#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls s GLU 2 N 0.00 3.32 0.00 0.03 0.41 -1.26 -5.10 118.70 116.10 1pls s GLU 2 Ca 0.00 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 1pls s GLU 2 Cb 0.00 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1pls s GLU 2 CO 0.00 0.34 0.00 -2.30 -0.49 0.00 0.00 175.26 172.81 1pls n PRO 3 N -1.44 0.29 -3.70 0.39 -0.02 -1.26 -4.91 135.00 124.35 1pls n PRO 3 Ca -0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 1pls n PRO 3 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.96 1pls n PRO 3 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1pls s LYS 4 N -1.25 2.52 0.86 -0.52 -2.85 -1.26 -5.08 119.74 112.16 1pls s LYS 4 Ca 0.00 -2.36 -0.16 0.00 -1.00 0.00 0.00 55.97 52.44 1pls s LYS 4 Cb 0.00 -3.76 -0.10 0.00 -2.06 0.00 0.00 37.83 31.91 1pls s LYS 4 CO 0.00 -1.16 -0.28 0.54 0.10 0.00 0.00 175.35 174.54 1pls n ARG 5 N 3.78 -0.00 0.04 1.78 1.74 -1.26 -4.91 116.66 117.83 1pls n ARG 5 Ca 0.05 0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1pls n ARG 5 Cb 0.39 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1pls h ILE 6 N -0.82 0.25 -3.30 0.55 2.04 -1.47 -3.45 117.51 111.31 1pls h ILE 6 Ca -0.44 -0.98 -0.52 0.00 1.00 0.00 0.00 64.86 63.92 1pls h ILE 6 Cb 1.33 0.44 -0.39 0.00 -0.74 0.00 0.00 36.82 37.46 1pls h ILE 6 CO 0.31 0.07 -0.77 -0.60 0.00 0.00 0.00 178.15 177.17 1pls s ARG 7 N -2.45 0.82 -0.09 2.37 6.06 -1.00 -4.99 118.95 119.67 1pls s ARG 7 Ca -0.06 -0.41 0.04 0.00 -2.50 0.00 0.00 55.73 52.80 1pls s ARG 7 Cb 0.00 -2.00 -0.01 0.00 0.06 0.00 0.00 34.95 33.01 1pls s ARG 7 CO 0.20 -0.57 -0.21 -1.83 -2.50 0.00 0.00 175.30 170.38 1pls s GLU 8 N 1.81 2.92 0.00 5.12 1.03 -1.26 -1.49 118.70 126.82 1pls s GLU 8 Ca -0.00 -0.83 0.00 0.00 0.03 0.00 0.00 54.97 54.16 1pls s GLU 8 Cb -0.16 -2.33 0.00 0.00 -0.80 0.00 0.00 34.13 30.84 1pls s GLU 8 CO -0.07 0.29 0.00 0.41 -1.33 0.00 0.00 175.26 174.55 1pls n GLY 9 N 3.24 3.52 2.56 -3.83 0.00 -0.68 -5.00 105.19 105.01 1pls n GLY 9 Ca -0.18 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.71 0.29 0.47 1.61 1.13 -1.26 -2.17 117.35 116.71 1pls s TYR 10 Ca 0.00 -0.99 0.03 0.00 -1.41 0.00 0.00 57.07 54.69 1pls s TYR 10 Cb 0.00 -0.82 -0.03 0.00 -1.10 0.00 0.00 41.96 40.02 1pls s TYR 10 CO 0.00 -0.85 0.02 -0.51 -2.51 0.00 0.00 175.55 171.70 1pls s LEU 11 N 1.81 2.37 0.03 -3.49 2.01 -0.32 -4.73 118.68 116.35 1pls s LEU 11 Ca 0.12 -1.59 0.00 0.00 0.01 0.00 0.00 54.13 52.67 1pls s LEU 11 Cb -0.18 -0.68 -0.04 0.00 0.01 0.00 0.00 46.19 45.31 1pls s LEU 11 CO -0.24 -0.78 0.12 0.54 1.01 0.00 0.00 176.35 177.01 1pls s VAL 12 N -2.90 4.93 0.53 -1.59 0.11 -0.99 0.44 120.40 120.93 1pls s VAL 12 Ca 0.15 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1pls s VAL 12 Cb 0.04 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1pls s VAL 12 CO 0.08 0.25 0.06 -0.54 -3.33 0.00 0.00 175.10 171.62 1pls s LYS 13 N -2.07 2.23 -0.45 1.54 -0.14 -0.95 -1.42 119.74 118.48 1pls s LYS 13 Ca 0.27 -2.40 0.09 0.00 -1.36 0.00 0.00 55.97 52.57 1pls s LYS 13 Cb -0.12 -1.59 0.31 0.00 -1.68 0.00 0.00 37.83 34.75 1pls s LYS 13 CO 0.19 -0.45 0.72 1.17 -0.76 0.00 0.00 175.35 176.22 1pls n LYS 14 N -1.38 1.55 -3.66 1.68 4.81 0.15 -2.60 118.16 118.72 1pls n LYS 14 Ca -0.19 -3.80 -0.09 0.00 -0.87 0.00 0.00 58.31 53.36 1pls n LYS 14 Cb 0.67 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 33.89 1pls n LYS 14 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1pls s GLY 15 N -2.30 -0.53 0.00 3.14 0.00 -1.26 -4.51 107.32 101.86 1pls s GLY 15 Ca 0.40 2.09 0.00 0.00 0.00 0.00 0.00 44.72 47.21 1pls s GLY 15 CO -0.09 2.08 0.00 -1.26 0.00 0.00 0.00 173.10 173.83 1pls n SER 16 N 4.05 0.00 -0.10 1.64 2.88 -1.26 -4.95 113.62 115.88 1pls n SER 16 Ca -0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.24 1pls n SER 16 Cb 0.57 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.88 1pls n SER 16 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pls n VAL 17 N 0.00 1.34 -3.87 2.46 3.14 -1.26 -5.07 118.33 115.07 1pls n VAL 17 Ca 0.00 -0.81 0.01 0.00 -2.96 0.00 0.00 64.34 60.59 1pls n VAL 17 Cb 0.00 -0.55 0.01 0.00 -1.06 0.00 0.00 33.84 32.24 1pls n VAL 17 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1pls s PHE 18 N -2.47 0.01 -0.77 1.45 0.08 -1.26 -5.07 117.98 109.95 1pls s PHE 18 Ca -0.11 -0.18 -0.32 0.00 0.12 0.00 0.00 56.93 56.44 1pls s PHE 18 Cb 0.06 0.58 -0.17 0.00 -0.57 0.00 0.00 43.02 42.92 1pls s PHE 18 CO 0.78 -0.39 2.53 0.27 -0.10 0.00 0.00 175.22 178.30 1pls n ASN 19 N -0.93 0.98 -2.51 1.36 6.94 -1.26 -4.70 115.26 115.14 1pls n ASN 19 Ca -0.01 0.10 -0.13 0.00 -0.02 0.00 0.00 54.58 54.52 1pls n ASN 19 Cb 0.60 -1.10 -0.04 0.00 -2.36 0.00 0.00 39.78 36.87 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1pls n THR 20 N 7.48 0.00 -3.23 5.53 -2.24 -1.26 -5.08 114.28 115.48 1pls n THR 20 Ca 0.56 -1.56 -0.02 0.00 -2.27 0.00 0.00 64.05 60.76 1pls n THR 20 Cb 0.16 0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 -3.15 -1.34 -0.02 4.78 0.52 -1.26 -4.14 118.94 114.34 1pls s TRP 21 Ca 0.25 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.43 1pls s TRP 21 Cb 0.01 0.22 0.01 0.00 -1.15 0.00 0.00 33.47 32.56 1pls s TRP 21 CO 0.18 -0.91 -0.02 0.15 0.02 0.00 0.00 176.95 176.37 1pls s LYS 22 N 2.71 0.29 1.07 4.98 1.02 -1.07 -4.93 119.74 123.81 1pls s LYS 22 Ca 0.14 -0.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.93 1pls s LYS 22 Cb -0.13 -0.37 0.07 0.00 -0.52 0.00 0.00 37.83 36.88 1pls s LYS 22 CO -0.23 -0.03 0.06 -2.30 -0.92 0.00 0.00 175.35 171.93 1pls n PRO 23 N 3.54 -1.18 0.00 -1.68 -0.02 -1.26 -2.24 135.00 132.16 1pls n PRO 23 Ca -0.19 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1pls n PRO 23 Cb 0.55 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls n MET 24 N -1.77 0.00 -3.35 -0.52 0.00 0.17 -4.74 117.12 106.91 1pls n MET 24 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.37 1pls n MET 24 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.76 1pls n MET 24 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1pls s TRP 25 N -2.00 3.60 -0.15 3.17 -0.11 -0.16 -1.17 118.94 122.11 1pls s TRP 25 Ca 0.00 1.06 -0.11 0.00 1.22 0.00 0.00 56.10 58.27 1pls s TRP 25 Cb 0.00 -2.37 0.05 0.00 -1.50 0.00 0.00 33.47 29.65 1pls s TRP 25 CO 0.00 0.42 0.39 0.54 -4.62 0.00 0.00 176.95 173.68 1pls s VAL 26 N -1.48 -0.01 -0.30 5.86 0.11 -0.92 -0.03 120.40 123.62 1pls s VAL 26 Ca 0.38 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1pls s VAL 26 Cb -0.15 -0.57 0.09 0.00 -1.53 0.00 0.00 36.38 34.22 1pls s VAL 26 CO 0.19 0.02 0.03 0.68 -3.33 0.00 0.00 175.10 172.69 1pls s VAL 27 N 0.76 1.61 -0.30 2.04 -7.23 -0.99 -1.68 120.40 114.60 1pls s VAL 27 Ca -0.04 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 1pls s VAL 27 Cb -0.06 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.81 1pls s VAL 27 CO -0.06 -0.46 0.97 -1.48 -0.31 0.00 0.00 175.10 173.76 1pls s LEU 28 N 1.28 4.01 0.36 1.32 2.34 -0.56 -2.28 118.68 125.14 1pls s LEU 28 Ca 0.05 0.95 0.07 0.00 0.06 0.00 0.00 54.13 55.26 1pls s LEU 28 Cb -0.18 -3.37 -0.02 0.00 -0.56 0.00 0.00 46.19 42.05 1pls s LEU 28 CO -0.13 -0.76 0.34 -0.76 -1.06 0.00 0.00 176.35 173.99 1pls s LEU 29 N 3.34 3.60 0.38 1.48 1.02 -0.45 -1.15 118.68 126.91 1pls s LEU 29 Ca 0.40 -0.51 0.27 0.00 0.02 0.00 0.00 54.13 54.32 1pls s LEU 29 Cb -0.13 -2.26 0.92 0.00 0.02 0.00 0.00 46.19 44.73 1pls s LEU 29 CO 0.13 -0.44 1.79 -0.33 0.02 0.00 0.00 176.35 177.52 1pls h GLU 30 N 1.13 0.00 -0.56 1.70 5.08 -1.93 -2.53 114.58 117.48 1pls h GLU 30 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1pls h GLU 30 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pls h GLU 30 CO 0.57 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 1pls n ASP 31 N -2.71 3.35 0.00 1.42 5.68 -1.26 -4.70 116.55 118.32 1pls n ASP 31 Ca 0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1pls n ASP 31 Cb 0.36 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pls n GLY 32 N 1.50 4.61 3.54 6.12 0.00 -0.95 -4.77 105.19 115.23 1pls n GLY 32 Ca 0.21 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.01 5.10 -0.22 -0.61 1.09 -0.62 -1.34 121.20 122.60 1pls s ILE 33 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 1pls s ILE 33 Cb 0.00 -3.48 0.03 0.00 -1.06 0.00 0.00 42.46 37.95 1pls s ILE 33 CO 0.00 0.19 -0.13 -1.83 -0.10 0.00 0.00 174.94 173.07 1pls s GLU 34 N 1.72 2.79 0.13 2.79 -1.05 -0.97 -0.95 118.70 123.16 1pls s GLU 34 Ca 0.06 -0.99 0.09 0.00 -0.15 0.00 0.00 54.97 53.99 1pls s GLU 34 Cb -0.16 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.68 1pls s GLU 34 CO 0.09 -0.35 -0.17 -0.59 0.95 0.00 0.00 175.26 175.19 1pls s PHE 35 N 1.27 2.54 0.00 4.83 -0.12 -0.99 -2.35 117.98 123.16 1pls s PHE 35 Ca 0.00 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 1pls s PHE 35 Cb -0.16 -1.33 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 1pls s PHE 35 CO -0.08 0.41 0.00 0.66 -0.05 0.00 0.00 175.22 176.16 1pls n TYR 36 N 0.69 0.00 -0.07 3.49 4.02 0.95 -2.31 117.16 123.93 1pls n TYR 36 Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.54 1pls n TYR 36 Cb 0.53 0.00 -0.13 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 0.69 -2.38 -0.72 5.02 -1.26 -0.99 118.16 118.52 1pls n LYS 37 Ca 0.00 0.23 -0.07 0.00 -2.02 0.00 0.00 58.31 56.45 1pls n LYS 37 Cb 0.00 -1.61 -0.01 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 -0.52 0.00 0.00 177.40 178.51 1pls n LYS 38 N -3.50 1.54 -0.10 1.97 5.02 -1.26 -1.91 118.16 119.91 1pls n LYS 38 Ca -0.40 -0.84 0.26 0.00 -2.02 0.00 0.00 58.31 55.30 1pls n LYS 38 Cb 0.99 0.17 0.56 0.00 -0.02 0.00 0.00 35.03 36.73 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 -1.94 -3.36 116.57 114.87 1pls h LYS 39 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1pls h LYS 39 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1pls h LYS 39 CO 0.15 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.58 1pls n SER 40 N -3.41 0.00 -0.18 4.20 7.64 -1.26 -4.94 113.62 115.67 1pls n SER 40 Ca 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 1pls n SER 40 Cb 1.20 0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 64.65 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 -2.21 -5.70 -1.45 6.43 2.03 -1.26 -2.81 116.55 111.58 1pls n ASP 41 Ca 0.00 0.06 -0.04 0.00 0.52 0.00 0.00 54.79 55.33 1pls n ASP 41 Cb 0.00 -3.41 -0.01 0.00 -0.72 0.00 0.00 41.12 36.98 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 -1.15 -3.21 1.67 4.13 -1.26 -4.78 115.26 109.72 1pls n ASN 42 Ca -0.02 0.17 0.04 0.00 1.68 0.00 0.00 54.58 56.44 1pls n ASN 42 Cb 0.48 -1.34 -0.02 0.00 -1.54 0.00 0.00 39.78 37.36 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 -1.48 -1.13 0.15 6.41 0.15 -1.13 -5.14 113.70 111.55 1pls s SER 43 Ca 0.00 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.16 1pls s SER 43 Cb 0.00 1.99 -0.08 0.00 -1.71 0.00 0.00 66.02 66.22 1pls s SER 43 CO 0.00 -0.21 1.25 -2.16 1.20 0.00 0.00 173.24 173.31 1pls s PRO 44 N 2.87 4.44 0.14 5.44 0.04 -1.26 -4.52 135.00 142.13 1pls s PRO 44 Ca 0.13 1.92 0.19 0.00 0.04 0.00 0.00 61.00 63.27 1pls s PRO 44 Cb -0.13 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1pls s PRO 44 CO -0.18 -0.20 0.95 -0.22 0.04 0.00 0.00 177.00 177.39 1pls h LYS 45 N 5.78 0.00 0.00 4.56 3.64 -1.78 -3.49 116.57 125.28 1pls h LYS 45 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1pls h LYS 45 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1pls h LYS 45 CO 0.78 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 178.54 1pls n GLY 46 N 1.29 1.09 2.88 5.01 0.00 -1.22 -5.08 105.19 109.17 1pls n GLY 46 Ca -0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1pls n GLY 46 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pls s MET 47 N -2.00 0.28 -0.13 1.61 -1.94 -1.26 -2.35 119.30 113.51 1pls s MET 47 Ca 0.00 -0.03 -0.06 0.00 -1.71 0.00 0.00 55.69 53.89 1pls s MET 47 Cb 0.00 -0.35 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 1pls s MET 47 CO 0.00 -0.02 0.10 0.42 -0.01 0.00 0.00 175.02 175.51 1pls s ILE 48 N 0.40 5.16 -0.65 2.53 1.01 -0.12 -4.95 121.20 124.57 1pls s ILE 48 Ca -0.04 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 1pls s ILE 48 Cb -0.07 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1pls s ILE 48 CO -0.01 0.58 1.80 -2.16 0.00 0.00 0.00 174.94 175.15 1pls s PRO 49 N -0.68 2.69 0.00 2.79 0.04 -1.26 -1.58 135.00 137.00 1pls s PRO 49 Ca 0.12 0.43 0.10 0.00 0.04 0.00 0.00 61.00 61.70 1pls s PRO 49 Cb -0.12 -4.43 0.54 0.00 0.04 0.00 0.00 34.50 30.54 1pls s PRO 49 CO 0.02 -2.72 1.19 1.47 0.04 0.00 0.00 177.00 177.01 1pls n LEU 50 N 12.45 0.00 -2.16 -3.56 -0.00 -1.26 -2.75 117.00 119.71 1pls n LEU 50 Ca 0.20 0.23 -0.18 0.00 -0.00 0.00 0.00 56.01 56.26 1pls n LEU 50 Cb 0.51 -0.23 -0.09 0.00 -0.00 0.00 0.00 43.42 43.62 1pls n LEU 50 CO 0.70 -0.15 1.52 2.29 -0.00 0.00 0.00 177.39 181.75 1pls n LYS 51 N -1.23 2.07 0.00 1.47 2.85 -1.26 -3.94 118.16 118.13 1pls n LYS 51 Ca 0.06 -1.55 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 1pls n LYS 51 Cb 0.07 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 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 1.53 0.55 3.35 2.58 0.00 -1.24 -4.83 105.19 107.13 1pls n GLY 52 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -2.18 -4.86 1.61 2.88 -1.11 -3.86 113.62 106.09 1pls n SER 53 Ca 0.00 0.83 -0.21 0.00 -1.33 0.00 0.00 58.87 58.16 1pls n SER 53 Cb 0.00 -0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 1pls n SER 53 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pls s THR 54 N -1.63 4.04 0.08 2.46 -1.32 -0.21 -4.79 115.64 114.28 1pls s THR 54 Ca 0.61 -1.33 0.09 0.00 -1.21 0.00 0.00 61.69 59.84 1pls s THR 54 Cb -0.61 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 1pls s THR 54 CO 0.61 -0.25 -0.21 -0.22 -2.21 0.00 0.00 174.62 172.34 1pls s LEU 55 N -3.95 2.51 -0.14 9.08 1.98 -1.26 -1.29 118.68 125.60 1pls s LEU 55 Ca 0.38 -0.55 -0.07 0.00 -2.89 0.00 0.00 54.13 51.00 1pls s LEU 55 Cb -0.07 -1.43 0.05 0.00 0.66 0.00 0.00 46.19 45.40 1pls s LEU 55 CO 0.26 0.22 0.34 -0.89 -1.89 0.00 0.00 176.35 174.39 1pls s THR 56 N -0.99 -0.06 -0.17 3.68 2.01 -0.85 -4.93 115.64 114.33 1pls s THR 56 Ca 0.15 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1pls s THR 56 Cb -0.10 -0.51 0.07 0.00 0.01 0.00 0.00 72.50 71.96 1pls s THR 56 CO 0.06 0.05 0.38 -0.44 -0.69 0.00 0.00 174.62 173.98 1pls s SER 57 N 1.41 -0.35 0.00 3.53 0.01 -1.26 -1.80 113.70 115.23 1pls s SER 57 Ca -0.09 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1pls s SER 57 Cb -0.09 0.86 0.00 0.00 0.21 0.00 0.00 66.02 66.99 1pls s SER 57 CO -0.11 -0.20 0.00 -2.65 0.41 0.00 0.00 173.24 170.69 1pls n PRO 58 N 4.62 2.29 0.00 12.44 -0.02 -1.26 -5.11 135.00 147.95 1pls n PRO 58 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1pls n PRO 58 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls n GLN 60 N 0.00 -2.72 -0.11 0.00 6.02 -1.26 -4.87 117.38 114.44 1pls n GLN 60 Ca 0.00 -0.79 0.10 0.00 -0.01 0.00 0.00 57.00 56.30 1pls n GLN 60 Cb 0.00 -1.80 0.32 0.00 1.02 0.00 0.00 30.24 29.79 1pls n GLN 60 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1pls n ASP 61 N -3.24 2.03 -2.15 1.08 5.68 -1.26 -4.28 116.55 114.43 1pls n ASP 61 Ca 0.05 -1.79 -0.20 0.00 -0.50 0.00 0.00 54.79 52.35 1pls n ASP 61 Cb 0.54 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1pls n ASP 61 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1pls n PHE 62 N 0.57 1.36 0.00 2.11 -1.74 -1.26 -3.80 117.46 114.70 1pls n PHE 62 Ca 0.16 -1.87 0.00 0.00 -0.56 0.00 0.00 57.45 55.18 1pls n PHE 62 Cb 0.38 -1.18 0.00 0.00 1.52 0.00 0.00 39.48 40.20 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pls n GLY 63 N 0.83 0.00 3.57 4.97 0.00 -1.26 -5.07 105.19 108.22 1pls n GLY 63 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1pls n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pls s LYS 64 N 0.00 2.51 0.00 1.61 2.47 -1.25 -4.34 119.74 120.74 1pls s LYS 64 Ca 0.00 -0.70 0.05 0.00 -1.56 0.00 0.00 55.97 53.76 1pls s LYS 64 Cb 0.00 -5.15 0.09 0.00 -1.46 0.00 0.00 37.83 31.31 1pls s LYS 64 CO 0.00 -3.69 0.90 -2.13 0.16 0.00 0.00 175.35 170.59 1pls n ARG 65 N 8.58 0.00 -1.29 4.03 3.00 -1.26 -5.14 116.66 124.58 1pls n ARG 65 Ca 0.42 -0.94 0.15 0.00 -0.00 0.00 0.00 57.85 57.49 1pls n ARG 65 Cb 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 32.46 32.71 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1pls n MET 66 N 0.10 -3.00 0.00 -0.14 2.81 -1.26 -4.76 117.12 110.87 1pls n MET 66 Ca -0.03 2.46 0.00 0.00 -1.81 0.00 0.00 57.70 58.33 1pls n MET 66 Cb 0.74 -3.50 0.00 0.00 -0.71 0.00 0.00 33.22 29.75 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 -4.07 0.00 -3.44 2.03 3.72 -1.26 -4.91 117.46 109.53 1pls n PHE 67 Ca -0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 1pls n PHE 67 Cb 0.61 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.47 5.12 0.26 -4.37 0.11 -1.26 -1.50 120.40 118.29 1pls s VAL 68 Ca 0.00 0.85 0.03 0.00 -2.93 0.00 0.00 61.98 59.93 1pls s VAL 68 Cb 0.00 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1pls s VAL 68 CO 0.00 0.46 0.13 2.22 -3.33 0.00 0.00 175.10 174.58 1pls n PHE 69 N 2.71 -0.09 -3.63 1.54 -1.74 -0.68 -3.79 117.46 111.78 1pls n PHE 69 Ca -0.11 -1.81 -0.10 0.00 -0.56 0.00 0.00 57.45 54.87 1pls n PHE 69 Cb 0.52 0.06 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 1pls n PHE 69 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1pls s LYS 70 N -3.01 0.26 0.35 3.97 -2.85 -0.75 -2.27 119.74 115.45 1pls s LYS 70 Ca 0.18 0.88 0.03 0.00 -1.00 0.00 0.00 55.97 56.05 1pls s LYS 70 Cb 0.01 0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.87 1pls s LYS 70 CO 0.13 -0.31 0.53 0.42 0.10 0.00 0.00 175.35 176.22 1pls s ILE 71 N 2.54 4.53 -0.44 3.79 1.01 -0.65 -2.01 121.20 129.96 1pls s ILE 71 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1pls s ILE 71 Cb -0.12 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.85 1pls s ILE 71 CO -0.12 -0.34 0.22 -0.89 0.00 0.00 0.00 174.94 173.81 1pls s THR 72 N -2.28 1.64 0.37 2.92 2.01 -0.41 -1.05 115.64 118.84 1pls s THR 72 Ca 0.43 -2.59 -0.23 0.00 0.31 0.00 0.00 61.69 59.60 1pls s THR 72 Cb -0.10 -2.16 -0.14 0.00 0.01 0.00 0.00 72.50 70.11 1pls s THR 72 CO 0.34 -0.84 0.40 0.35 -0.69 0.00 0.00 174.62 174.18 1pls n THR 73 N 3.62 1.42 -0.51 -0.82 -2.24 -0.86 -1.04 114.28 113.85 1pls n THR 73 Ca 0.07 -0.50 0.42 0.00 -2.27 0.00 0.00 64.05 61.76 1pls n THR 73 Cb 0.35 -0.28 0.70 0.00 -2.10 0.00 0.00 70.33 69.00 1pls n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pls h THR 74 N 0.72 0.06 0.00 4.28 1.03 -1.78 -1.84 112.91 115.37 1pls h THR 74 Ca -0.37 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1pls h THR 74 Cb 1.42 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1pls h THR 74 CO 0.51 0.01 0.00 0.29 -0.01 0.00 0.00 175.52 176.32 1pls n LYS 75 N -4.55 0.00 0.00 0.00 5.02 -1.26 -4.95 118.16 112.42 1pls n LYS 75 Ca 0.40 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1pls n LYS 75 Cb 1.60 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1pls n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls n GLN 76 N -1.26 0.00 -3.73 1.97 10.64 -0.69 -5.13 117.38 119.17 1pls n GLN 76 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 1pls n GLN 76 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 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 3.58 -0.63 2.61 -1.52 -1.26 -4.90 119.66 117.54 1pls s GLN 77 Ca 0.00 -0.54 -0.26 0.00 -1.95 0.00 0.00 55.36 52.62 1pls s GLN 77 Cb 0.00 -3.38 0.04 0.00 -0.22 0.00 0.00 33.01 29.45 1pls s GLN 77 CO 0.00 -0.24 1.10 -0.51 -0.25 0.00 0.00 175.29 175.39 1pls s ASP 78 N 1.61 6.29 -0.54 5.90 1.01 -1.26 -2.03 116.67 127.66 1pls s ASP 78 Ca 0.06 -0.37 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 1pls s ASP 78 Cb -0.16 -2.50 0.05 0.00 1.01 0.00 0.00 42.92 41.33 1pls s ASP 78 CO 0.04 -1.50 0.81 -1.00 0.21 0.00 0.00 175.17 173.74 1pls s HIS 79 N 4.71 2.90 -0.30 4.23 3.76 -0.21 -4.84 115.29 125.53 1pls s HIS 79 Ca 0.33 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.81 1pls s HIS 79 Cb -0.11 -3.86 -0.02 0.00 1.11 0.00 0.00 32.58 29.70 1pls s HIS 79 CO 0.18 -1.23 0.44 -0.06 -0.85 0.00 0.00 174.74 173.22 1pls s PHE 80 N 3.39 3.23 -0.01 1.40 0.40 -1.26 -1.64 117.98 123.49 1pls s PHE 80 Ca 0.23 0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 1pls s PHE 80 Cb -0.16 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.66 1pls s PHE 80 CO 0.16 -0.35 -0.04 -0.59 0.70 0.00 0.00 175.22 175.10 1pls s PHE 81 N 2.20 0.37 0.07 0.36 -0.12 -0.96 0.34 117.98 120.24 1pls s PHE 81 Ca 0.17 -0.07 0.09 0.00 -0.05 0.00 0.00 56.93 57.07 1pls s PHE 81 Cb -0.16 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1pls s PHE 81 CO 0.11 -0.02 -0.22 1.14 -0.05 0.00 0.00 175.22 176.17 1pls s GLN 82 N 0.04 1.84 0.00 1.99 -2.07 -0.51 -1.69 119.66 119.26 1pls s GLN 82 Ca 0.00 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.43 1pls s GLN 82 Cb -0.03 -2.07 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 1pls s GLN 82 CO -0.00 0.51 0.00 0.00 -1.32 0.00 0.00 175.29 174.48 1pls n ALA 83 N 1.42 0.00 0.58 2.60 0.00 -0.56 -2.34 120.51 122.21 1pls n ALA 83 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1pls n ALA 83 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 2.73 -3.72 0.00 0.00 -1.26 -4.85 120.51 110.41 1pls n ALA 84 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1pls n ALA 84 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.39 -0.10 0.31 0.00 -0.12 -1.26 -5.02 117.98 110.39 1pls s PHE 85 Ca 0.14 -0.15 0.10 0.00 -0.05 0.00 0.00 56.93 56.97 1pls s PHE 85 Cb 0.11 0.61 0.50 0.00 -0.63 0.00 0.00 43.02 43.61 1pls s PHE 85 CO 0.25 -0.68 1.70 1.25 -0.05 0.00 0.00 175.22 177.70 1pls h LEU 86 N 2.00 0.08 0.66 -1.99 5.85 -1.95 -0.72 115.31 119.24 1pls h LEU 86 Ca -0.26 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1pls h LEU 86 Cb 1.22 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.24 1pls h LEU 86 CO 0.26 0.55 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.52 1pls h GLU 87 N 0.06 -0.86 0.00 1.25 4.81 -2.00 -1.44 114.58 116.41 1pls h GLU 87 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1pls h GLU 87 Cb 0.88 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1pls h GLU 87 CO 0.07 -0.55 0.00 1.49 -0.73 0.00 0.00 179.01 179.28 1pls h GLU 88 N -0.95 0.00 0.34 1.92 4.81 -1.95 -2.32 114.58 116.44 1pls h GLU 88 Ca -0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1pls h GLU 88 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1pls h GLU 88 CO 0.15 0.00 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.17 1pls h ARG 89 N 0.00 -0.45 0.00 1.92 2.43 -0.14 -0.36 114.38 117.79 1pls h ARG 89 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1pls h ARG 89 Cb 0.35 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1pls h ARG 89 CO 0.00 -0.30 0.00 -3.47 -1.51 0.00 0.00 179.97 174.69 1pls n ASP 90 N -4.00 0.45 0.06 -3.80 2.03 -0.66 -1.39 116.55 109.23 1pls n ASP 90 Ca -0.06 0.63 -0.14 0.00 0.52 0.00 0.00 54.79 55.74 1pls n ASP 90 Cb 0.18 -0.72 -0.14 0.00 -0.72 0.00 0.00 41.12 39.73 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 2.27 0.31 0.00 -1.67 0.00 -1.34 -2.59 119.26 116.24 1pls h ALA 91 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 53.66 1pls h ALA 91 Cb 0.26 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1pls h ALA 91 CO 0.00 1.18 -0.94 -1.49 0.00 0.00 0.00 179.25 178.00 1pls h TRP 92 N 0.05 0.00 -0.01 0.00 4.06 -0.43 -2.55 115.95 117.06 1pls h TRP 92 Ca -0.19 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.57 1pls h TRP 92 Cb 1.96 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.11 1pls h TRP 92 CO 0.04 0.79 -0.85 -0.39 -3.56 0.00 0.00 178.44 174.48 1pls h VAL 93 N 0.00 1.45 0.00 1.49 -1.51 -1.30 -1.92 116.25 114.46 1pls h VAL 93 Ca -0.05 -2.47 -0.21 0.00 -1.23 0.00 0.00 66.70 62.75 1pls h VAL 93 Cb 1.65 2.37 -0.03 0.00 -2.13 0.00 0.00 31.29 33.15 1pls h VAL 93 CO 0.10 0.73 -0.98 0.03 -1.23 0.00 0.00 177.57 176.21 1pls h ARG 94 N 0.16 0.00 -0.00 5.19 2.47 -1.50 -0.45 114.38 120.23 1pls h ARG 94 Ca -0.05 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1pls h ARG 94 Cb 1.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1pls h ARG 94 CO 0.13 0.98 -0.06 -0.44 0.56 0.00 0.00 179.97 181.15 1pls h ASP 95 N 0.00 0.06 0.07 7.04 3.32 -1.43 0.14 116.42 125.62 1pls h ASP 95 Ca -0.01 -0.73 -0.18 0.00 0.02 0.00 0.00 57.03 56.12 1pls h ASP 95 Cb 1.74 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 1pls h ASP 95 CO 0.13 0.78 -0.67 0.40 -1.72 0.00 0.00 179.24 178.16 1pls h ILE 96 N -0.66 1.33 0.00 0.35 2.04 -1.45 -1.86 117.51 117.26 1pls h ILE 96 Ca -0.01 -1.97 -0.09 0.00 1.00 0.00 0.00 64.86 63.80 1pls h ILE 96 Cb 0.79 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1pls h ILE 96 CO 0.01 0.61 -0.42 -1.13 0.00 0.00 0.00 178.15 177.21 1pls h ASN 97 N 0.40 0.00 0.02 1.72 -0.00 -1.15 -2.59 115.58 113.99 1pls h ASN 97 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.15 1pls h ASN 97 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.58 1pls h ASN 97 CO 0.12 0.42 -0.54 0.50 -0.00 0.00 0.00 177.43 177.94 1pls h LYS 98 N 0.00 0.32 -0.41 6.67 1.63 -0.55 -1.33 116.57 122.91 1pls h LYS 98 Ca -0.00 -0.38 0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1pls h LYS 98 Cb 0.99 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 1pls h LYS 98 CO 0.06 1.08 0.27 0.00 -3.45 0.00 0.00 179.45 177.41 1pls h ALA 99 N 0.25 1.72 -0.06 5.00 0.00 -1.32 0.15 119.26 125.00 1pls h ALA 99 Ca -0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1pls h ALA 99 Cb 1.29 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.93 1pls h ALA 99 CO 0.11 0.26 -0.86 0.82 0.00 0.00 0.00 179.25 179.57 1pls h ILE 100 N 0.55 1.30 0.00 0.00 2.04 -1.45 -1.58 117.51 118.37 1pls h ILE 100 Ca 0.15 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1pls h ILE 100 Cb -0.05 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1pls h ILE 100 CO -0.03 0.65 0.00 1.17 0.00 0.00 0.00 178.15 179.94 1pls n LYS 101 N -3.96 0.14 -0.07 2.37 3.00 -0.50 -2.99 118.16 116.15 1pls n LYS 101 Ca -0.10 0.13 -0.20 0.00 -0.00 0.00 0.00 58.31 58.15 1pls n LYS 101 Cb 0.79 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 34.19 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pls h ILE 103 N -0.04 1.17 -0.84 0.00 1.08 -1.19 -0.22 117.51 117.47 1pls h ILE 103 Ca -0.51 -0.35 0.24 0.00 -0.39 0.00 0.00 64.86 63.85 1pls h ILE 103 Cb 1.93 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 1pls h ILE 103 CO -0.03 0.17 0.86 -0.33 -0.69 0.00 0.00 178.15 178.13 1pls h GLU 104 N 0.79 0.00 0.00 2.37 5.08 -1.72 -3.36 114.58 117.73 1pls h GLU 104 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1pls h GLU 104 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1pls h GLU 104 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1pls n GLY 105 N -1.64 0.83 3.64 -3.84 0.00 -0.20 -5.00 105.19 98.98 1pls n GLY 105 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1pls n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pls n LEU 106 N 0.00 -2.97 -2.03 0.99 -0.00 -0.55 -4.87 117.00 107.57 1pls n LEU 106 Ca 0.00 -0.83 -0.26 0.00 -0.00 0.00 0.00 56.01 54.92 1pls n LEU 106 Cb 0.00 -2.17 0.06 0.00 -0.00 0.00 0.00 43.42 41.31 1pls n LEU 106 CO 0.00 0.14 0.68 -0.62 -0.00 0.00 0.00 177.39 177.59 1pls n GLU 107 N -3.12 3.09 0.03 1.96 1.02 -1.26 -4.57 120.64 117.78 1pls n GLU 107 Ca -0.17 -3.75 0.12 0.00 -0.02 0.00 0.00 57.16 53.33 1pls n GLU 107 Cb 0.61 -2.23 0.12 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.83 0.32 -2.94 -0.32 -0.00 -1.26 -5.01 115.22 105.18 1pls n HIS 108 Ca 0.49 0.09 -0.09 0.00 0.46 0.00 0.00 57.72 58.68 1pls n HIS 108 Cb 0.88 -0.48 0.01 0.00 -0.12 0.00 0.00 29.99 30.28 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 109 N -1.92 -3.34 -3.51 1.57 8.25 -1.26 -4.97 115.22 110.03 1pls n HIS 109 Ca 0.03 1.34 -0.27 0.00 -0.26 0.00 0.00 57.72 58.56 1pls n HIS 109 Cb 0.41 -3.94 -0.09 0.00 1.12 0.00 0.00 29.99 27.49 1pls n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pls n HIS 110 N -0.58 2.46 -0.04 4.41 8.25 -1.26 -4.82 115.22 123.64 1pls n HIS 110 Ca 0.08 -4.02 0.00 0.00 -0.26 0.00 0.00 57.72 53.52 1pls n HIS 110 Cb 0.48 -0.46 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 1pls n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 111 N 1.43 0.00 -3.64 4.41 -0.00 -1.26 -5.02 115.22 111.14 1pls n HIS 111 Ca 0.26 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.36 1pls n HIS 111 Cb 0.42 -0.49 -0.07 0.00 -0.12 0.00 0.00 29.99 29.73 1pls n HIS 111 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1pls s HIS 112 N -2.65 -0.55 -1.36 1.57 -3.43 -1.26 -5.35 115.29 102.26 1pls s HIS 112 Ca -0.06 1.27 0.11 0.00 -0.80 0.00 0.00 55.06 55.58 1pls s HIS 112 Cb 0.07 0.37 0.09 0.00 -1.43 0.00 0.00 32.58 31.67 1pls s HIS 112 CO 0.57 -0.27 0.84 -2.39 -2.00 0.00 0.00 174.74 171.50