#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls h GLU 2 N 0.00 -0.57 -0.06 0.03 3.07 -2.11 -3.30 114.58 111.64 1pls h GLU 2 Ca 0.00 0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1pls h GLU 2 Cb 0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1pls h GLU 2 CO 0.00 -0.38 -0.59 -1.00 -1.40 0.00 0.00 179.01 175.64 1pls h PRO 3 N -0.97 0.20 -4.65 2.33 0.13 -2.09 -3.49 132.00 123.47 1pls h PRO 3 Ca -0.06 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1pls h PRO 3 Cb 0.46 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1pls h PRO 3 CO 0.10 0.73 -1.00 1.63 -0.23 0.00 0.00 178.00 179.24 1pls n LYS 4 N -3.88 -5.50 -3.37 0.86 5.02 -1.24 -4.93 118.16 105.13 1pls n LYS 4 Ca -0.02 3.93 -0.38 0.00 -2.02 0.00 0.00 58.31 59.82 1pls n LYS 4 Cb 0.60 -4.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.90 1pls n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pls s ARG 5 N -0.58 4.10 0.05 1.97 3.00 -1.26 -4.78 118.95 121.45 1pls s ARG 5 Ca 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 55.73 56.09 1pls s ARG 5 Cb 0.00 -3.25 -0.15 0.00 0.00 0.00 0.00 34.95 31.55 1pls s ARG 5 CO 0.00 0.62 1.54 0.82 0.00 0.00 0.00 175.30 178.27 1pls h ILE 6 N 3.72 1.19 -4.06 1.52 5.03 -1.88 -3.44 117.51 119.60 1pls h ILE 6 Ca -0.50 -0.58 -0.69 0.00 -0.12 0.00 0.00 64.86 62.97 1pls h ILE 6 Cb 1.21 1.45 -0.23 0.00 -3.03 0.00 0.00 36.82 36.22 1pls h ILE 6 CO 0.64 0.16 -0.86 -0.60 -0.68 0.00 0.00 178.15 176.81 1pls s ARG 7 N -5.28 1.68 -0.30 2.37 6.06 -0.97 -5.01 118.95 117.50 1pls s ARG 7 Ca -0.14 -1.20 -0.13 0.00 -2.50 0.00 0.00 55.73 51.77 1pls s ARG 7 Cb 0.05 -1.99 0.13 0.00 0.06 0.00 0.00 34.95 33.21 1pls s ARG 7 CO 0.68 0.49 0.78 -1.83 -2.50 0.00 0.00 175.30 172.92 1pls s GLU 8 N -1.67 0.50 0.00 5.12 1.03 -1.26 -1.37 118.70 121.06 1pls s GLU 8 Ca 0.14 1.16 0.00 0.00 0.03 0.00 0.00 54.97 56.29 1pls s GLU 8 Cb -0.10 0.59 0.00 0.00 -0.80 0.00 0.00 34.13 33.82 1pls s GLU 8 CO 0.05 -0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.23 1pls n GLY 9 N 5.01 3.25 2.60 -3.83 0.00 -0.78 -4.99 105.19 106.44 1pls n GLY 9 Ca -0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1pls n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pls s TYR 10 N -0.52 1.21 0.27 1.61 1.13 -1.26 -1.78 117.35 118.01 1pls s TYR 10 Ca 0.00 -1.76 0.07 0.00 -1.41 0.00 0.00 57.07 53.97 1pls s TYR 10 Cb 0.00 -1.34 -0.03 0.00 -1.10 0.00 0.00 41.96 39.49 1pls s TYR 10 CO 0.00 -0.83 0.24 -0.51 -2.51 0.00 0.00 175.55 171.95 1pls s LEU 11 N 1.12 3.82 0.14 -3.49 1.02 0.94 -4.51 118.68 117.72 1pls s LEU 11 Ca 0.15 -0.27 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 1pls s LEU 11 Cb -0.21 -2.38 -0.06 0.00 0.02 0.00 0.00 46.19 43.56 1pls s LEU 11 CO -0.10 -0.12 0.47 0.54 0.02 0.00 0.00 176.35 177.16 1pls s VAL 12 N -2.16 5.01 0.05 -1.59 0.11 -0.43 0.51 120.40 121.90 1pls s VAL 12 Ca 0.35 0.49 0.03 0.00 -2.93 0.00 0.00 61.98 59.92 1pls s VAL 12 Cb -0.08 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1pls s VAL 12 CO 0.26 0.16 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.35 1pls s LYS 13 N -2.23 0.60 0.37 1.54 2.20 -0.79 -0.82 119.74 120.61 1pls s LYS 13 Ca 0.39 -0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 54.90 1pls s LYS 13 Cb -0.13 -0.42 -0.10 0.00 -1.51 0.00 0.00 37.83 35.67 1pls s LYS 13 CO 0.20 0.08 1.43 0.21 -0.36 0.00 0.00 175.35 176.91 1pls s LYS 14 N -1.66 4.12 0.22 4.03 2.20 -0.88 -3.48 119.74 124.30 1pls s LYS 14 Ca -0.08 2.47 0.03 0.00 -0.36 0.00 0.00 55.97 58.03 1pls s LYS 14 Cb -0.10 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1pls s LYS 14 CO 0.01 -0.48 0.36 0.20 -0.36 0.00 0.00 175.35 175.08 1pls s GLY 15 N -0.27 1.42 -0.94 5.54 0.00 -1.17 -4.99 107.32 106.92 1pls s GLY 15 Ca 0.53 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1pls s GLY 15 CO 0.60 -1.09 2.47 1.44 0.00 0.00 0.00 173.10 176.52 1pls n SER 16 N -1.14 7.36 0.00 1.64 7.64 -1.26 -4.40 113.62 123.46 1pls n SER 16 Ca -0.07 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1pls n SER 16 Cb 0.56 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1pls n VAL 17 N 1.13 0.00 -2.87 0.44 0.24 -1.26 -5.00 118.33 111.01 1pls n VAL 17 Ca 0.56 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.66 1pls n VAL 17 Cb 0.36 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.72 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pls n PHE 18 N 0.00 1.89 -2.76 6.34 3.01 -1.26 -5.00 117.46 119.68 1pls n PHE 18 Ca 0.00 -3.46 -0.04 0.00 1.01 0.00 0.00 57.45 54.96 1pls n PHE 18 Cb 0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 1pls n PHE 18 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1pls n ASN 19 N -0.07 -7.93 -3.92 4.37 2.85 -1.26 -5.05 115.26 104.25 1pls n ASN 19 Ca 0.25 1.00 -0.17 0.00 -0.11 0.00 0.00 54.58 55.55 1pls n ASN 19 Cb 0.64 -5.32 -0.09 0.00 1.24 0.00 0.00 39.78 36.25 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1pls s THR 20 N -2.08 0.16 -0.29 -0.44 -4.23 -1.26 -5.02 115.64 102.48 1pls s THR 20 Ca 0.12 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1pls s THR 20 Cb -0.03 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.45 1pls s THR 20 CO 0.77 0.00 0.36 0.26 -0.54 0.00 0.00 174.62 175.47 1pls s TRP 21 N -3.75 -0.79 0.05 3.99 0.52 -1.26 -3.04 118.94 114.66 1pls s TRP 21 Ca 0.38 0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.74 1pls s TRP 21 Cb 0.05 -0.26 -0.03 0.00 -1.15 0.00 0.00 33.47 32.08 1pls s TRP 21 CO 0.18 -0.95 -0.22 0.15 0.02 0.00 0.00 176.95 176.13 1pls s LYS 22 N 2.47 1.50 1.06 4.98 1.02 -1.23 -4.90 119.74 124.65 1pls s LYS 22 Ca 0.10 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 1pls s LYS 22 Cb -0.13 -1.64 0.10 0.00 -0.52 0.00 0.00 37.83 35.63 1pls s LYS 22 CO -0.30 0.42 0.26 -2.30 -0.92 0.00 0.00 175.35 172.50 1pls n PRO 23 N 1.78 -1.19 -3.65 -1.68 -0.02 -1.26 -1.89 135.00 127.08 1pls n PRO 23 Ca -0.17 -0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1pls n PRO 23 Cb 0.53 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls s MET 24 N -3.62 0.59 0.09 -0.52 0.23 0.18 -4.68 119.30 111.56 1pls s MET 24 Ca 0.58 -0.32 -0.18 0.00 -1.03 0.00 0.00 55.69 54.74 1pls s MET 24 Cb -0.16 0.20 -0.07 0.00 -1.53 0.00 0.00 34.83 33.27 1pls s MET 24 CO 0.66 -0.27 0.55 -0.46 -2.03 0.00 0.00 175.02 173.48 1pls s TRP 25 N -2.64 3.75 -0.17 3.16 -0.11 0.70 -0.04 118.94 123.58 1pls s TRP 25 Ca 0.13 1.20 -0.09 0.00 1.22 0.00 0.00 56.10 58.56 1pls s TRP 25 Cb 0.03 -2.45 0.06 0.00 -1.50 0.00 0.00 33.47 29.61 1pls s TRP 25 CO -0.03 0.55 0.41 0.54 -4.62 0.00 0.00 176.95 173.80 1pls s VAL 26 N -1.21 -0.05 -0.22 5.86 0.11 -0.73 0.32 120.40 124.48 1pls s VAL 26 Ca 0.31 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.47 1pls s VAL 26 Cb -0.18 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1pls s VAL 26 CO 0.19 0.04 -0.07 0.68 -3.33 0.00 0.00 175.10 172.60 1pls s VAL 27 N 1.45 1.55 -0.38 2.04 -7.23 -0.97 -1.87 120.40 114.98 1pls s VAL 27 Ca -0.09 -1.11 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1pls s VAL 27 Cb -0.09 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1pls s VAL 27 CO -0.13 0.01 0.82 -1.48 -0.31 0.00 0.00 175.10 174.02 1pls s LEU 28 N 1.41 4.10 0.33 1.32 0.05 -0.47 -2.33 118.68 123.10 1pls s LEU 28 Ca -0.04 0.35 -0.02 0.00 0.05 0.00 0.00 54.13 54.47 1pls s LEU 28 Cb -0.18 -3.08 -0.04 0.00 -2.05 0.00 0.00 46.19 40.84 1pls s LEU 28 CO -0.07 -0.80 0.57 -0.76 -0.55 0.00 0.00 176.35 174.74 1pls s LEU 29 N 3.24 4.00 0.50 1.48 1.02 0.15 -2.30 118.68 126.77 1pls s LEU 29 Ca 0.33 0.60 0.29 0.00 0.02 0.00 0.00 54.13 55.37 1pls s LEU 29 Cb -0.13 -3.45 1.11 0.00 0.02 0.00 0.00 46.19 43.74 1pls s LEU 29 CO 0.18 -0.28 1.89 -0.33 0.02 0.00 0.00 176.35 177.84 1pls h GLU 30 N 1.10 0.00 -0.53 1.70 4.39 -1.95 -2.59 114.58 116.70 1pls h GLU 30 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1pls h GLU 30 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1pls h GLU 30 CO 0.63 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.17 1pls n ASP 31 N -3.20 4.02 0.00 1.42 5.75 -1.26 -4.77 116.55 118.52 1pls n ASP 31 Ca 0.01 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1pls n ASP 31 Cb 0.37 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pls n GLY 32 N 0.85 -1.02 3.20 6.12 0.00 -0.98 -4.23 105.19 109.13 1pls n GLY 32 Ca 0.21 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1pls n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pls s ILE 33 N -2.89 -0.03 -0.06 -0.61 1.09 0.13 0.29 121.20 119.13 1pls s ILE 33 Ca 0.00 0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1pls s ILE 33 Cb 0.00 -0.52 0.04 0.00 -1.06 0.00 0.00 42.46 40.92 1pls s ILE 33 CO 0.00 0.04 0.11 -1.83 -0.10 0.00 0.00 174.94 173.16 1pls s GLU 34 N 1.16 -0.00 0.04 2.79 -1.05 -0.98 -0.44 118.70 120.22 1pls s GLU 34 Ca -0.08 0.44 0.09 0.00 -0.15 0.00 0.00 54.97 55.27 1pls s GLU 34 Cb -0.08 -0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.25 1pls s GLU 34 CO -0.09 -0.28 -0.25 -0.59 0.95 0.00 0.00 175.26 175.00 1pls s PHE 35 N 1.95 2.22 0.00 4.83 -0.12 -1.00 -2.29 117.98 123.57 1pls s PHE 35 Ca 0.00 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1pls s PHE 35 Cb -0.12 -1.33 0.00 0.00 -0.63 0.00 0.00 43.02 40.94 1pls s PHE 35 CO -0.05 0.12 0.00 0.66 -0.05 0.00 0.00 175.22 175.90 1pls n TYR 36 N 1.80 0.00 -0.11 3.49 4.02 0.15 -1.64 117.16 124.86 1pls n TYR 36 Ca -0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 1pls n TYR 36 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.57 -1.97 -0.72 4.81 -1.26 -0.22 118.16 119.37 1pls n LYS 37 Ca 0.00 0.50 -0.09 0.00 -0.87 0.00 0.00 58.31 57.85 1pls n LYS 37 Cb 0.00 -1.68 0.03 0.00 0.02 0.00 0.00 35.03 33.39 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pls n LYS 38 N -4.40 0.87 -0.20 1.64 4.01 -1.26 -1.14 118.16 117.68 1pls n LYS 38 Ca -0.37 -1.40 0.29 0.00 -0.51 0.00 0.00 58.31 56.33 1pls n LYS 38 Cb 0.72 -0.07 0.56 0.00 -0.51 0.00 0.00 35.03 35.73 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.93 -3.34 116.57 116.91 1pls h LYS 39 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pls h LYS 39 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1pls h LYS 39 CO 0.18 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.79 1pls n SER 40 N -3.46 0.00 0.00 4.20 7.64 -1.26 -4.89 113.62 115.84 1pls n SER 40 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1pls n SER 40 Cb 1.36 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1pls n SER 40 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pls n ASP 41 N -2.34 0.00 0.00 6.43 2.03 -1.25 -3.86 116.55 117.55 1pls n ASP 41 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pls n ASP 41 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pls n ASN 42 N 0.00 0.00 -4.18 1.67 3.02 -1.26 -4.88 115.26 109.63 1pls n ASN 42 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1pls n ASN 42 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1pls n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pls s SER 43 N 0.00 3.65 0.39 6.41 1.04 -1.25 -5.10 113.70 118.83 1pls s SER 43 Ca 0.00 -0.62 -0.25 0.00 0.48 0.00 0.00 55.95 55.56 1pls s SER 43 Cb 0.00 -1.58 -0.09 0.00 0.10 0.00 0.00 66.02 64.45 1pls s SER 43 CO 0.00 -0.03 1.06 -2.16 0.98 0.00 0.00 173.24 173.09 1pls s PRO 44 N 1.34 4.21 -0.06 4.02 0.04 -1.26 -4.65 135.00 138.65 1pls s PRO 44 Ca 0.04 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1pls s PRO 44 Cb -0.14 -2.62 -0.24 0.00 0.04 0.00 0.00 34.50 31.54 1pls s PRO 44 CO -0.09 -0.11 0.60 1.63 0.04 0.00 0.00 177.00 179.07 1pls n LYS 45 N 0.07 0.66 -3.68 4.56 4.76 -0.65 -4.94 118.16 118.94 1pls n LYS 45 Ca 0.04 0.29 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1pls n LYS 45 Cb 0.49 -1.78 -0.09 0.00 -1.84 0.00 0.00 35.03 31.82 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pls s GLY 46 N -5.22 -0.43 -0.12 0.72 0.00 -1.23 -5.06 107.32 95.98 1pls s GLY 46 Ca -0.09 1.64 -0.01 0.00 0.00 0.00 0.00 44.72 46.27 1pls s GLY 46 CO 0.81 1.48 -0.05 1.06 0.00 0.00 0.00 173.10 176.39 1pls s MET 47 N 0.51 1.32 -0.11 2.90 -1.94 -1.26 -2.36 119.30 118.36 1pls s MET 47 Ca -0.02 -0.26 -0.20 0.00 -1.71 0.00 0.00 55.69 53.50 1pls s MET 47 Cb -0.04 -1.60 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 1pls s MET 47 CO -0.02 -0.33 0.57 0.42 -0.01 0.00 0.00 175.02 175.65 1pls s ILE 48 N 1.74 5.12 0.45 2.53 1.09 0.41 -4.91 121.20 127.64 1pls s ILE 48 Ca 0.04 1.13 -0.23 0.00 -1.10 0.00 0.00 60.65 60.49 1pls s ILE 48 Cb -0.13 -3.90 -0.08 0.00 -1.06 0.00 0.00 42.46 37.29 1pls s ILE 48 CO -0.08 0.27 1.13 -2.16 -0.10 0.00 0.00 174.94 174.00 1pls s PRO 49 N 0.87 3.84 -0.19 2.79 0.04 -1.26 -0.69 135.00 140.40 1pls s PRO 49 Ca 0.30 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1pls s PRO 49 Cb -0.16 -2.40 0.20 0.00 0.04 0.00 0.00 34.50 32.17 1pls s PRO 49 CO 0.13 -0.46 1.66 -0.11 0.04 0.00 0.00 177.00 178.26 1pls n LEU 50 N -0.45 5.23 0.00 -3.56 -0.00 -1.26 -4.51 117.00 112.45 1pls n LEU 50 Ca 0.07 -2.64 0.00 0.00 -0.00 0.00 0.00 56.01 53.44 1pls n LEU 50 Cb 0.49 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1pls n LEU 50 CO 0.46 0.93 0.00 0.29 -0.00 0.00 0.00 177.39 179.07 1pls n LYS 51 N 0.28 0.00 -2.96 1.96 5.02 -1.26 -4.66 118.16 116.54 1pls n LYS 51 Ca 0.21 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1pls n LYS 51 Cb 0.74 -0.29 0.02 0.00 -0.02 0.00 0.00 35.03 35.48 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pls n GLY 52 N 2.62 1.91 2.29 0.72 0.00 -1.26 -4.21 105.19 107.26 1pls n GLY 52 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1pls n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 53 N 0.67 -2.31 -3.70 1.61 2.88 -1.26 -3.35 113.62 108.15 1pls n SER 53 Ca 0.15 -0.83 -0.25 0.00 -1.33 0.00 0.00 58.87 56.61 1pls n SER 53 Cb 0.65 -0.68 -0.17 0.00 -0.75 0.00 0.00 64.21 63.27 1pls n SER 53 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pls s THR 54 N -2.14 0.24 -0.28 2.46 -4.23 -0.28 -4.76 115.64 106.65 1pls s THR 54 Ca 0.47 -0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.58 1pls s THR 54 Cb -0.06 -0.69 -0.01 0.00 1.34 0.00 0.00 72.50 73.08 1pls s THR 54 CO 0.37 -0.08 0.69 -0.22 -0.54 0.00 0.00 174.62 174.84 1pls s LEU 55 N 2.00 4.09 -0.15 4.79 1.98 -1.26 0.28 118.68 130.41 1pls s LEU 55 Ca 0.02 0.66 -0.03 0.00 -2.89 0.00 0.00 54.13 51.89 1pls s LEU 55 Cb -0.15 -2.93 -0.02 0.00 0.66 0.00 0.00 46.19 43.74 1pls s LEU 55 CO -0.07 -0.47 -0.05 -0.89 -1.89 0.00 0.00 176.35 172.97 1pls s THR 56 N 2.67 3.74 -0.17 3.68 2.01 -0.20 -4.98 115.64 122.40 1pls s THR 56 Ca 0.28 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 1pls s THR 56 Cb -0.15 -2.63 0.08 0.00 0.01 0.00 0.00 72.50 69.81 1pls s THR 56 CO 0.10 0.50 0.37 -0.44 -0.69 0.00 0.00 174.62 174.45 1pls s SER 57 N 0.40 -0.11 1.02 3.53 0.01 -1.26 -2.28 113.70 115.00 1pls s SER 57 Ca -0.05 0.85 -0.02 0.00 1.31 0.00 0.00 55.95 58.04 1pls s SER 57 Cb -0.14 1.06 0.03 0.00 0.21 0.00 0.00 66.02 67.17 1pls s SER 57 CO 0.03 -0.23 0.10 -0.81 0.41 0.00 0.00 173.24 172.75 1pls n PRO 58 N 5.21 -0.99 0.00 12.44 -0.04 -1.26 -5.13 135.00 145.23 1pls n PRO 58 Ca -0.10 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1pls n PRO 58 Cb 0.50 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls n GLN 60 N 0.00 0.00 0.14 0.00 0.00 -1.26 -4.77 117.38 111.49 1pls n GLN 60 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.15 1pls n GLN 60 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 30.24 30.68 1pls n GLN 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1pls h ASP 61 N 0.00 0.00 0.05 1.69 3.32 -2.01 0.49 116.42 119.97 1pls h ASP 61 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1pls h ASP 61 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1pls h ASP 61 CO 0.00 0.00 -1.54 -0.26 -1.72 0.00 0.00 179.24 175.72 1pls h PHE 62 N 0.00 0.19 0.00 4.55 0.04 -1.95 -3.33 116.94 116.44 1pls h PHE 62 Ca 0.17 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1pls h PHE 62 Cb 1.79 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.93 1pls h PHE 62 CO 0.00 1.60 0.00 0.41 -0.60 0.00 0.00 178.31 179.72 1pls n GLY 63 N 1.64 -0.77 0.00 -1.45 0.00 0.13 -3.06 105.19 101.69 1pls n GLY 63 Ca -0.32 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1pls n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pls n LYS 64 N -0.93 0.05 -4.08 1.61 2.85 0.11 -4.21 118.16 113.55 1pls n LYS 64 Ca 0.16 0.19 -0.12 0.00 -1.05 0.00 0.00 58.31 57.48 1pls n LYS 64 Cb 0.07 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.90 1pls n LYS 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1pls s ARG 65 N -2.92 1.64 0.23 -1.58 0.52 -1.17 -5.11 118.95 110.55 1pls s ARG 65 Ca 0.10 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 1pls s ARG 65 Cb 0.11 0.42 0.00 0.00 0.52 0.00 0.00 34.95 36.00 1pls s ARG 65 CO 0.31 -0.66 0.00 -1.33 0.02 0.00 0.00 175.30 173.64 1pls n MET 66 N -0.44 -1.19 -2.70 3.54 2.81 -1.26 -3.88 117.12 113.99 1pls n MET 66 Ca 0.00 0.79 -0.42 0.00 -1.81 0.00 0.00 57.70 56.26 1pls n MET 66 Cb 0.63 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.69 1pls n MET 66 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1pls n PHE 67 N -2.07 2.53 -4.02 2.03 3.72 -1.26 -4.96 117.46 113.42 1pls n PHE 67 Ca 0.00 -2.60 -0.35 0.00 -0.05 0.00 0.00 57.45 54.45 1pls n PHE 67 Cb 0.27 -1.35 -0.12 0.00 -0.94 0.00 0.00 39.48 37.34 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pls s VAL 68 N -2.99 4.01 0.54 -4.37 0.11 -1.25 -2.39 120.40 114.07 1pls s VAL 68 Ca 0.37 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 1pls s VAL 68 Cb 0.12 -2.82 0.06 0.00 -1.53 0.00 0.00 36.38 32.22 1pls s VAL 68 CO -0.01 0.42 0.69 0.72 -3.33 0.00 0.00 175.10 173.58 1pls s PHE 69 N 1.07 1.69 -0.25 1.54 -0.71 -0.63 -4.29 117.98 116.39 1pls s PHE 69 Ca 0.02 -0.69 -0.04 0.00 -1.04 0.00 0.00 56.93 55.19 1pls s PHE 69 Cb -0.14 -2.19 0.09 0.00 -1.21 0.00 0.00 43.02 39.57 1pls s PHE 69 CO 0.02 -0.91 0.16 0.21 -1.34 0.00 0.00 175.22 173.35 1pls s LYS 70 N -4.54 0.18 0.59 1.99 2.20 -0.97 -2.49 119.74 116.70 1pls s LYS 70 Ca 0.56 -0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1pls s LYS 70 Cb -0.06 -1.26 0.03 0.00 -1.51 0.00 0.00 37.83 35.03 1pls s LYS 70 CO 0.35 -0.89 0.86 0.42 -0.36 0.00 0.00 175.35 175.73 1pls s ILE 71 N 2.18 2.94 -0.37 5.43 1.01 -0.93 -1.03 121.20 130.43 1pls s ILE 71 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1pls s ILE 71 Cb -0.16 -3.16 0.15 0.00 0.01 0.00 0.00 42.46 39.30 1pls s ILE 71 CO -0.26 -0.14 0.30 -0.89 0.00 0.00 0.00 174.94 173.95 1pls s THR 72 N -2.93 -0.06 0.55 2.92 2.01 0.14 -1.40 115.64 116.87 1pls s THR 72 Ca 0.56 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 1pls s THR 72 Cb -0.10 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.37 1pls s THR 72 CO 0.42 -0.83 0.22 0.35 -0.69 0.00 0.00 174.62 174.09 1pls n THR 73 N 3.96 1.22 -1.48 -0.82 -2.24 -1.13 -1.13 114.28 112.67 1pls n THR 73 Ca 0.14 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1pls n THR 73 Cb 0.42 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.16 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pls n THR 74 N -1.64 0.00 0.00 4.28 5.66 -1.21 -2.69 114.28 118.68 1pls n THR 74 Ca 0.10 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1pls n THR 74 Cb 0.47 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1pls n THR 74 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pls n LYS 75 N 7.18 0.00 0.00 1.09 4.76 -1.26 -4.96 118.16 124.97 1pls n LYS 75 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1pls n LYS 75 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 1pls n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls n GLN 76 N 0.00 0.00 -3.36 1.97 10.64 -1.09 -5.08 117.38 120.45 1pls n GLN 76 Ca 0.00 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 54.72 1pls n GLN 76 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1pls s GLN 77 N 0.00 3.85 0.30 2.61 -1.52 -1.25 -4.93 119.66 118.72 1pls s GLN 77 Ca 0.00 -2.87 -0.29 0.00 -1.95 0.00 0.00 55.36 50.25 1pls s GLN 77 Cb 0.00 -4.45 -0.10 0.00 -0.22 0.00 0.00 33.01 28.24 1pls s GLN 77 CO 0.00 -1.26 1.37 0.16 -0.25 0.00 0.00 175.29 175.31 1pls s ASP 78 N 1.60 6.70 -0.31 5.90 1.47 -1.26 -2.84 116.67 127.93 1pls s ASP 78 Ca 0.25 2.70 -0.01 0.00 1.18 0.00 0.00 52.55 56.67 1pls s ASP 78 Cb -0.10 -2.64 0.10 0.00 -0.34 0.00 0.00 42.92 39.94 1pls s ASP 78 CO -0.08 -0.62 0.10 -1.00 0.68 0.00 0.00 175.17 174.25 1pls s HIS 79 N -0.69 1.66 -0.21 2.11 3.76 -0.49 -4.93 115.29 116.50 1pls s HIS 79 Ca 0.53 -1.73 -0.16 0.00 -0.15 0.00 0.00 55.06 53.56 1pls s HIS 79 Cb -0.41 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1pls s HIS 79 CO 0.50 -0.87 0.40 -0.06 -0.85 0.00 0.00 174.74 173.85 1pls s PHE 80 N 1.59 3.35 -0.10 1.40 0.08 -1.26 -2.19 117.98 120.85 1pls s PHE 80 Ca 0.10 0.58 -0.14 0.00 0.12 0.00 0.00 56.93 57.59 1pls s PHE 80 Cb -0.17 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.77 1pls s PHE 80 CO -0.25 -0.05 0.36 -0.59 -0.10 0.00 0.00 175.22 174.59 1pls s PHE 81 N 1.46 -0.35 -0.11 0.36 -0.12 -1.04 -2.07 117.98 116.11 1pls s PHE 81 Ca 0.18 0.79 -0.02 0.00 -0.05 0.00 0.00 56.93 57.83 1pls s PHE 81 Cb -0.15 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1pls s PHE 81 CO 0.08 -0.25 -0.02 -1.14 -0.05 0.00 0.00 175.22 173.83 1pls s GLN 82 N -0.24 3.19 0.00 1.99 0.74 0.00 -1.61 119.66 123.73 1pls s GLN 82 Ca -0.04 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1pls s GLN 82 Cb -0.03 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.27 1pls s GLN 82 CO 0.02 0.53 0.00 0.00 -0.55 0.00 0.00 175.29 175.29 1pls n ALA 83 N 2.65 0.00 -1.00 1.58 0.00 -1.00 -1.31 120.51 121.43 1pls n ALA 83 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pls n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1pls n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pls n ALA 84 N -3.00 0.00 -2.24 0.00 0.00 -1.26 -4.80 120.51 109.21 1pls n ALA 84 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1pls n ALA 84 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pls n ALA 84 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pls s PHE 85 N 0.00 1.66 0.59 0.00 0.08 -1.26 -4.83 117.98 114.22 1pls s PHE 85 Ca 0.00 -0.76 0.29 0.00 0.12 0.00 0.00 56.93 56.58 1pls s PHE 85 Cb 0.00 -2.05 1.77 0.00 -0.57 0.00 0.00 43.02 42.17 1pls s PHE 85 CO 0.00 -0.68 2.21 1.25 -0.10 0.00 0.00 175.22 177.90 1pls h LEU 86 N 0.57 0.00 0.44 -0.37 5.85 -1.95 -0.17 115.31 119.68 1pls h LEU 86 Ca -0.35 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1pls h LEU 86 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pls h LEU 86 CO 0.51 0.00 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.32 1pls h GLU 87 N 0.00 -0.56 -0.01 1.25 4.57 -1.99 -1.81 114.58 116.02 1pls h GLU 87 Ca 0.02 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1pls h GLU 87 Cb 0.14 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1pls h GLU 87 CO -0.00 -0.38 0.01 1.49 -1.18 0.00 0.00 179.01 178.95 1pls h GLU 88 N -0.78 0.00 0.21 1.92 4.57 -1.88 -1.56 114.58 117.06 1pls h GLU 88 Ca -0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1pls h GLU 88 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1pls h GLU 88 CO 0.10 0.00 -0.10 -0.09 -1.18 0.00 0.00 179.01 177.74 1pls h ARG 89 N 0.00 -0.27 0.00 1.92 2.43 -0.81 -0.18 114.38 117.48 1pls h ARG 89 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pls h ARG 89 Cb 0.03 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1pls h ARG 89 CO -0.00 -0.18 0.00 -3.47 -1.51 0.00 0.00 179.97 174.81 1pls n ASP 90 N -2.91 0.55 0.09 -3.80 -0.08 -0.70 -0.60 116.55 109.10 1pls n ASP 90 Ca -0.03 0.75 -0.13 0.00 -1.51 0.00 0.00 54.79 53.86 1pls n ASP 90 Cb 0.11 -0.82 -0.11 0.00 2.34 0.00 0.00 41.12 42.64 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pls h ALA 91 N 2.02 0.22 0.06 -1.67 0.00 -0.97 -2.24 119.26 116.67 1pls h ALA 91 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 54.91 53.82 1pls h ALA 91 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pls h ALA 91 CO 0.00 1.01 -1.08 -1.49 0.00 0.00 0.00 179.25 177.68 1pls h TRP 92 N 0.07 0.32 -0.09 0.00 4.06 0.10 -2.37 115.95 118.05 1pls h TRP 92 Ca -0.09 -0.22 -0.16 0.00 2.06 0.00 0.00 58.89 60.48 1pls h TRP 92 Cb 1.84 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.97 1pls h TRP 92 CO 0.05 1.13 -0.62 -0.39 -3.56 0.00 0.00 178.44 175.05 1pls h VAL 93 N 0.07 1.37 0.00 1.49 -1.51 -1.31 -1.91 116.25 114.46 1pls h VAL 93 Ca -0.08 -1.99 -0.06 0.00 -1.23 0.00 0.00 66.70 63.34 1pls h VAL 93 Cb 1.80 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.94 1pls h VAL 93 CO 0.17 0.59 -0.52 0.08 -1.23 0.00 0.00 177.57 176.66 1pls h ARG 94 N 0.24 0.00 0.00 5.19 0.11 -1.44 -2.42 114.38 116.07 1pls h ARG 94 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pls h ARG 94 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1pls h ARG 94 CO 0.10 0.24 -0.00 0.22 0.10 0.00 0.00 179.97 180.63 1pls h ASP 95 N 0.00 0.00 -0.38 0.08 1.82 -1.31 -0.92 116.42 115.71 1pls h ASP 95 Ca -0.02 -1.00 -0.12 0.00 -0.39 0.00 0.00 57.03 55.50 1pls h ASP 95 Cb 1.23 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1pls h ASP 95 CO 0.03 1.00 -0.24 0.40 -1.61 0.00 0.00 179.24 178.82 1pls h ILE 96 N -1.00 1.28 0.00 2.25 2.04 -1.48 -1.81 117.51 118.80 1pls h ILE 96 Ca -0.00 -1.39 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 1pls h ILE 96 Cb 1.00 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1pls h ILE 96 CO 0.00 0.46 -0.60 -1.13 0.00 0.00 0.00 178.15 176.88 1pls h ASN 97 N 0.63 0.00 -0.19 1.72 -0.00 -1.56 -2.53 115.58 113.65 1pls h ASN 97 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.28 1pls h ASN 97 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.13 1pls h ASN 97 CO 0.07 0.60 -0.27 0.50 -0.00 0.00 0.00 177.43 178.33 1pls h LYS 98 N 0.00 0.51 -0.44 6.67 3.64 -0.99 -1.15 116.57 124.80 1pls h LYS 98 Ca -0.01 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1pls h LYS 98 Cb 1.08 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1pls h LYS 98 CO 0.08 0.90 0.14 0.00 -2.27 0.00 0.00 179.45 178.30 1pls h ALA 99 N 0.61 0.58 -0.42 5.00 0.00 -1.30 -0.50 119.26 123.22 1pls h ALA 99 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1pls h ALA 99 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1pls h ALA 99 CO 0.06 0.23 -0.02 0.82 0.00 0.00 0.00 179.25 180.35 1pls h ILE 100 N 0.58 1.23 0.00 0.00 2.04 -1.45 -0.04 117.51 119.88 1pls h ILE 100 Ca 0.14 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1pls h ILE 100 Cb 0.26 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1pls h ILE 100 CO -0.00 0.33 0.00 1.17 0.00 0.00 0.00 178.15 179.65 1pls n LYS 101 N -4.23 0.13 -0.02 2.37 4.81 -0.44 -2.52 118.16 118.27 1pls n LYS 101 Ca 0.02 0.21 -0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1pls n LYS 101 Cb 0.29 -1.69 -0.13 0.00 0.02 0.00 0.00 35.03 33.53 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pls h ILE 103 N 0.00 0.82 0.00 0.00 1.08 -0.91 -3.06 117.51 115.43 1pls h ILE 103 Ca -0.25 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 1pls h ILE 103 Cb 1.68 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.80 1pls h ILE 103 CO 0.03 0.47 0.00 -0.62 -0.69 0.00 0.00 178.15 177.34 1pls n GLU 104 N -3.17 0.14 0.00 2.37 1.02 -1.05 -2.00 120.64 117.95 1pls n GLU 104 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1pls n GLU 104 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pls n GLY 105 N -0.13 1.21 2.78 0.62 0.00 -1.19 -4.80 105.19 103.68 1pls n GLY 105 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1pls n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pls n LEU 106 N -0.33 6.00 -0.91 0.99 7.99 -0.84 -4.50 117.00 125.40 1pls n LEU 106 Ca 0.00 -5.52 -0.02 0.00 -0.01 0.00 0.00 56.01 50.46 1pls n LEU 106 Cb 0.29 -0.89 -0.02 0.00 -0.11 0.00 0.00 43.42 42.69 1pls n LEU 106 CO 0.00 2.18 0.25 -0.62 -1.51 0.00 0.00 177.39 177.69 1pls n GLU 107 N -0.11 0.00 -2.59 3.23 1.02 -1.26 -4.99 120.64 115.94 1pls n GLU 107 Ca 0.39 -0.96 -0.04 0.00 -0.02 0.00 0.00 57.16 56.52 1pls n GLU 107 Cb 0.32 0.12 0.02 0.00 -0.02 0.00 0.00 31.44 31.88 1pls n GLU 107 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1pls n HIS 108 N 0.11 -0.52 -3.54 -0.32 -0.00 -1.26 -5.02 115.22 104.67 1pls n HIS 108 Ca -0.09 0.19 -0.28 0.00 -0.00 0.00 0.00 57.72 57.53 1pls n HIS 108 Cb 0.75 -2.00 -0.12 0.00 -0.00 0.00 0.00 29.99 28.62 1pls n HIS 108 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1pls s HIS 109 N -3.06 1.36 -0.10 1.57 4.02 -1.26 -5.10 115.29 112.72 1pls s HIS 109 Ca 0.08 -2.17 0.02 0.00 1.02 0.00 0.00 55.06 54.01 1pls s HIS 109 Cb -0.04 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.58 30.22 1pls s HIS 109 CO 0.14 -0.80 -0.16 -1.58 1.02 0.00 0.00 174.74 173.37 1pls s HIS 110 N 0.39 2.72 0.15 1.40 2.46 -1.26 -4.84 115.29 116.30 1pls s HIS 110 Ca 0.23 -0.53 0.02 0.00 0.47 0.00 0.00 55.06 55.25 1pls s HIS 110 Cb -0.14 -1.74 -0.01 0.00 -0.13 0.00 0.00 32.58 30.56 1pls s HIS 110 CO -0.07 -0.11 0.15 -2.39 -2.47 0.00 0.00 174.74 169.85 1pls n HIS 111 N 3.09 -0.49 -3.20 3.88 1.44 -1.26 -5.11 115.22 113.58 1pls n HIS 111 Ca -0.18 -1.17 -0.24 0.00 -2.01 0.00 0.00 57.72 54.13 1pls n HIS 111 Cb 0.52 0.16 -0.07 0.00 0.12 0.00 0.00 29.99 30.72 1pls n HIS 111 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1pls n HIS 112 N -0.27 -0.36 -1.90 -1.40 8.25 -1.26 -5.30 115.22 112.98 1pls n HIS 112 Ca 0.03 -3.55 0.00 0.00 -0.26 0.00 0.00 57.72 53.93 1pls n HIS 112 Cb 0.26 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56