#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 -0.90 0.00 0.03 3.07 -1.82 -3.36 114.58 111.60 1pls h GLU 2 Ca 0.00 0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1pls h GLU 2 Cb 0.00 0.20 0.06 0.00 -0.84 0.00 0.00 28.75 28.18 1pls h GLU 2 CO 0.00 -0.60 0.05 -0.35 -1.40 0.00 0.00 179.01 176.70 1pls n PRO 3 N -4.98 -1.55 -3.97 2.33 -0.04 -1.26 -4.25 135.00 121.28 1pls n PRO 3 Ca -0.11 -0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 62.41 1pls n PRO 3 Cb 0.40 -0.50 0.01 0.00 -0.04 0.00 0.00 33.50 33.38 1pls n PRO 3 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1pls n LYS 4 N -2.48 -0.75 -1.47 0.54 2.85 -1.26 -4.41 118.16 111.19 1pls n LYS 4 Ca 0.05 0.34 0.08 0.00 -1.05 0.00 0.00 58.31 57.72 1pls n LYS 4 Cb 0.18 -2.38 -0.04 0.00 -0.65 0.00 0.00 35.03 32.15 1pls n LYS 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pls n ARG 5 N -4.10 -3.43 0.28 -1.58 3.00 -1.26 -4.46 116.66 105.11 1pls n ARG 5 Ca -0.20 2.73 -0.15 0.00 -0.01 0.00 0.00 57.85 60.22 1pls n ARG 5 Cb 0.62 -3.68 -0.08 0.00 0.00 0.00 0.00 32.46 29.32 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1pls h ILE 6 N -0.59 0.38 -2.88 0.55 1.08 -0.65 -3.41 117.51 111.99 1pls h ILE 6 Ca -0.09 -0.31 -0.60 0.00 -0.39 0.00 0.00 64.86 63.47 1pls h ILE 6 Cb 1.06 0.49 -0.40 0.00 -3.07 0.00 0.00 36.82 34.91 1pls h ILE 6 CO 0.03 0.04 -0.77 -0.60 -0.69 0.00 0.00 178.15 176.17 1pls s ARG 7 N -5.12 1.03 -0.19 2.37 6.06 -1.02 -4.63 118.95 117.46 1pls s ARG 7 Ca -0.15 -1.74 -0.08 0.00 -2.50 0.00 0.00 55.73 51.26 1pls s ARG 7 Cb 0.02 -2.01 -0.04 0.00 0.06 0.00 0.00 34.95 32.98 1pls s ARG 7 CO 0.53 -1.16 0.07 -1.83 -2.50 0.00 0.00 175.30 170.41 1pls s GLU 8 N 0.65 3.98 0.00 5.12 4.04 -1.26 -1.71 118.70 129.52 1pls s GLU 8 Ca 0.17 -0.34 0.00 0.00 0.04 0.00 0.00 54.97 54.84 1pls s GLU 8 Cb -0.24 -3.26 0.00 0.00 0.02 0.00 0.00 34.13 30.65 1pls s GLU 8 CO -0.01 0.23 0.00 0.41 -1.84 0.00 0.00 175.26 174.05 1pls n GLY 9 N 3.68 3.44 2.56 -3.83 0.00 -0.58 -4.99 105.19 105.46 1pls n GLY 9 Ca -0.16 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.94 0.29 0.44 1.61 1.13 -1.26 -2.22 117.35 116.39 1pls s TYR 10 Ca 0.00 -0.97 0.07 0.00 -1.41 0.00 0.00 57.07 54.76 1pls s TYR 10 Cb 0.00 -0.82 -0.04 0.00 -1.10 0.00 0.00 41.96 40.00 1pls s TYR 10 CO 0.00 -0.85 0.18 -0.51 -2.51 0.00 0.00 175.55 171.87 1pls s LEU 11 N 1.86 2.99 -0.19 -3.49 2.01 -0.42 -4.71 118.68 116.72 1pls s LEU 11 Ca 0.12 -1.16 -0.08 0.00 0.01 0.00 0.00 54.13 53.01 1pls s LEU 11 Cb -0.17 -1.33 -0.04 0.00 0.01 0.00 0.00 46.19 44.65 1pls s LEU 11 CO -0.26 -0.63 0.09 0.54 1.01 0.00 0.00 176.35 177.10 1pls s VAL 12 N -2.65 5.01 0.36 -1.59 0.11 -1.06 0.42 120.40 121.01 1pls s VAL 12 Ca 0.37 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.56 1pls s VAL 12 Cb 0.03 -3.28 -0.07 0.00 -1.53 0.00 0.00 36.38 31.54 1pls s VAL 12 CO 0.21 0.44 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.60 1pls s LYS 13 N 0.44 1.86 -0.04 1.54 2.20 -0.96 -1.84 119.74 122.94 1pls s LYS 13 Ca 0.05 -1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 53.40 1pls s LYS 13 Cb -0.12 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1pls s LYS 13 CO -0.00 0.10 1.57 0.21 -0.36 0.00 0.00 175.35 176.86 1pls s LYS 14 N -3.64 4.21 0.00 4.03 2.20 -0.72 -3.02 119.74 122.80 1pls s LYS 14 Ca 0.33 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 1pls s LYS 14 Cb 0.04 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1pls s LYS 14 CO 0.17 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1pls n GLY 15 N 3.97 -2.26 0.00 5.54 0.00 -1.17 -4.89 105.19 106.38 1pls n GLY 15 Ca 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1pls n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 16 N -0.51 3.18 0.00 1.61 2.88 -1.26 -4.56 113.62 114.96 1pls n SER 16 Ca 0.00 -0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1pls n SER 16 Cb 0.00 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1pls n VAL 17 N -1.36 0.00 -2.64 2.46 0.24 -1.26 -4.38 118.33 111.40 1pls n VAL 17 Ca -0.00 0.33 -0.22 0.00 -2.04 0.00 0.00 64.34 62.41 1pls n VAL 17 Cb 0.02 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 2.69 -2.91 6.34 3.72 -1.26 -4.98 117.46 121.06 1pls n PHE 18 Ca 0.00 -3.20 -0.08 0.00 -0.05 0.00 0.00 57.45 54.12 1pls n PHE 18 Cb 0.00 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 38.31 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pls n ASN 19 N -0.29 -7.82 -1.02 4.37 4.13 -1.26 -5.05 115.26 108.32 1pls n ASN 19 Ca 0.29 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.97 1pls n ASN 19 Cb 0.67 -5.21 0.00 0.00 -1.54 0.00 0.00 39.78 33.70 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1pls n THR 20 N -0.50 0.00 -3.47 3.41 -2.24 -1.26 -4.96 114.28 105.26 1pls n THR 20 Ca 0.09 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.67 1pls n THR 20 Cb 0.48 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1pls n THR 20 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1pls s TRP 21 N -0.50 -0.22 0.02 4.78 0.52 -1.26 -3.02 118.94 119.26 1pls s TRP 21 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.03 1pls s TRP 21 Cb 0.00 -0.50 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 1pls s TRP 21 CO 0.00 -0.75 -0.10 0.15 0.02 0.00 0.00 176.95 176.26 1pls s LYS 22 N 2.29 0.75 1.06 4.98 1.02 -1.17 -4.95 119.74 123.73 1pls s LYS 22 Ca 0.08 -0.56 -0.17 0.00 0.02 0.00 0.00 55.97 55.34 1pls s LYS 22 Cb -0.15 -0.70 0.08 0.00 -0.52 0.00 0.00 37.83 36.54 1pls s LYS 22 CO -0.24 0.18 0.14 -2.30 -0.92 0.00 0.00 175.35 172.21 1pls n PRO 23 N 2.24 -1.17 -3.61 -1.68 -0.02 -1.26 -2.26 135.00 127.25 1pls n PRO 23 Ca -0.17 -0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 60.96 1pls n PRO 23 Cb 0.56 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 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 -3.51 0.22 0.13 -0.52 0.23 0.17 -4.68 119.30 111.33 1pls s MET 24 Ca 0.56 -0.08 -0.16 0.00 -1.03 0.00 0.00 55.69 54.99 1pls s MET 24 Cb -0.15 0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 33.18 1pls s MET 24 CO 0.67 -0.10 0.56 -0.46 -2.03 0.00 0.00 175.02 173.66 1pls s TRP 25 N -2.25 3.66 -0.02 3.16 -0.11 -0.22 -1.31 118.94 121.86 1pls s TRP 25 Ca 0.10 1.13 -0.16 0.00 1.22 0.00 0.00 56.10 58.39 1pls s TRP 25 Cb -0.01 -2.41 0.03 0.00 -1.50 0.00 0.00 33.47 29.57 1pls s TRP 25 CO -0.04 0.47 0.33 0.54 -4.62 0.00 0.00 176.95 173.63 1pls s VAL 26 N -1.38 0.05 -0.06 5.86 0.11 -0.94 0.15 120.40 124.19 1pls s VAL 26 Ca 0.36 -0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1pls s VAL 26 Cb -0.16 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1pls s VAL 26 CO 0.19 -0.24 0.03 0.68 -3.33 0.00 0.00 175.10 172.42 1pls s VAL 27 N -1.34 0.16 -0.56 2.04 -7.23 -0.74 -1.53 120.40 111.20 1pls s VAL 27 Ca -0.13 0.25 -0.25 0.00 -1.81 0.00 0.00 61.98 60.04 1pls s VAL 27 Cb -0.05 -0.37 0.04 0.00 0.56 0.00 0.00 36.38 36.56 1pls s VAL 27 CO 0.05 0.22 1.00 -0.76 -0.31 0.00 0.00 175.10 175.29 1pls s LEU 28 N 2.06 3.97 0.26 1.32 1.43 -0.69 -2.50 118.68 124.53 1pls s LEU 28 Ca 0.05 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1pls s LEU 28 Cb -0.12 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1pls s LEU 28 CO -0.04 -1.29 0.44 -0.76 0.23 0.00 0.00 176.35 174.92 1pls s LEU 29 N 4.17 4.18 0.39 1.79 1.02 0.61 -0.09 118.68 130.75 1pls s LEU 29 Ca 0.33 0.33 0.28 0.00 0.02 0.00 0.00 54.13 55.08 1pls s LEU 29 Cb -0.12 -3.13 1.02 0.00 0.02 0.00 0.00 46.19 43.98 1pls s LEU 29 CO 0.20 -0.14 1.81 -0.08 0.02 0.00 0.00 176.35 178.17 1pls h GLU 30 N 1.34 0.00 -0.41 1.70 4.22 -1.95 -2.60 114.58 116.88 1pls h GLU 30 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1pls h GLU 30 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pls h GLU 30 CO 0.64 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.07 1pls n ASP 31 N -2.69 3.40 0.00 1.04 5.75 -1.26 -4.74 116.55 118.04 1pls n ASP 31 Ca 0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1pls n ASP 31 Cb 0.33 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 1.37 -0.75 2.86 6.12 0.00 -0.98 -4.55 105.19 109.25 1pls n GLY 32 Ca 0.19 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.50 0.65 -0.08 -0.61 -1.09 -0.03 -0.28 121.20 117.26 1pls s ILE 33 Ca 0.00 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.34 1pls s ILE 33 Cb 0.00 -0.72 0.02 0.00 -1.58 0.00 0.00 42.46 40.17 1pls s ILE 33 CO 0.00 0.29 -0.11 -1.83 -1.23 0.00 0.00 174.94 172.06 1pls s GLU 34 N 1.57 1.63 0.04 2.79 -1.05 -1.04 -0.41 118.70 122.22 1pls s GLU 34 Ca -0.00 -0.36 0.04 0.00 -0.15 0.00 0.00 54.97 54.50 1pls s GLU 34 Cb -0.13 -1.44 -0.02 0.00 -0.44 0.00 0.00 34.13 32.10 1pls s GLU 34 CO -0.04 -0.06 -0.13 -0.59 0.95 0.00 0.00 175.26 175.39 1pls s PHE 35 N 0.95 1.12 0.00 4.83 -0.12 -1.02 -1.80 117.98 121.95 1pls s PHE 35 Ca -0.09 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 1pls s PHE 35 Cb -0.15 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.58 1pls s PHE 35 CO 0.00 0.02 0.00 0.66 -0.05 0.00 0.00 175.22 175.86 1pls n TYR 36 N 1.83 0.00 -0.09 3.49 4.02 0.12 -1.44 117.16 125.09 1pls n TYR 36 Ca -0.19 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.58 1pls n TYR 36 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.72 1pls n TYR 36 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1pls n LYS 37 N 0.00 0.68 -4.65 -0.72 4.76 -1.26 -1.06 118.16 115.91 1pls n LYS 37 Ca 0.00 0.07 -0.32 0.00 -2.87 0.00 0.00 58.31 55.20 1pls n LYS 37 Cb 0.00 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.56 1pls n LYS 37 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1pls n LYS 38 N -2.92 0.75 -0.24 1.97 4.81 -1.26 -2.62 118.16 118.65 1pls n LYS 38 Ca -0.33 -3.67 0.32 0.00 -0.87 0.00 0.00 58.31 53.75 1pls n LYS 38 Cb 1.11 1.08 0.66 0.00 0.02 0.00 0.00 35.03 37.89 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1pls h LYS 39 N 0.00 0.00 -0.22 1.64 3.64 -1.93 -3.24 116.57 116.46 1pls h LYS 39 Ca -0.41 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.84 1pls h LYS 39 Cb 1.27 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 1pls h LYS 39 CO 0.68 0.00 -0.31 0.43 -2.27 0.00 0.00 179.45 177.98 1pls n SER 40 N -3.72 -2.37 0.30 4.20 7.64 -1.26 -4.94 113.62 113.48 1pls n SER 40 Ca 0.23 -2.48 0.11 0.00 1.01 0.00 0.00 58.87 57.75 1pls n SER 40 Cb 1.30 1.36 0.61 0.00 -1.01 0.00 0.00 64.21 66.46 1pls n SER 40 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1pls h ASP 41 N 3.99 0.00 0.00 6.43 3.58 -1.92 -3.43 116.42 125.07 1pls h ASP 41 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1pls h ASP 41 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1pls h ASP 41 CO 0.06 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.22 1pls n ASN 42 N -2.67 0.00 -3.68 2.28 2.85 -1.26 -4.94 115.26 107.84 1pls n ASN 42 Ca -0.01 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 1pls n ASN 42 Cb 0.46 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.35 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1pls s SER 43 N -1.47 3.72 0.27 1.20 0.15 -1.26 -5.11 113.70 111.20 1pls s SER 43 Ca 0.00 -2.10 -0.29 0.00 0.70 0.00 0.00 55.95 54.26 1pls s SER 43 Cb 0.00 -0.86 -0.14 0.00 -1.71 0.00 0.00 66.02 63.31 1pls s SER 43 CO 0.00 -0.34 1.02 -2.65 1.20 0.00 0.00 173.24 172.47 1pls n PRO 44 N 4.22 1.28 0.07 5.44 -0.02 -1.26 -4.80 135.00 139.93 1pls n PRO 44 Ca 0.04 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 1pls n PRO 44 Cb 0.38 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 1pls n PRO 44 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pls n LYS 45 N 0.93 0.61 -3.60 -0.52 4.76 -0.52 -4.94 118.16 114.88 1pls n LYS 45 Ca 0.11 0.18 -0.12 0.00 -2.87 0.00 0.00 58.31 55.60 1pls n LYS 45 Cb 0.30 -1.82 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 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 -4.59 -0.34 -0.06 0.72 0.00 -1.23 -5.07 107.32 96.75 1pls s GLY 46 Ca -0.02 2.16 -0.00 0.00 0.00 0.00 0.00 44.72 46.85 1pls s GLY 46 CO 0.80 1.50 -0.02 1.06 0.00 0.00 0.00 173.10 176.44 1pls s MET 47 N -0.26 0.71 -0.12 2.90 -1.94 -1.26 -2.43 119.30 116.90 1pls s MET 47 Ca -0.01 0.02 -0.18 0.00 -1.71 0.00 0.00 55.69 53.80 1pls s MET 47 Cb -0.03 -0.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 1pls s MET 47 CO -0.00 -0.22 0.48 0.42 -0.01 0.00 0.00 175.02 175.69 1pls s ILE 48 N 1.54 5.18 0.24 2.53 1.01 0.45 -4.90 121.20 127.25 1pls s ILE 48 Ca -0.01 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1pls s ILE 48 Cb -0.13 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 1pls s ILE 48 CO -0.03 0.32 1.18 -2.16 0.00 0.00 0.00 174.94 174.24 1pls s PRO 49 N 0.67 4.53 -0.12 2.79 0.04 -1.26 -0.85 135.00 140.79 1pls s PRO 49 Ca 0.26 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1pls s PRO 49 Cb -0.15 -3.20 0.32 0.00 0.04 0.00 0.00 34.50 31.51 1pls s PRO 49 CO 0.10 0.01 1.12 -0.11 0.04 0.00 0.00 177.00 178.16 1pls n LEU 50 N 1.82 3.43 0.07 -3.56 7.94 -1.26 -3.77 117.00 121.66 1pls n LEU 50 Ca 0.02 -1.76 0.11 0.00 -1.11 0.00 0.00 56.01 53.28 1pls n LEU 50 Cb 0.44 -0.60 -0.00 0.00 0.53 0.00 0.00 43.42 43.79 1pls n LEU 50 CO 0.56 0.50 -0.06 2.29 -1.11 0.00 0.00 177.39 179.57 1pls n LYS 51 N 0.13 0.54 0.00 1.96 2.85 -1.26 -4.42 118.16 117.96 1pls n LYS 51 Ca 0.15 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1pls n LYS 51 Cb 0.74 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pls n GLY 52 N 1.23 -0.69 1.82 2.58 0.00 -1.25 -4.86 105.19 104.02 1pls n GLY 52 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1pls n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pls n SER 53 N 0.00 -8.24 -4.82 1.61 3.41 -1.26 -4.66 113.62 99.66 1pls n SER 53 Ca 0.00 1.30 -0.22 0.00 -0.26 0.00 0.00 58.87 59.69 1pls n SER 53 Cb 0.00 -4.77 -0.04 0.00 -0.26 0.00 0.00 64.21 59.14 1pls n SER 53 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1pls s THR 54 N -2.32 2.92 0.01 6.66 -1.32 0.38 -4.55 115.64 117.43 1pls s THR 54 Ca 0.00 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1pls s THR 54 Cb 0.00 -3.05 -0.01 0.00 -1.51 0.00 0.00 72.50 67.93 1pls s THR 54 CO 0.00 -0.08 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.02 1pls s LEU 55 N -4.01 2.08 -0.11 9.08 1.98 -1.26 -1.96 118.68 124.48 1pls s LEU 55 Ca 0.43 -0.25 -0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1pls s LEU 55 Cb -0.03 -0.39 0.03 0.00 0.66 0.00 0.00 46.19 46.45 1pls s LEU 55 CO 0.26 0.04 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.80 1pls s THR 56 N -0.47 0.95 -0.09 3.68 2.01 0.23 -4.92 115.64 117.03 1pls s THR 56 Ca 0.01 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1pls s THR 56 Cb -0.05 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.52 1pls s THR 56 CO 0.00 0.35 0.17 -0.55 -0.69 0.00 0.00 174.62 173.90 1pls s SER 57 N 1.74 0.70 0.09 3.53 0.15 -1.26 -1.41 113.70 117.24 1pls s SER 57 Ca 0.05 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1pls s SER 57 Cb -0.13 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1pls s SER 57 CO -0.08 -0.24 0.00 -0.81 1.20 0.00 0.00 173.24 173.31 1pls n PRO 58 N 5.30 0.83 0.00 5.44 -0.04 -1.26 -5.12 135.00 140.15 1pls n PRO 58 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1pls n PRO 58 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 2.96 -0.24 0.00 7.27 -1.26 -4.88 117.38 121.23 1pls n GLN 60 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1pls n GLN 60 Cb 0.00 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.71 1pls n GLN 60 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1pls n ASP 61 N 0.00 2.76 -0.03 1.69 8.00 -1.26 -3.27 116.55 124.44 1pls n ASP 61 Ca 0.00 -2.29 -0.02 0.00 0.71 0.00 0.00 54.79 53.19 1pls n ASP 61 Cb 0.00 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.53 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1pls h PHE 62 N 0.44 0.00 0.00 1.24 3.04 -2.02 -3.44 116.94 116.20 1pls h PHE 62 Ca 0.09 0.00 -0.38 0.00 3.98 0.00 0.00 57.97 61.66 1pls h PHE 62 Cb 1.20 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.64 1pls h PHE 62 CO 0.30 0.00 -2.38 0.41 -2.02 0.00 0.00 178.31 174.62 1pls n GLY 63 N 1.72 -0.35 2.28 2.40 0.00 -1.26 -4.95 105.19 105.02 1pls n GLY 63 Ca -0.03 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1pls n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pls n LYS 64 N -3.42 -1.39 0.00 1.61 4.81 -1.20 -4.92 118.16 113.64 1pls n LYS 64 Ca -0.44 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1pls n LYS 64 Cb 0.93 -5.21 0.00 0.00 0.02 0.00 0.00 35.03 30.77 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pls n ARG 65 N -1.90 3.52 0.00 1.64 5.12 -1.26 -5.03 116.66 118.75 1pls n ARG 65 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1pls n ARG 65 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1pls n MET 66 N 0.00 1.50 -1.41 5.56 2.81 -1.26 -4.75 117.12 119.57 1pls n MET 66 Ca 0.00 -0.20 0.01 0.00 -1.81 0.00 0.00 57.70 55.70 1pls n MET 66 Cb 0.00 -0.63 0.09 0.00 -0.71 0.00 0.00 33.22 31.97 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 -0.27 0.52 -4.16 2.03 3.72 -1.26 -4.72 117.46 113.31 1pls n PHE 67 Ca 0.00 -1.31 -0.26 0.00 -0.05 0.00 0.00 57.45 55.83 1pls n PHE 67 Cb 0.05 -0.22 -0.17 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.29 1.14 0.46 -4.37 0.11 -1.26 -1.78 120.40 112.41 1pls s VAL 68 Ca 0.37 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1pls s VAL 68 Cb 0.38 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1pls s VAL 68 CO -0.09 0.38 0.05 0.72 -3.33 0.00 0.00 175.10 172.82 1pls s PHE 69 N 1.31 2.18 -0.05 1.54 -0.12 -0.96 -2.17 117.98 119.71 1pls s PHE 69 Ca -0.02 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.06 1pls s PHE 69 Cb -0.14 -1.73 0.02 0.00 -0.63 0.00 0.00 43.02 40.55 1pls s PHE 69 CO -0.04 0.27 -0.03 0.21 -0.05 0.00 0.00 175.22 175.58 1pls s LYS 70 N -3.84 0.71 0.31 1.99 2.36 -0.50 -2.39 119.74 118.38 1pls s LYS 70 Ca 0.22 -0.03 0.07 0.00 -2.55 0.00 0.00 55.97 53.69 1pls s LYS 70 Cb 0.05 -0.83 -0.03 0.00 -1.05 0.00 0.00 37.83 35.97 1pls s LYS 70 CO 0.12 -0.15 0.26 0.42 1.55 0.00 0.00 175.35 177.55 1pls s ILE 71 N 1.21 3.84 -0.29 5.43 1.01 -0.66 0.74 121.20 132.48 1pls s ILE 71 Ca -0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 1pls s ILE 71 Cb -0.14 -3.26 0.13 0.00 0.01 0.00 0.00 42.46 39.20 1pls s ILE 71 CO -0.02 -0.23 0.25 -0.89 0.00 0.00 0.00 174.94 174.05 1pls s THR 72 N -2.25 -0.31 -0.93 2.92 2.01 -0.83 -1.28 115.64 114.98 1pls s THR 72 Ca 0.38 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.62 1pls s THR 72 Cb -0.07 -0.98 -0.26 0.00 0.01 0.00 0.00 72.50 71.20 1pls s THR 72 CO 0.26 -0.54 2.37 0.35 -0.69 0.00 0.00 174.62 176.36 1pls n THR 73 N 5.28 -0.01 -3.96 -0.82 -2.24 -0.31 -0.47 114.28 111.77 1pls n THR 73 Ca -0.03 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1pls n THR 73 Cb 0.45 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 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 6.72 -0.44 -2.19 4.28 5.66 -1.26 -0.66 114.28 126.39 1pls n THR 74 Ca 0.62 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.62 1pls n THR 74 Cb 0.18 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 1pls n THR 74 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pls n LYS 75 N -3.86 0.00 0.00 1.09 4.81 -0.59 -4.93 118.16 114.69 1pls n LYS 75 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1pls n LYS 75 Cb 0.48 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pls n GLN 76 N -0.77 0.00 -3.24 1.64 6.02 0.17 -5.09 117.38 116.11 1pls n GLN 76 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1pls n GLN 76 Cb 0.49 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.70 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pls s GLN 77 N 0.00 4.34 0.02 -1.09 -0.21 -1.26 -4.79 119.66 116.67 1pls s GLN 77 Ca 0.00 0.60 -0.06 0.00 0.02 0.00 0.00 55.36 55.92 1pls s GLN 77 Cb 0.00 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 1pls s GLN 77 CO 0.00 0.19 0.27 0.34 -2.12 0.00 0.00 175.29 173.97 1pls s ASP 78 N 0.46 6.49 -0.19 5.90 -1.08 -1.26 -1.16 116.67 125.83 1pls s ASP 78 Ca 0.29 0.54 -0.04 0.00 -0.52 0.00 0.00 52.55 52.83 1pls s ASP 78 Cb -0.16 -2.08 0.06 0.00 -1.46 0.00 0.00 42.92 39.28 1pls s ASP 78 CO 0.13 0.24 0.07 -1.00 0.52 0.00 0.00 175.17 175.13 1pls s HIS 79 N -1.33 0.55 -0.34 -5.34 3.76 -0.40 -4.93 115.29 107.27 1pls s HIS 79 Ca 0.29 -0.59 -0.12 0.00 -0.15 0.00 0.00 55.06 54.49 1pls s HIS 79 Cb -0.13 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.69 1pls s HIS 79 CO 0.17 -0.57 0.22 -0.06 -0.85 0.00 0.00 174.74 173.64 1pls s PHE 80 N 2.02 3.22 -0.02 1.40 0.40 -1.26 -1.65 117.98 122.09 1pls s PHE 80 Ca 0.01 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1pls s PHE 80 Cb -0.16 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1pls s PHE 80 CO -0.10 -0.41 0.12 -0.59 0.70 0.00 0.00 175.22 174.94 1pls s PHE 81 N 1.68 -0.01 0.07 0.36 -0.12 -1.01 -1.75 117.98 117.21 1pls s PHE 81 Ca 0.05 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.04 1pls s PHE 81 Cb -0.17 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 1pls s PHE 81 CO 0.09 -0.19 -0.19 1.14 -0.05 0.00 0.00 175.22 176.02 1pls s GLN 82 N -0.81 1.91 0.00 1.99 -2.07 -0.77 -2.27 119.66 117.64 1pls s GLN 82 Ca -0.09 -1.08 0.00 0.00 -1.82 0.00 0.00 55.36 52.37 1pls s GLN 82 Cb -0.05 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 1pls s GLN 82 CO 0.01 0.51 0.00 0.00 -1.32 0.00 0.00 175.29 174.49 1pls n ALA 83 N 1.28 0.00 -0.07 2.60 0.00 -0.74 -2.55 120.51 121.03 1pls n ALA 83 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1pls n ALA 83 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 0.48 -2.40 0.00 0.00 -1.26 -4.82 120.51 109.50 1pls n ALA 84 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1pls n ALA 84 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 1pls n ALA 84 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pls s PHE 85 N -2.25 1.70 0.22 0.00 -0.71 -1.26 -5.00 117.98 110.69 1pls s PHE 85 Ca -0.16 -1.30 -0.13 0.00 -1.04 0.00 0.00 56.93 54.30 1pls s PHE 85 Cb 0.02 -0.99 0.28 0.00 -1.21 0.00 0.00 43.02 41.12 1pls s PHE 85 CO 0.23 -0.40 1.61 1.25 -1.34 0.00 0.00 175.22 176.57 1pls h LEU 86 N 2.07 -0.68 0.05 -1.99 6.46 -1.96 0.10 115.31 119.37 1pls h LEU 86 Ca -0.35 0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1pls h LEU 86 Cb 1.26 0.45 -0.05 0.00 -0.73 0.00 0.00 40.66 41.58 1pls h LEU 86 CO 0.55 -0.24 -0.44 -0.08 -0.62 0.00 0.00 178.44 177.61 1pls h GLU 87 N -0.01 -0.61 0.00 1.25 4.22 -1.96 0.22 114.58 117.70 1pls h GLU 87 Ca 0.34 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.82 1pls h GLU 87 Cb 0.52 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1pls h GLU 87 CO -0.73 -0.41 0.00 1.49 -2.18 0.00 0.00 179.01 177.18 1pls h GLU 88 N -0.63 0.00 0.15 1.92 4.81 -1.65 -1.09 114.58 118.09 1pls h GLU 88 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1pls h GLU 88 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1pls h GLU 88 CO -0.29 0.00 -0.07 -0.09 -0.73 0.00 0.00 179.01 177.82 1pls h ARG 89 N 0.00 -0.20 0.00 1.92 2.43 0.19 -1.97 114.38 116.75 1pls h ARG 89 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1pls h ARG 89 Cb 0.14 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pls h ARG 89 CO 0.00 -0.13 0.00 -3.47 -1.51 0.00 0.00 179.97 174.86 1pls n ASP 90 N -3.33 0.21 0.11 -3.80 2.03 -0.57 -1.62 116.55 109.57 1pls n ASP 90 Ca -0.03 0.57 -0.23 0.00 0.52 0.00 0.00 54.79 55.62 1pls n ASP 90 Cb 0.08 -0.61 -0.15 0.00 -0.72 0.00 0.00 41.12 39.72 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pls h ALA 91 N 2.24 -0.08 0.01 -1.67 0.00 -1.19 -2.59 119.26 115.98 1pls h ALA 91 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 54.91 53.83 1pls h ALA 91 Cb 0.17 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1pls h ALA 91 CO 0.00 0.69 -0.87 -1.49 0.00 0.00 0.00 179.25 177.59 1pls h TRP 92 N 0.00 0.12 -0.29 0.00 4.06 -0.75 -2.30 115.95 116.79 1pls h TRP 92 Ca -0.25 -0.07 -0.17 0.00 2.06 0.00 0.00 58.89 60.46 1pls h TRP 92 Cb 2.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 30.17 1pls h TRP 92 CO 0.14 0.90 -0.48 -0.39 -3.56 0.00 0.00 178.44 175.05 1pls h VAL 93 N 0.04 1.29 0.00 1.49 -1.51 -1.39 -2.46 116.25 113.70 1pls h VAL 93 Ca -0.02 -1.67 -0.00 0.00 -1.23 0.00 0.00 66.70 63.77 1pls h VAL 93 Cb 1.51 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1pls h VAL 93 CO 0.12 0.54 -0.01 0.08 -1.23 0.00 0.00 177.57 177.08 1pls h ARG 94 N 0.63 0.00 0.09 5.19 0.11 -1.47 -2.49 114.38 116.45 1pls h ARG 94 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1pls h ARG 94 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1pls h ARG 94 CO 0.11 0.01 -0.04 0.22 0.10 0.00 0.00 179.97 180.36 1pls h ASP 95 N 0.00 -0.11 -0.31 0.08 1.82 -1.23 -0.08 116.42 116.59 1pls h ASP 95 Ca -0.00 -0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.42 1pls h ASP 95 Cb 0.95 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 1pls h ASP 95 CO 0.00 0.46 0.06 0.40 -1.61 0.00 0.00 179.24 178.54 1pls h ILE 96 N -1.01 1.20 -0.03 2.25 2.04 -1.57 -1.76 117.51 118.62 1pls h ILE 96 Ca -0.01 -0.75 -0.17 0.00 1.00 0.00 0.00 64.86 64.93 1pls h ILE 96 Cb 0.27 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1pls h ILE 96 CO 0.02 0.27 -0.72 -1.13 0.00 0.00 0.00 178.15 176.58 1pls h ASN 97 N 0.59 0.24 0.37 1.72 -1.24 -1.54 -2.62 115.58 113.09 1pls h ASN 97 Ca 0.13 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1pls h ASN 97 Cb 0.29 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1pls h ASN 97 CO 0.00 0.88 -0.18 0.50 -1.29 0.00 0.00 177.43 177.35 1pls h LYS 98 N 0.13 -0.47 -0.86 6.67 3.64 -0.44 -1.80 116.57 123.44 1pls h LYS 98 Ca -0.02 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1pls h LYS 98 Cb 1.28 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 33.11 1pls h LYS 98 CO 0.11 -0.17 0.44 0.00 -2.27 0.00 0.00 179.45 177.56 1pls h ALA 99 N -0.70 1.32 0.05 5.00 0.00 -1.43 -0.26 119.26 123.24 1pls h ALA 99 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pls h ALA 99 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pls h ALA 99 CO 0.08 -0.12 -0.03 0.82 0.00 0.00 0.00 179.25 180.00 1pls h ILE 100 N 0.61 0.92 0.00 0.00 2.04 -1.44 0.22 117.51 119.86 1pls h ILE 100 Ca 0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.34 1pls h ILE 100 Cb 0.71 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1pls h ILE 100 CO -0.38 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.06 1pls n LYS 101 N -5.13 0.03 -0.03 2.37 5.02 -0.34 -1.59 118.16 118.49 1pls n LYS 101 Ca -0.07 0.40 -0.07 0.00 -2.02 0.00 0.00 58.31 56.55 1pls n LYS 101 Cb 0.07 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls h ILE 103 N 0.00 1.50 0.00 0.00 1.08 -0.04 0.69 117.51 120.74 1pls h ILE 103 Ca -0.32 -2.84 0.00 0.00 -0.39 0.00 0.00 64.86 61.31 1pls h ILE 103 Cb 1.96 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 38.40 1pls h ILE 103 CO 0.06 0.83 0.00 -0.62 -0.69 0.00 0.00 178.15 177.73 1pls n GLU 104 N -3.60 0.32 -0.12 2.37 1.02 -0.91 -2.61 120.64 117.11 1pls n GLU 104 Ca -0.06 0.09 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1pls n GLU 104 Cb 0.91 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.32 -0.49 2.67 0.62 0.00 -1.13 -4.87 105.19 102.31 1pls n GLY 105 Ca 0.10 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.21 7.45 0.00 0.99 4.77 0.22 -4.85 117.00 125.38 1pls n LEU 106 Ca 0.01 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 1pls n LEU 106 Cb 0.51 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1pls n LEU 106 CO 0.00 1.95 0.14 -0.62 -1.33 0.00 0.00 177.39 177.53 1pls n GLU 107 N 0.20 0.00 -1.57 3.23 1.02 -1.26 -4.52 120.64 117.74 1pls n GLU 107 Ca 0.51 0.11 -0.50 0.00 -0.02 0.00 0.00 57.16 57.26 1pls n GLU 107 Cb 0.28 -0.77 -0.05 0.00 -0.02 0.00 0.00 31.44 30.88 1pls n GLU 107 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1pls n HIS 108 N -0.38 1.23 0.00 -0.32 1.44 -1.26 -4.85 115.22 111.08 1pls n HIS 108 Ca 0.00 0.71 0.00 0.00 -2.01 0.00 0.00 57.72 56.42 1pls n HIS 108 Cb 0.00 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 27.84 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1pls n HIS 109 N 1.62 0.00 -2.06 -1.40 -0.00 -1.26 -4.88 115.22 107.24 1pls n HIS 109 Ca 0.16 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.37 1pls n HIS 109 Cb 0.23 0.09 0.04 0.00 -0.12 0.00 0.00 29.99 30.23 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1pls n HIS 110 N -2.45 0.00 -2.24 1.57 -0.00 -1.21 -4.96 115.22 105.92 1pls n HIS 110 Ca 0.00 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.72 57.21 1pls n HIS 110 Cb 0.31 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 1pls n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 111 N -0.07 -0.40 0.00 1.57 -0.00 -1.26 -4.68 115.22 110.38 1pls n HIS 111 Ca 0.06 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1pls n HIS 111 Cb 0.87 -1.95 0.00 0.00 -0.12 0.00 0.00 29.99 28.78 1pls n HIS 111 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1pls n HIS 112 N -3.87 0.00 0.40 1.57 -0.00 -1.26 -5.19 115.22 106.86 1pls n HIS 112 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.71 1pls n HIS 112 Cb 0.55 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.58 1pls n HIS 112 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95