#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 -1.06 0.00 0.03 5.08 -2.12 -3.40 114.58 113.11 1pls h GLU 2 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pls h GLU 2 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1pls h GLU 2 CO 0.00 -0.71 0.00 -0.35 -1.00 0.00 0.00 179.01 176.95 1pls n PRO 3 N -5.05 0.00 -2.77 2.33 -0.04 -1.26 -5.00 135.00 123.21 1pls n PRO 3 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1pls n PRO 3 Cb 0.43 -0.11 -0.01 0.00 -0.04 0.00 0.00 33.50 33.77 1pls n PRO 3 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pls n LYS 4 N 0.00 -3.26 -2.76 0.54 5.02 -1.26 -4.93 118.16 111.51 1pls n LYS 4 Ca 0.00 2.63 -0.34 0.00 -2.02 0.00 0.00 58.31 58.57 1pls n LYS 4 Cb 0.00 -4.48 -0.06 0.00 -0.02 0.00 0.00 35.03 30.47 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 -1.21 4.27 0.00 1.97 3.00 -1.26 -4.95 118.95 120.77 1pls s ARG 5 Ca -0.08 1.23 0.00 0.00 0.00 0.00 0.00 55.73 56.89 1pls s ARG 5 Cb 0.01 -2.36 0.00 0.00 0.00 0.00 0.00 34.95 32.59 1pls s ARG 5 CO 0.64 -0.00 0.62 -0.89 0.00 0.00 0.00 175.30 175.68 1pls n ILE 6 N -0.31 0.00 -4.08 1.52 -0.00 -1.17 -4.71 119.36 110.61 1pls n ILE 6 Ca 0.06 1.10 -0.35 0.00 -0.00 0.00 0.00 62.75 63.56 1pls n ILE 6 Cb 0.52 -2.07 -0.12 0.00 -0.00 0.00 0.00 39.64 37.98 1pls n ILE 6 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1pls s ARG 7 N -2.14 3.70 -0.11 0.38 6.06 -0.99 -5.00 118.95 120.86 1pls s ARG 7 Ca 0.00 -0.48 -0.04 0.00 -2.50 0.00 0.00 55.73 52.70 1pls s ARG 7 Cb 0.00 -3.11 0.06 0.00 0.06 0.00 0.00 34.95 31.96 1pls s ARG 7 CO 0.00 0.08 0.23 -1.83 -2.50 0.00 0.00 175.30 171.28 1pls s GLU 8 N 0.85 0.13 0.00 5.12 1.03 -1.26 -0.17 118.70 124.40 1pls s GLU 8 Ca 0.01 0.64 0.00 0.00 0.03 0.00 0.00 54.97 55.65 1pls s GLU 8 Cb -0.14 -0.11 0.00 0.00 -0.80 0.00 0.00 34.13 33.08 1pls s GLU 8 CO 0.02 -0.25 0.00 0.41 -1.33 0.00 0.00 175.26 174.11 1pls n GLY 9 N 5.02 3.50 2.55 -3.83 0.00 -0.87 -5.00 105.19 106.56 1pls n GLY 9 Ca -0.11 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.72 0.39 0.00 1.61 1.13 -1.26 -2.28 117.35 116.22 1pls s TYR 10 Ca 0.00 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.73 1pls s TYR 10 Cb 0.00 -0.94 0.00 0.00 -1.10 0.00 0.00 41.96 39.92 1pls s TYR 10 CO 0.00 -0.83 0.00 1.28 -2.51 0.00 0.00 175.55 173.49 1pls n LEU 11 N 5.22 0.00 -3.70 -3.49 7.99 -0.56 -4.81 117.00 117.64 1pls n LEU 11 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.83 1pls n LEU 11 Cb 0.42 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.61 1pls n LEU 11 CO 0.04 0.00 -0.01 0.54 -1.51 0.00 0.00 177.39 176.45 1pls s VAL 12 N 4.10 -0.08 0.40 4.08 0.11 -0.92 0.24 120.40 128.34 1pls s VAL 12 Ca 0.00 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1pls s VAL 12 Cb 0.00 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1pls s VAL 12 CO 0.00 0.05 0.09 -0.75 -3.33 0.00 0.00 175.10 171.16 1pls s LYS 13 N 1.45 2.11 0.08 1.54 2.20 -1.03 -0.97 119.74 125.12 1pls s LYS 13 Ca -0.09 -1.92 0.07 0.00 -0.36 0.00 0.00 55.97 53.68 1pls s LYS 13 Cb -0.09 -1.85 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1pls s LYS 13 CO -0.11 -0.05 -0.20 -1.59 -0.36 0.00 0.00 175.35 173.04 1pls s LYS 14 N -3.81 1.17 0.00 4.03 0.00 -0.34 -2.18 119.74 118.62 1pls s LYS 14 Ca 0.38 -1.05 0.00 0.00 0.00 0.00 0.00 55.97 55.30 1pls s LYS 14 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 37.83 36.53 1pls s LYS 14 CO 0.20 0.32 0.00 0.41 0.00 0.00 0.00 175.35 176.29 1pls n GLY 15 N 1.39 2.09 0.00 0.59 0.00 -1.13 -4.59 105.19 103.54 1pls n GLY 15 Ca -0.19 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1pls n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pls n SER 16 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.95 113.62 112.43 1pls n SER 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pls n SER 16 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pls n VAL 17 N 0.00 0.00 -2.70 -3.33 0.24 -1.26 -5.01 118.33 106.27 1pls n VAL 17 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1pls n VAL 17 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.48 -1.73 -4.06 6.34 3.72 -1.26 -4.96 117.46 114.02 1pls n PHE 18 Ca 0.00 -1.42 -0.31 0.00 -0.05 0.00 0.00 57.45 55.67 1pls n PHE 18 Cb 0.00 1.40 -0.01 0.00 -0.94 0.00 0.00 39.48 39.93 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 0.60 -2.59 -4.85 4.37 4.13 -1.26 -4.94 115.26 110.73 1pls n ASN 19 Ca 0.01 -0.96 -0.23 0.00 1.68 0.00 0.00 54.58 55.08 1pls n ASN 19 Cb 0.72 -3.11 0.07 0.00 -1.54 0.00 0.00 39.78 35.92 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1pls s THR 20 N -3.52 2.38 -0.14 3.41 -4.23 -1.26 -4.73 115.64 107.56 1pls s THR 20 Ca 0.47 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 1pls s THR 20 Cb -0.25 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1pls s THR 20 CO 0.89 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 175.11 1pls s TRP 21 N -3.05 1.93 -0.03 3.99 0.52 -1.26 -2.84 118.94 118.20 1pls s TRP 21 Ca 0.61 -1.05 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1pls s TRP 21 Cb -0.09 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1pls s TRP 21 CO 0.42 -0.61 0.02 0.15 0.02 0.00 0.00 176.95 176.95 1pls s LYS 22 N 1.56 0.13 -0.01 4.98 -0.14 -0.92 -4.98 119.74 120.36 1pls s LYS 22 Ca 0.05 0.14 -0.31 0.00 -1.36 0.00 0.00 55.97 54.49 1pls s LYS 22 Cb -0.13 -0.37 -0.09 0.00 -1.68 0.00 0.00 37.83 35.56 1pls s LYS 22 CO -0.10 -0.16 1.99 -2.30 -0.76 0.00 0.00 175.35 174.02 1pls n PRO 23 N 4.19 2.68 -4.50 -1.68 -0.02 -1.26 -2.47 135.00 131.94 1pls n PRO 23 Ca -0.27 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 1pls n PRO 23 Cb 0.50 -2.97 -0.11 0.00 -0.02 0.00 0.00 33.50 30.90 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 4.60 1.74 0.15 -0.52 0.23 0.14 -4.87 119.30 120.77 1pls s MET 24 Ca 0.91 -1.95 -0.14 0.00 -1.03 0.00 0.00 55.69 53.48 1pls s MET 24 Cb -0.47 -1.23 -0.07 0.00 -1.53 0.00 0.00 34.83 31.53 1pls s MET 24 CO 0.43 -0.07 0.55 -0.46 -2.03 0.00 0.00 175.02 173.43 1pls s TRP 25 N -3.00 3.58 -0.16 3.16 -0.11 -0.54 -1.49 118.94 120.38 1pls s TRP 25 Ca 0.34 1.03 -0.14 0.00 1.22 0.00 0.00 56.10 58.55 1pls s TRP 25 Cb 0.08 -2.35 0.04 0.00 -1.50 0.00 0.00 33.47 29.74 1pls s TRP 25 CO 0.16 0.41 0.41 0.54 -4.62 0.00 0.00 176.95 173.85 1pls s VAL 26 N -1.50 -0.00 -0.33 5.86 0.11 -0.97 -0.43 120.40 123.13 1pls s VAL 26 Ca 0.39 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1pls s VAL 26 Cb -0.14 -0.58 0.11 0.00 -1.53 0.00 0.00 36.38 34.23 1pls s VAL 26 CO 0.19 0.00 0.12 0.68 -3.33 0.00 0.00 175.10 172.76 1pls s VAL 27 N 0.26 1.12 -0.09 2.04 -7.23 -0.97 -2.05 120.40 113.48 1pls s VAL 27 Ca -0.00 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1pls s VAL 27 Cb -0.03 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1pls s VAL 27 CO 0.00 -0.71 1.19 -1.48 -0.31 0.00 0.00 175.10 173.79 1pls s LEU 28 N 1.33 4.24 0.35 1.32 0.05 0.76 -2.35 118.68 124.38 1pls s LEU 28 Ca 0.11 1.74 0.08 0.00 0.05 0.00 0.00 54.13 56.11 1pls s LEU 28 Cb -0.19 -3.55 -0.03 0.00 -2.05 0.00 0.00 46.19 40.37 1pls s LEU 28 CO -0.19 -0.62 0.28 -0.76 -0.55 0.00 0.00 176.35 174.52 1pls s LEU 29 N 2.54 3.50 0.00 1.48 1.02 -0.23 -2.35 118.68 124.64 1pls s LEU 29 Ca 0.54 -0.59 0.20 0.00 0.02 0.00 0.00 54.13 54.30 1pls s LEU 29 Cb -0.23 -2.10 0.89 0.00 0.02 0.00 0.00 46.19 44.77 1pls s LEU 29 CO 0.19 -0.41 1.64 1.21 0.02 0.00 0.00 176.35 179.01 1pls n GLU 30 N -1.37 0.06 -0.05 1.70 2.13 -1.26 -2.40 120.64 119.45 1pls n GLU 30 Ca -0.01 0.15 0.03 0.00 0.66 0.00 0.00 57.16 57.99 1pls n GLU 30 Cb 0.60 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.87 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pls n ASP 31 N -1.46 2.00 0.00 4.31 5.75 -1.26 -4.79 116.55 121.10 1pls n ASP 31 Ca 0.06 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1pls n ASP 31 Cb 0.22 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.27 4.21 3.69 6.12 0.00 -1.01 -4.42 105.19 114.06 1pls n GLY 32 Ca 0.05 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.86 5.35 -0.17 -0.61 1.09 -0.56 -1.06 121.20 123.37 1pls s ILE 33 Ca 0.00 0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.82 1pls s ILE 33 Cb 0.00 -3.53 0.04 0.00 -1.06 0.00 0.00 42.46 37.91 1pls s ILE 33 CO 0.00 0.37 -0.06 -1.83 -0.10 0.00 0.00 174.94 173.31 1pls s GLU 34 N 0.81 1.58 0.15 2.79 -1.05 -0.99 -0.68 118.70 121.30 1pls s GLU 34 Ca 0.10 -0.60 0.10 0.00 -0.15 0.00 0.00 54.97 54.42 1pls s GLU 34 Cb -0.13 -2.11 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 1pls s GLU 34 CO 0.03 -0.43 -0.20 -0.59 0.95 0.00 0.00 175.26 175.02 1pls s PHE 35 N 1.57 2.45 0.00 4.83 -0.12 -0.96 -2.28 117.98 123.48 1pls s PHE 35 Ca 0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1pls s PHE 35 Cb -0.16 -1.27 0.00 0.00 -0.63 0.00 0.00 43.02 40.96 1pls s PHE 35 CO -0.08 0.42 0.00 0.66 -0.05 0.00 0.00 175.22 176.17 1pls n TYR 36 N 0.60 0.00 -0.04 3.49 4.02 0.43 -1.55 117.16 124.10 1pls n TYR 36 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.61 1pls n TYR 36 Cb 0.54 0.00 -0.14 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 -2.88 -0.72 5.02 -1.26 -1.47 118.16 117.53 1pls n LYS 37 Ca 0.00 0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1pls n LYS 37 Cb 0.00 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pls n LYS 38 N -3.13 1.25 -0.11 1.97 5.02 -1.26 -2.46 118.16 119.44 1pls n LYS 38 Ca -0.27 -1.23 0.26 0.00 -2.02 0.00 0.00 58.31 55.05 1pls n LYS 38 Cb 1.07 0.47 0.59 0.00 -0.02 0.00 0.00 35.03 37.13 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pls h LYS 39 N 0.00 0.00 0.00 1.97 1.63 -1.93 -3.35 116.57 114.89 1pls h LYS 39 Ca -0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1pls h LYS 39 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1pls h LYS 39 CO 0.21 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.64 1pls n SER 40 N -3.47 -0.05 -0.13 4.20 7.64 -1.26 -4.93 113.62 115.62 1pls n SER 40 Ca 0.18 0.02 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 1pls n SER 40 Cb 1.17 0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 64.63 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 -2.53 -5.73 -1.52 6.43 2.03 -1.26 -2.85 116.55 111.13 1pls n ASP 41 Ca 0.00 0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.32 1pls n ASP 41 Cb 0.00 -3.38 -0.01 0.00 -0.72 0.00 0.00 41.12 37.01 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 -0.94 -1.01 -3.15 1.67 4.13 -1.26 -4.75 115.26 109.95 1pls n ASN 42 Ca -0.02 0.18 0.05 0.00 1.68 0.00 0.00 54.58 56.47 1pls n ASN 42 Cb 0.48 -1.21 -0.01 0.00 -1.54 0.00 0.00 39.78 37.49 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pls s SER 43 N -1.47 -0.73 0.23 6.41 0.15 -1.13 -5.14 113.70 112.01 1pls s SER 43 Ca 0.00 0.38 -0.30 0.00 0.70 0.00 0.00 55.95 56.74 1pls s SER 43 Cb 0.00 1.58 -0.09 0.00 -1.71 0.00 0.00 66.02 65.80 1pls s SER 43 CO 0.00 -0.14 1.22 -2.16 1.20 0.00 0.00 173.24 173.36 1pls s PRO 44 N 2.93 4.48 0.17 5.44 0.04 -1.26 -4.44 135.00 142.35 1pls s PRO 44 Ca 0.08 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.30 1pls s PRO 44 Cb -0.10 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.35 1pls s PRO 44 CO -0.16 -0.08 1.13 -0.22 0.04 0.00 0.00 177.00 177.72 1pls h LYS 45 N 4.73 0.00 -1.15 4.56 3.64 -1.59 -3.48 116.57 123.28 1pls h LYS 45 Ca -0.46 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1pls h LYS 45 Cb 1.22 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.72 1pls h LYS 45 CO 0.72 0.00 0.82 0.20 -2.27 0.00 0.00 179.45 178.92 1pls s GLY 46 N -4.08 0.28 -0.07 5.01 0.00 -1.21 -5.07 107.32 102.18 1pls s GLY 46 Ca 0.02 3.38 0.00 0.00 0.00 0.00 0.00 44.72 48.12 1pls s GLY 46 CO 0.77 1.90 -0.04 1.06 0.00 0.00 0.00 173.10 176.78 1pls s MET 47 N 0.02 0.99 -0.02 2.90 -1.94 -1.26 -2.25 119.30 117.74 1pls s MET 47 Ca 0.07 -0.10 -0.20 0.00 -1.71 0.00 0.00 55.69 53.75 1pls s MET 47 Cb -0.05 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.65 1pls s MET 47 CO -0.14 -0.17 0.56 0.42 -0.01 0.00 0.00 175.02 175.67 1pls s ILE 48 N 1.37 4.96 0.25 2.53 1.01 0.14 -4.93 121.20 126.52 1pls s ILE 48 Ca -0.03 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 1pls s ILE 48 Cb -0.13 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 1pls s ILE 48 CO -0.03 0.42 1.19 -2.16 0.00 0.00 0.00 174.94 174.36 1pls s PRO 49 N -0.18 4.52 -0.19 2.79 0.04 -1.26 -1.50 135.00 139.22 1pls s PRO 49 Ca 0.30 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1pls s PRO 49 Cb -0.18 -3.19 0.14 0.00 0.04 0.00 0.00 34.50 31.31 1pls s PRO 49 CO 0.16 0.00 1.91 -0.11 0.04 0.00 0.00 177.00 179.00 1pls n LEU 50 N 1.71 5.79 0.00 -3.56 7.94 -1.26 -4.39 117.00 123.23 1pls n LEU 50 Ca 0.02 -2.85 0.00 0.00 -1.11 0.00 0.00 56.01 52.07 1pls n LEU 50 Cb 0.44 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1pls n LEU 50 CO 0.56 1.08 0.00 1.17 -1.11 0.00 0.00 177.39 179.09 1pls n LYS 51 N 0.69 0.00 -2.85 1.96 4.81 -1.26 -4.52 118.16 116.99 1pls n LYS 51 Ca 0.18 0.20 -0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1pls n LYS 51 Cb 0.59 -0.67 0.01 0.00 0.02 0.00 0.00 35.03 34.98 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pls n GLY 52 N 1.77 0.41 0.04 3.14 0.00 -1.26 -4.38 105.19 104.91 1pls n GLY 52 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.99 0.00 -3.57 1.61 3.41 -1.26 -2.51 113.62 113.28 1pls n SER 53 Ca 0.14 -1.01 -0.22 0.00 -0.26 0.00 0.00 58.87 57.53 1pls n SER 53 Cb 0.59 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 1pls n SER 53 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pls s THR 54 N -1.02 -0.20 -0.32 6.66 -4.23 0.44 -4.76 115.64 112.21 1pls s THR 54 Ca 0.01 -0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.24 1pls s THR 54 Cb -0.00 -0.56 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 1pls s THR 54 CO 0.01 -0.19 0.71 -0.22 -0.54 0.00 0.00 174.62 174.39 1pls s LEU 55 N 2.23 4.14 -0.19 4.79 1.98 -1.26 0.17 118.68 130.54 1pls s LEU 55 Ca 0.04 0.46 -0.08 0.00 -2.89 0.00 0.00 54.13 51.66 1pls s LEU 55 Cb -0.15 -2.94 -0.04 0.00 0.66 0.00 0.00 46.19 43.71 1pls s LEU 55 CO -0.10 -0.59 0.09 -0.89 -1.89 0.00 0.00 176.35 172.98 1pls s THR 56 N 2.83 5.07 -0.17 3.68 2.01 -0.13 -4.98 115.64 123.94 1pls s THR 56 Ca 0.29 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 1pls s THR 56 Cb -0.14 -3.29 0.08 0.00 0.01 0.00 0.00 72.50 69.16 1pls s THR 56 CO 0.13 0.46 0.36 -0.55 -0.69 0.00 0.00 174.62 174.33 1pls s SER 57 N 0.28 -0.01 0.30 3.53 0.15 -1.26 -2.16 113.70 114.53 1pls s SER 57 Ca 0.06 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1pls s SER 57 Cb -0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1pls s SER 57 CO -0.01 -0.23 0.00 -0.81 1.20 0.00 0.00 173.24 173.39 1pls n PRO 58 N 5.37 0.47 0.00 5.44 -0.04 -1.26 -5.12 135.00 139.85 1pls n PRO 58 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 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 2.61 -0.12 0.00 7.27 -1.26 -4.79 117.38 121.08 1pls n GLN 60 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1pls n GLN 60 Cb 0.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.72 1pls n GLN 60 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1pls n ASP 61 N 0.00 1.31 0.00 1.69 5.68 -1.26 -3.37 116.55 120.60 1pls n ASP 61 Ca 0.00 -2.08 0.12 0.00 -0.50 0.00 0.00 54.79 52.33 1pls n ASP 61 Cb 0.00 -0.29 0.29 0.00 -1.14 0.00 0.00 41.12 39.98 1pls n ASP 61 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1pls n PHE 62 N 0.02 0.01 0.00 2.11 -0.00 -1.26 -4.81 117.46 113.53 1pls n PHE 62 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1pls n PHE 62 Cb 0.26 -0.29 0.00 0.00 -0.00 0.00 0.00 39.48 39.46 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pls n GLY 63 N 1.50 1.46 4.00 7.13 0.00 -1.22 -4.99 105.19 113.07 1pls n GLY 63 Ca 0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -0.53 0.00 1.61 3.00 -1.26 -4.55 118.16 116.43 1pls n LYS 64 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1pls n LYS 64 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 32.09 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1pls n ARG 65 N -4.85 0.00 0.00 1.64 0.63 -1.26 -5.14 116.66 107.68 1pls n ARG 65 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1pls n ARG 65 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pls n MET 66 N 0.00 0.00 -2.38 -0.14 2.81 -1.26 -5.04 117.12 111.11 1pls n MET 66 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1pls n MET 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 2.66 -4.77 2.03 3.72 -1.26 -4.94 117.46 114.90 1pls n PHE 67 Ca 0.00 -2.73 -0.33 0.00 -0.05 0.00 0.00 57.45 54.35 1pls n PHE 67 Cb 0.00 -1.68 -0.15 0.00 -0.94 0.00 0.00 39.48 36.70 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 -1.33 2.68 0.45 -4.37 0.11 -1.26 -2.28 120.40 114.40 1pls s VAL 68 Ca 0.43 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1pls s VAL 68 Cb 0.13 -2.11 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 1pls s VAL 68 CO -0.03 0.53 0.01 0.72 -3.33 0.00 0.00 175.10 173.00 1pls s PHE 69 N 0.53 2.22 -0.23 1.54 -0.12 -0.97 -3.96 117.98 117.00 1pls s PHE 69 Ca -0.10 -0.81 -0.01 0.00 -0.05 0.00 0.00 56.93 55.96 1pls s PHE 69 Cb -0.16 -1.69 0.07 0.00 -0.63 0.00 0.00 43.02 40.61 1pls s PHE 69 CO 0.04 0.34 0.01 0.21 -0.05 0.00 0.00 175.22 175.76 1pls s LYS 70 N -3.78 1.10 0.54 1.99 2.20 -0.92 -2.46 119.74 118.41 1pls s LYS 70 Ca 0.23 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1pls s LYS 70 Cb 0.06 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 34.06 1pls s LYS 70 CO 0.12 -0.68 0.81 0.42 -0.36 0.00 0.00 175.35 175.66 1pls s ILE 71 N 1.60 3.67 -0.36 5.43 1.01 -0.72 -0.96 121.20 130.87 1pls s ILE 71 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1pls s ILE 71 Cb -0.18 -3.42 0.15 0.00 0.01 0.00 0.00 42.46 39.02 1pls s ILE 71 CO -0.10 -0.37 0.31 -0.89 0.00 0.00 0.00 174.94 173.89 1pls s THR 72 N -2.83 -0.16 1.00 2.92 2.01 0.13 -1.08 115.64 117.62 1pls s THR 72 Ca 0.52 -1.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1pls s THR 72 Cb -0.10 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 1pls s THR 72 CO 0.42 -0.72 -0.38 0.35 -0.69 0.00 0.00 174.62 173.60 1pls n THR 73 N 4.27 0.00 0.15 -0.82 -2.24 -1.24 -0.42 114.28 113.97 1pls n THR 73 Ca 0.10 -0.31 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1pls n THR 73 Cb 0.42 -0.29 0.41 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.21 1.30 0.68 4.28 5.66 -1.04 -0.94 114.28 121.00 1pls n THR 74 Ca 0.01 0.62 0.03 0.00 -3.05 0.00 0.00 64.05 61.66 1pls n THR 74 Cb 0.58 -1.60 0.13 0.00 -1.55 0.00 0.00 70.33 67.89 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 -2.02 2.06 -2.43 1.09 4.76 -1.26 -4.84 118.16 115.52 1pls n LYS 75 Ca -0.01 -1.04 -0.12 0.00 -2.87 0.00 0.00 58.31 54.27 1pls n LYS 75 Cb 0.04 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1pls n GLN 76 N 0.24 -1.74 -1.67 1.97 7.27 -0.11 -5.01 117.38 118.32 1pls n GLN 76 Ca 0.09 0.55 -0.15 0.00 0.07 0.00 0.00 57.00 57.56 1pls n GLN 76 Cb 0.43 -4.65 0.08 0.00 2.41 0.00 0.00 30.24 28.52 1pls n GLN 76 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1pls n GLN 77 N -2.33 -0.02 -3.91 3.69 0.00 -1.21 -4.89 117.38 108.71 1pls n GLN 77 Ca -0.11 -1.57 -0.11 0.00 -0.00 0.00 0.00 57.00 55.22 1pls n GLN 77 Cb 0.59 -0.49 -0.12 0.00 0.00 0.00 0.00 30.24 30.23 1pls n GLN 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1pls s ASP 78 N -3.57 0.08 -0.35 1.69 1.01 -1.26 -3.63 116.67 110.66 1pls s ASP 78 Ca 0.41 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.47 1pls s ASP 78 Cb -0.02 0.14 0.15 0.00 1.01 0.00 0.00 42.92 44.19 1pls s ASP 78 CO 0.28 -0.22 0.31 -1.00 0.21 0.00 0.00 175.17 174.75 1pls s HIS 79 N -0.94 -0.09 -0.44 4.23 3.76 -0.24 -4.90 115.29 116.68 1pls s HIS 79 Ca -0.10 -0.87 -0.22 0.00 -0.15 0.00 0.00 55.06 53.72 1pls s HIS 79 Cb -0.06 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 33.10 1pls s HIS 79 CO 0.00 -0.92 0.70 -0.06 -0.85 0.00 0.00 174.74 173.60 1pls s PHE 80 N 1.57 3.04 -0.02 1.40 0.40 -1.26 -1.76 117.98 121.35 1pls s PHE 80 Ca 0.15 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.46 1pls s PHE 80 Cb -0.17 -3.46 0.01 0.00 0.51 0.00 0.00 43.02 39.91 1pls s PHE 80 CO -0.10 -0.90 0.16 -0.59 0.70 0.00 0.00 175.22 174.49 1pls s PHE 81 N 2.99 -0.05 -0.06 0.36 -0.12 -1.03 -1.19 117.98 118.88 1pls s PHE 81 Ca 0.25 0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.27 1pls s PHE 81 Cb -0.13 -0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1pls s PHE 81 CO 0.20 -0.22 -0.12 -1.14 -0.05 0.00 0.00 175.22 173.90 1pls s GLN 82 N -0.82 2.61 0.00 1.99 0.74 -0.15 -2.29 119.66 121.76 1pls s GLN 82 Ca -0.09 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.67 1pls s GLN 82 Cb -0.05 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.61 1pls s GLN 82 CO 0.01 0.62 0.00 0.00 -0.55 0.00 0.00 175.29 175.37 1pls n ALA 83 N 2.34 0.00 -1.00 1.58 0.00 -0.96 -2.16 120.51 120.30 1pls n ALA 83 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pls n ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.23 0.00 0.00 -1.26 -4.87 120.51 109.15 1pls n ALA 84 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1pls n ALA 84 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.94 0.63 0.00 0.08 -1.26 -4.82 117.98 114.55 1pls s PHE 85 Ca 0.00 -0.68 0.33 0.00 0.12 0.00 0.00 56.93 56.69 1pls s PHE 85 Cb 0.00 -2.09 1.82 0.00 -0.57 0.00 0.00 43.02 42.17 1pls s PHE 85 CO 0.00 -0.56 2.11 1.25 -0.10 0.00 0.00 175.22 177.92 1pls h LEU 86 N 0.67 0.00 0.24 -0.37 5.85 -1.96 0.39 115.31 120.12 1pls h LEU 86 Ca -0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1pls h LEU 86 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1pls h LEU 86 CO 0.52 0.00 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.43 1pls h GLU 87 N 0.00 -0.31 0.00 1.25 4.22 -1.99 -1.89 114.58 115.86 1pls h GLU 87 Ca 0.05 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1pls h GLU 87 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pls h GLU 87 CO -0.00 -0.20 0.00 1.49 -2.18 0.00 0.00 179.01 178.11 1pls h GLU 88 N -0.48 0.00 0.27 1.92 4.81 -1.86 -2.21 114.58 117.03 1pls h GLU 88 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1pls h GLU 88 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1pls h GLU 88 CO 0.05 0.00 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.12 1pls h ARG 89 N 0.00 -0.34 0.00 1.92 2.43 -0.80 -1.71 114.38 115.87 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 0.11 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pls h ARG 89 CO 0.00 -0.23 0.00 -3.47 -1.51 0.00 0.00 179.97 174.76 1pls n ASP 90 N -3.89 0.34 0.04 -3.80 -0.08 -0.72 -0.80 116.55 107.65 1pls n ASP 90 Ca -0.04 0.64 -0.09 0.00 -1.51 0.00 0.00 54.79 53.79 1pls n ASP 90 Cb 0.14 -0.69 -0.13 0.00 2.34 0.00 0.00 41.12 42.78 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 2.07 0.42 0.00 -1.67 0.00 -1.30 -2.55 119.26 116.24 1pls h ALA 91 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 54.91 53.64 1pls h ALA 91 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1pls h ALA 91 CO 0.00 1.30 -1.17 -1.49 0.00 0.00 0.00 179.25 177.89 1pls h TRP 92 N 0.01 0.00 -0.03 0.00 4.06 -0.01 -2.20 115.95 117.79 1pls h TRP 92 Ca -0.10 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.62 1pls h TRP 92 Cb 1.86 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.03 1pls h TRP 92 CO 0.01 0.87 -0.91 -0.39 -3.56 0.00 0.00 178.44 174.46 1pls h VAL 93 N 0.00 1.36 0.00 1.49 -1.51 -1.31 -2.03 116.25 114.26 1pls h VAL 93 Ca -0.10 -2.32 -0.11 0.00 -1.23 0.00 0.00 66.70 62.93 1pls h VAL 93 Cb 1.76 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 33.22 1pls h VAL 93 CO 0.10 0.70 -0.80 0.08 -1.23 0.00 0.00 177.57 176.42 1pls h ARG 94 N 0.30 0.00 0.03 5.19 0.11 -1.55 -1.92 114.38 116.54 1pls h ARG 94 Ca -0.08 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.88 1pls h ARG 94 Cb 1.54 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.63 1pls h ARG 94 CO 0.16 0.38 -0.51 0.22 0.10 0.00 0.00 179.97 180.33 1pls h ASP 95 N 0.00 0.39 0.03 0.08 1.82 -1.40 -0.83 116.42 116.50 1pls h ASP 95 Ca -0.05 -0.83 -0.21 0.00 -0.39 0.00 0.00 57.03 55.54 1pls h ASP 95 Cb 1.41 -0.12 0.02 0.00 0.68 0.00 0.00 39.33 41.31 1pls h ASP 95 CO 0.05 1.17 -0.86 0.40 -1.61 0.00 0.00 179.24 178.40 1pls h ILE 96 N -0.35 1.37 -0.06 2.25 2.04 -1.49 -1.82 117.51 119.45 1pls h ILE 96 Ca -0.07 -2.23 -0.11 0.00 1.00 0.00 0.00 64.86 63.45 1pls h ILE 96 Cb 1.28 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 1pls h ILE 96 CO 0.10 0.66 -0.45 -1.13 0.00 0.00 0.00 178.15 177.33 1pls h ASN 97 N 0.09 0.15 0.02 1.72 -0.73 -1.47 -2.25 115.58 113.11 1pls h ASN 97 Ca -0.12 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 57.99 1pls h ASN 97 Cb 1.55 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 40.10 1pls h ASN 97 CO 0.17 0.59 -0.01 0.50 -0.37 0.00 0.00 177.43 178.30 1pls h LYS 98 N 0.12 -0.02 -0.84 6.67 3.11 -1.18 -1.18 116.57 123.25 1pls h LYS 98 Ca 0.01 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.96 1pls h LYS 98 Cb 0.85 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.01 1pls h LYS 98 CO 0.07 0.70 0.48 0.00 -2.81 0.00 0.00 179.45 177.88 1pls h ALA 99 N 0.13 1.23 -0.34 5.00 0.00 -1.33 0.20 119.26 124.15 1pls h ALA 99 Ca -0.00 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1pls h ALA 99 Cb 0.73 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pls h ALA 99 CO 0.00 0.06 -0.44 0.82 0.00 0.00 0.00 179.25 179.70 1pls h ILE 100 N 0.77 1.28 0.00 0.00 2.04 -1.45 -1.23 117.51 118.92 1pls h ILE 100 Ca 0.42 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1pls h ILE 100 Cb 0.44 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1pls h ILE 100 CO -0.28 0.53 0.00 1.17 0.00 0.00 0.00 178.15 179.58 1pls n LYS 101 N -4.04 0.07 -0.06 2.37 4.81 -0.38 -2.63 118.16 118.31 1pls n LYS 101 Ca -0.03 0.28 -0.13 0.00 -0.87 0.00 0.00 58.31 57.56 1pls n LYS 101 Cb 0.57 -1.63 -0.14 0.00 0.02 0.00 0.00 35.03 33.85 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 0.01 0.00 0.00 0.00 1.08 -0.99 -1.00 117.51 116.61 1pls h ILE 103 Ca -0.45 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1pls h ILE 103 Cb 2.07 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1pls h ILE 103 CO 0.03 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.87 1pls n GLU 104 N -2.59 0.48 -0.38 2.37 1.02 -1.17 -3.26 120.64 117.11 1pls n GLU 104 Ca 0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1pls n GLU 104 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.41 0.38 2.79 0.62 0.00 -0.64 -4.95 105.19 103.80 1pls n GLY 105 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 5.81 -4.72 0.99 7.99 -0.47 -5.04 117.00 121.56 1pls n LEU 106 Ca 0.00 -5.53 -0.42 0.00 -0.01 0.00 0.00 56.01 50.05 1pls n LEU 106 Cb 0.57 -0.86 -0.03 0.00 -0.11 0.00 0.00 43.42 42.99 1pls n LEU 106 CO 0.00 2.19 1.29 -1.61 -1.51 0.00 0.00 177.39 177.75 1pls s GLU 107 N -3.80 4.18 -0.60 3.23 2.02 -1.26 -4.93 118.70 117.55 1pls s GLU 107 Ca 0.44 2.45 0.06 0.00 0.02 0.00 0.00 54.97 57.94 1pls s GLU 107 Cb 0.23 -3.16 0.24 0.00 0.10 0.00 0.00 34.13 31.54 1pls s GLU 107 CO -0.12 -0.67 0.69 -2.39 0.02 0.00 0.00 175.26 172.79 1pls n HIS 108 N 4.11 2.86 -1.17 1.61 1.44 -1.26 -4.89 115.22 117.93 1pls n HIS 108 Ca 0.15 -4.05 -0.28 0.00 -2.01 0.00 0.00 57.72 51.53 1pls n HIS 108 Cb 0.37 -0.52 0.11 0.00 0.12 0.00 0.00 29.99 30.08 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1pls n HIS 109 N 1.03 2.91 -3.94 -1.40 8.25 -1.26 -4.87 115.22 115.94 1pls n HIS 109 Ca 0.28 -2.39 -0.35 0.00 -0.26 0.00 0.00 57.72 55.00 1pls n HIS 109 Cb 0.43 -1.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.22 1pls n HIS 109 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1pls s HIS 110 N -3.31 3.08 -0.21 4.41 2.46 -1.26 -5.04 115.29 115.42 1pls s HIS 110 Ca 0.57 -1.51 0.00 0.00 0.47 0.00 0.00 55.06 54.58 1pls s HIS 110 Cb 0.46 -2.08 0.00 0.00 -0.13 0.00 0.00 32.58 30.83 1pls s HIS 110 CO 0.04 -0.72 0.00 1.58 -2.47 0.00 0.00 174.74 173.17 1pls n HIS 111 N 4.68 0.00 0.00 3.88 -0.00 -1.26 -5.06 115.22 117.47 1pls n HIS 111 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1pls n HIS 111 Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1pls n HIS 111 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 112 N 0.37 0.00 -0.89 1.57 8.25 -1.26 -5.32 115.22 117.95 1pls n HIS 112 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pls n HIS 112 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56