01 -0.04 0.36 0.00 0.08 0.00 0.00 59.36 59.75 1ppx h GLU 120 Cb 1.22 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1ppx h GLU 120 CO 0.47 0.69 0.74 -1.35 -2.18 0.00 0.00 179.01 177.38 1ppx h PRO 121 N -0.58 0.22 0.01 0.92 0.11 -1.91 1.33 132.00 132.11 1ppx h PRO 121 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ppx h PRO 121 Cb 0.70 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1ppx h PRO 121 CO 0.01 0.14 -0.01 0.28 -0.21 0.00 0.00 178.00 178.22 1ppx h VAL 122 N 0.23 1.51 -0.14 3.15 2.07 -1.97 -3.32 116.25 117.78 1ppx h VAL 122 Ca 0.73 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1ppx h VAL 122 Cb 2.06 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 34.57 1ppx h VAL 122 CO -0.41 0.47 -0.19 0.40 0.02 0.00 0.00 177.57 177.86 1ppx h ILE 123 N -0.89 1.21 -0.41 4.57 1.08 -0.96 -2.30 117.51 119.80 1ppx h ILE 123 Ca -0.00 -0.95 0.12 0.00 -0.39 0.00 0.00 64.86 63.64 1ppx h ILE 123 Cb 0.79 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1ppx h ILE 123 CO 0.00 0.29 0.35 0.00 -0.69 0.00 0.00 178.15 178.10 1ppx h ALA 124 N 1.59 2.23 0.04 1.87 0.00 0.16 1.65 119.26 126.80 1ppx h ALA 124 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ppx h ALA 124 Cb 0.47 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ppx h ALA 124 CO 0.03 -0.56 -0.22 -0.22 0.00 0.00 0.00 179.25 178.27 1ppx h LYS 125 N 0.00 0.08 0.00 0.00 3.11 -1.52 -3.32 116.57 114.93 1ppx h LYS 125 Ca 0.20 -0.14 -0.17 0.00 -2.81 0.00 0.00 60.65 57.73 1ppx h LYS 125 Cb 0.89 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.15 1ppx h LYS 125 CO -0.00 1.07 -0.80 1.25 -2.81 0.00 0.00 179.45 178.15 1ppx h LEU 126 N -0.82 0.00 -0.80 5.20 7.12 -1.34 -3.28 115.31 121.39 1ppx h LEU 126 Ca -0.04 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.06 1ppx h LEU 126 Cb 1.18 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.24 1ppx h LEU 126 CO 0.04 0.80 0.46 0.50 -0.13 0.00 0.00 178.44 180.11 1ppx h LYS 127 N 0.00 0.76 0.00 1.25 3.64 0.23 0.70 116.57 123.14 1ppx h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ppx h LYS 127 Cb 1.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1ppx h LYS 127 CO 0.10 0.50 0.00 -2.13 -2.27 0.00 0.00 179.45 175.66 1ppx n ARG 128 N -4.75 0.11 -0.23 1.90 0.63 -1.24 -4.94 116.66 108.15 1ppx n ARG 128 Ca 0.13 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1ppx n ARG 128 Cb 0.26 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40