#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 -0.07 -6.24 0.03 5.08 -2.09 -3.44 114.58 107.86 1pls h GLU 2 Ca 0.00 0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1pls h GLU 2 Cb 0.00 0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.30 1pls h GLU 2 CO 0.00 0.48 0.73 -2.30 -1.00 0.00 0.00 179.01 176.92 1pls n PRO 3 N -4.84 1.32 -3.06 2.33 -0.02 -1.26 -4.91 135.00 124.56 1pls n PRO 3 Ca -0.08 0.48 -0.19 0.00 -2.02 0.00 0.00 63.50 61.69 1pls n PRO 3 Cb 0.29 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1pls n PRO 3 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1pls n LYS 4 N 4.17 0.69 -4.50 -0.52 2.85 -1.26 -5.13 118.16 114.46 1pls n LYS 4 Ca 0.22 -2.75 -0.27 0.00 -1.05 0.00 0.00 58.31 54.46 1pls n LYS 4 Cb 0.18 -1.33 -0.10 0.00 -0.65 0.00 0.00 35.03 33.14 1pls n LYS 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1pls s ARG 5 N -0.49 1.97 -0.05 -1.58 0.52 -1.26 -4.98 118.95 113.08 1pls s ARG 5 Ca 0.34 -1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 53.42 1pls s ARG 5 Cb 0.17 -1.74 -0.10 0.00 0.52 0.00 0.00 34.95 33.80 1pls s ARG 5 CO -0.15 0.02 0.61 0.82 0.02 0.00 0.00 175.30 176.62 1pls h ILE 6 N 1.80 0.28 -3.05 1.52 2.04 -1.53 -3.44 117.51 115.13 1pls h ILE 6 Ca -0.43 -0.85 -0.49 0.00 1.00 0.00 0.00 64.86 64.09 1pls h ILE 6 Cb 1.25 0.48 -0.40 0.00 -0.74 0.00 0.00 36.82 37.40 1pls h ILE 6 CO 0.75 0.08 -0.76 -0.13 0.00 0.00 0.00 178.15 178.08 1pls s ARG 7 N -3.07 0.25 0.00 2.37 1.81 -1.00 -4.99 118.95 114.33 1pls s ARG 7 Ca -0.08 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 1pls s ARG 7 Cb 0.01 -1.77 -0.03 0.00 -0.45 0.00 0.00 34.95 32.70 1pls s ARG 7 CO 0.28 -0.75 -0.09 -1.83 -0.68 0.00 0.00 175.30 172.23 1pls s GLU 8 N 2.04 2.48 0.00 3.54 -1.05 -1.26 -1.70 118.70 122.75 1pls s GLU 8 Ca 0.03 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1pls s GLU 8 Cb -0.16 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1pls s GLU 8 CO -0.15 0.60 0.00 0.41 0.95 0.00 0.00 175.26 177.06 1pls n GLY 9 N 1.63 2.96 2.68 -3.83 0.00 -0.77 -5.00 105.19 102.86 1pls n GLY 9 Ca -0.16 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.20 -0.14 0.32 1.61 1.13 -1.26 -2.37 117.35 115.45 1pls s TYR 10 Ca 0.00 -0.64 0.10 0.00 -1.41 0.00 0.00 57.07 55.12 1pls s TYR 10 Cb 0.00 -0.58 -0.06 0.00 -1.10 0.00 0.00 41.96 40.22 1pls s TYR 10 CO 0.00 -0.91 -0.10 -0.51 -2.51 0.00 0.00 175.55 171.52 1pls s LEU 11 N 1.92 2.75 -0.05 -3.49 2.01 -0.00 -4.62 118.68 117.19 1pls s LEU 11 Ca 0.12 -1.11 -0.24 0.00 0.01 0.00 0.00 54.13 52.92 1pls s LEU 11 Cb -0.16 -1.10 -0.04 0.00 0.01 0.00 0.00 46.19 44.90 1pls s LEU 11 CO -0.22 -0.14 0.72 0.54 1.01 0.00 0.00 176.35 178.26 1pls s VAL 12 N -2.56 5.00 -0.05 -1.59 0.11 -1.03 0.27 120.40 120.54 1pls s VAL 12 Ca 0.32 1.48 0.05 0.00 -2.93 0.00 0.00 61.98 60.91 1pls s VAL 12 Cb -0.00 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 1pls s VAL 12 CO 0.17 0.27 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.24 1pls s LYS 13 N 0.67 2.26 -0.54 1.54 2.20 -0.98 -1.75 119.74 123.14 1pls s LYS 13 Ca 0.38 -0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 1pls s LYS 13 Cb -0.18 -1.92 0.13 0.00 -1.51 0.00 0.00 37.83 34.35 1pls s LYS 13 CO 0.19 0.31 0.49 0.21 -0.36 0.00 0.00 175.35 176.19 1pls s LYS 14 N -0.05 2.93 0.00 4.03 2.47 -0.74 -4.23 119.74 124.14 1pls s LYS 14 Ca -0.04 -1.75 0.00 0.00 -1.56 0.00 0.00 55.97 52.61 1pls s LYS 14 Cb -0.13 -4.24 0.00 0.00 -1.46 0.00 0.00 37.83 32.00 1pls s LYS 14 CO 0.03 -1.31 0.00 0.41 0.16 0.00 0.00 175.35 174.65 1pls n GLY 15 N 5.14 -1.03 0.00 5.54 0.00 -1.26 -4.20 105.19 109.37 1pls n GLY 15 Ca -0.12 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.78 -3.33 0.24 -1.26 -4.97 118.33 106.23 1pls n VAL 17 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1pls n VAL 17 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 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 3.34 -3.13 6.34 3.72 -1.26 -4.81 117.46 121.65 1pls n PHE 18 Ca 0.00 -2.95 -0.05 0.00 -0.05 0.00 0.00 57.45 54.40 1pls n PHE 18 Cb 0.00 -1.73 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 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 3.16 -6.74 -0.25 4.37 3.02 -1.26 -5.00 115.26 112.55 1pls n ASN 19 Ca 0.33 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1pls n ASN 19 Cb 0.37 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pls n THR 20 N 0.97 0.00 -3.33 3.41 -2.24 -1.26 -5.10 114.28 106.73 1pls n THR 20 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1pls n THR 20 Cb 0.43 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.37 -0.90 0.00 4.78 0.52 -1.26 -4.36 118.94 115.35 1pls s TRP 21 Ca 0.00 0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.54 1pls s TRP 21 Cb 0.00 -0.14 -0.01 0.00 -1.15 0.00 0.00 33.47 32.17 1pls s TRP 21 CO 0.00 -0.91 -0.03 0.15 0.02 0.00 0.00 176.95 176.18 1pls s LYS 22 N 2.53 0.27 0.95 4.98 -0.14 -1.26 -4.98 119.74 122.09 1pls s LYS 22 Ca 0.10 -0.22 -0.13 0.00 -1.36 0.00 0.00 55.97 54.37 1pls s LYS 22 Cb -0.13 -0.20 0.04 0.00 -1.68 0.00 0.00 37.83 35.86 1pls s LYS 22 CO -0.27 0.05 0.42 -2.30 -0.76 0.00 0.00 175.35 172.49 1pls n PRO 23 N 2.71 -0.33 -3.66 -1.68 -0.02 -1.26 -2.33 135.00 128.42 1pls n PRO 23 Ca -0.15 -0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.23 1pls n PRO 23 Cb 0.58 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.66 1.02 0.03 -0.52 0.23 0.14 -4.73 119.30 111.81 1pls s MET 24 Ca 0.57 -0.51 -0.14 0.00 -1.03 0.00 0.00 55.69 54.57 1pls s MET 24 Cb -0.21 0.38 -0.06 0.00 -1.53 0.00 0.00 34.83 33.41 1pls s MET 24 CO 0.67 -0.46 0.43 -0.46 -2.03 0.00 0.00 175.02 173.18 1pls s TRP 25 N -3.17 3.71 -0.14 3.16 -0.11 -0.29 -0.82 118.94 121.27 1pls s TRP 25 Ca 0.10 1.00 -0.09 0.00 1.22 0.00 0.00 56.10 58.33 1pls s TRP 25 Cb -0.01 -2.30 0.05 0.00 -1.50 0.00 0.00 33.47 29.71 1pls s TRP 25 CO -0.02 0.61 0.36 0.54 -4.62 0.00 0.00 176.95 173.82 1pls s VAL 26 N -1.16 -0.02 -0.22 5.86 0.11 -1.00 0.07 120.40 124.04 1pls s VAL 26 Ca 0.27 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1pls s VAL 26 Cb -0.16 -0.52 0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1pls s VAL 26 CO 0.15 0.03 -0.07 0.68 -3.33 0.00 0.00 175.10 172.56 1pls s VAL 27 N 0.99 1.59 -0.24 2.04 -7.23 -0.65 -1.85 120.40 115.05 1pls s VAL 27 Ca -0.07 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1pls s VAL 27 Cb -0.07 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1pls s VAL 27 CO -0.08 0.01 0.94 -1.48 -0.31 0.00 0.00 175.10 174.18 1pls s LEU 28 N 1.39 4.09 0.36 1.32 0.05 -0.69 -1.88 118.68 123.31 1pls s LEU 28 Ca -0.04 1.20 0.08 0.00 0.05 0.00 0.00 54.13 55.41 1pls s LEU 28 Cb -0.18 -3.37 -0.02 0.00 -2.05 0.00 0.00 46.19 40.57 1pls s LEU 28 CO -0.07 -0.60 0.33 -0.76 -0.55 0.00 0.00 176.35 174.70 1pls s LEU 29 N 3.04 3.55 0.00 1.48 1.02 -0.29 -1.31 118.68 126.18 1pls s LEU 29 Ca 0.40 -0.56 0.18 0.00 0.02 0.00 0.00 54.13 54.16 1pls s LEU 29 Cb -0.15 -2.19 0.87 0.00 0.02 0.00 0.00 46.19 44.74 1pls s LEU 29 CO 0.07 -0.46 1.55 -1.84 0.02 0.00 0.00 176.35 175.68 1pls n GLU 30 N -1.45 0.20 0.00 1.70 0.28 -1.26 -2.36 120.64 117.75 1pls n GLU 30 Ca 0.00 0.13 0.01 0.00 -0.16 0.00 0.00 57.16 57.15 1pls n GLU 30 Cb 0.60 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.98 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pls n ASP 31 N -1.33 1.02 0.00 -1.84 5.75 -1.26 -4.82 116.55 114.06 1pls n ASP 31 Ca 0.08 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1pls n ASP 31 Cb 0.16 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.30 3.96 3.41 6.12 0.00 -0.99 -4.30 105.19 113.68 1pls n GLY 32 Ca 0.01 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.66 5.05 -0.20 -0.61 1.09 -0.40 -1.13 121.20 123.34 1pls s ILE 33 Ca 0.00 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 58.67 1pls s ILE 33 Cb 0.00 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 37.14 1pls s ILE 33 CO 0.00 -0.70 0.10 -1.83 -0.10 0.00 0.00 174.94 172.40 1pls s GLU 34 N 2.14 4.02 0.07 2.79 -1.05 -0.79 -0.41 118.70 125.47 1pls s GLU 34 Ca 0.09 -0.31 0.08 0.00 -0.15 0.00 0.00 54.97 54.68 1pls s GLU 34 Cb -0.22 -3.33 -0.03 0.00 -0.44 0.00 0.00 34.13 30.11 1pls s GLU 34 CO 0.09 0.20 -0.21 -0.59 0.95 0.00 0.00 175.26 175.70 1pls s PHE 35 N 0.60 1.82 0.00 4.83 -0.12 -1.03 -1.63 117.98 122.45 1pls s PHE 35 Ca 0.05 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1pls s PHE 35 Cb -0.13 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.22 1pls s PHE 35 CO 0.01 0.15 0.00 0.66 -0.05 0.00 0.00 175.22 175.99 1pls n TYR 36 N 1.48 0.00 -0.10 3.49 4.02 0.11 -1.82 117.16 124.34 1pls n TYR 36 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.55 1pls n TYR 36 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.49 -3.83 -0.72 4.81 -1.26 -1.97 118.16 115.67 1pls n LYS 37 Ca 0.00 0.14 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 1pls n LYS 37 Cb 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.66 1pls n LYS 37 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pls n LYS 38 N -3.30 0.93 -0.37 1.64 4.81 -1.26 -1.14 118.16 119.47 1pls n LYS 38 Ca -0.37 -2.90 0.30 0.00 -0.87 0.00 0.00 58.31 54.47 1pls n LYS 38 Cb 0.86 0.58 0.61 0.00 0.02 0.00 0.00 35.03 37.10 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 0.21 -0.60 1.64 1.63 -1.94 -3.24 116.57 114.27 1pls h LYS 39 Ca -0.32 -0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.22 1pls h LYS 39 Cb 1.03 -0.05 -0.18 0.00 -0.60 0.00 0.00 32.23 32.43 1pls h LYS 39 CO 0.51 0.14 -0.57 0.43 -3.45 0.00 0.00 179.45 176.51 1pls n SER 40 N -4.52 -2.67 0.25 4.20 7.64 -1.26 -4.94 113.62 112.31 1pls n SER 40 Ca 0.29 -3.09 0.11 0.00 1.01 0.00 0.00 58.87 57.19 1pls n SER 40 Cb 1.14 1.46 0.57 0.00 -1.01 0.00 0.00 64.21 66.38 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 4.38 0.00 0.00 6.43 3.58 -1.92 -3.43 116.42 125.46 1pls h ASP 41 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1pls h ASP 41 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1pls h ASP 41 CO 0.25 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.20 1pls n ASN 42 N -2.46 0.00 -3.75 2.28 5.03 -1.26 -4.96 115.26 110.14 1pls n ASN 42 Ca -0.01 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.19 1pls n ASN 42 Cb 0.35 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.94 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pls s SER 43 N -1.32 2.03 0.41 6.41 0.15 -1.26 -5.13 113.70 115.00 1pls s SER 43 Ca 0.00 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 1pls s SER 43 Cb 0.00 -0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 63.75 1pls s SER 43 CO 0.00 -0.24 1.20 -2.16 1.20 0.00 0.00 173.24 173.24 1pls s PRO 44 N 1.95 3.97 0.07 5.44 0.04 -1.26 -4.66 135.00 140.55 1pls s PRO 44 Ca 0.03 1.90 0.17 0.00 0.04 0.00 0.00 61.00 63.14 1pls s PRO 44 Cb -0.14 -2.64 -0.13 0.00 0.04 0.00 0.00 34.50 31.63 1pls s PRO 44 CO -0.06 -0.41 0.83 1.63 0.04 0.00 0.00 177.00 179.03 1pls n LYS 45 N -0.02 0.62 -3.62 4.56 4.76 -0.75 -4.97 118.16 118.73 1pls n LYS 45 Ca 0.05 0.22 -0.05 0.00 -2.87 0.00 0.00 58.31 55.66 1pls n LYS 45 Cb 0.46 -1.81 -0.04 0.00 -1.84 0.00 0.00 35.03 31.80 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 -4.78 -0.04 0.37 0.72 0.00 -1.23 -5.01 107.32 97.35 1pls s GLY 46 Ca -0.03 2.52 0.08 0.00 0.00 0.00 0.00 44.72 47.30 1pls s GLY 46 CO 0.81 1.06 -0.00 1.06 0.00 0.00 0.00 173.10 176.02 1pls s MET 47 N -1.11 1.98 -0.06 2.90 -1.94 -1.26 -2.45 119.30 117.36 1pls s MET 47 Ca 0.06 -1.93 0.02 0.00 -1.71 0.00 0.00 55.69 52.13 1pls s MET 47 Cb -0.01 -1.78 0.01 0.00 2.01 0.00 0.00 34.83 35.06 1pls s MET 47 CO -0.05 0.05 -0.12 0.42 -0.01 0.00 0.00 175.02 175.32 1pls s ILE 48 N -2.61 1.11 0.22 2.53 1.01 0.45 -4.96 121.20 118.95 1pls s ILE 48 Ca 0.35 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1pls s ILE 48 Cb 0.04 -1.01 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1pls s ILE 48 CO 0.18 0.35 1.29 -2.16 0.00 0.00 0.00 174.94 174.60 1pls s PRO 49 N 0.55 4.41 -0.17 2.79 0.04 -1.26 -1.27 135.00 140.08 1pls s PRO 49 Ca -0.12 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 1pls s PRO 49 Cb -0.14 -3.18 0.14 0.00 0.04 0.00 0.00 34.50 31.35 1pls s PRO 49 CO 0.03 -0.21 1.86 -0.11 0.04 0.00 0.00 177.00 178.61 1pls n LEU 50 N 2.31 5.60 -3.13 -3.56 7.94 -1.26 -4.56 117.00 120.33 1pls n LEU 50 Ca 0.05 -2.75 0.05 0.00 -1.11 0.00 0.00 56.01 52.24 1pls n LEU 50 Cb 0.43 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1pls n LEU 50 CO 0.58 1.04 0.45 -0.75 -1.11 0.00 0.00 177.39 177.60 1pls s LYS 51 N -1.02 0.21 0.00 1.96 2.20 -1.26 -4.15 119.74 117.67 1pls s LYS 51 Ca 0.17 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1pls s LYS 51 Cb 0.14 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1pls s LYS 51 CO 0.00 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1pls n GLY 52 N 5.07 1.09 3.94 5.54 0.00 -1.26 -4.72 105.19 114.85 1pls n GLY 52 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1pls n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pls s SER 53 N -1.61 6.35 0.45 1.61 0.15 -1.26 0.26 113.70 119.65 1pls s SER 53 Ca 0.00 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1pls s SER 53 Cb 0.00 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1pls s SER 53 CO 0.00 -0.10 0.11 0.28 1.20 0.00 0.00 173.24 174.73 1pls s THR 54 N -1.98 1.84 -0.02 6.45 -1.32 0.07 -4.83 115.64 115.84 1pls s THR 54 Ca 0.38 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1pls s THR 54 Cb -0.10 -2.69 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 1pls s THR 54 CO 0.30 0.00 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.44 1pls s LEU 55 N -3.88 1.72 -0.27 9.08 0.20 -1.26 -2.26 118.68 122.01 1pls s LEU 55 Ca 0.29 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 55.02 1pls s LEU 55 Cb 0.04 -0.39 0.07 0.00 -0.43 0.00 0.00 46.19 45.48 1pls s LEU 55 CO 0.16 0.03 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.28 1pls s THR 56 N 0.29 2.04 -0.11 3.68 2.01 0.24 -4.94 115.64 118.84 1pls s THR 56 Ca -0.04 -1.67 -0.04 0.00 0.31 0.00 0.00 61.69 60.26 1pls s THR 56 Cb -0.08 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.25 1pls s THR 56 CO -0.00 -0.15 0.13 -0.94 -0.69 0.00 0.00 174.62 172.98 1pls s SER 57 N 1.14 1.29 1.13 3.53 1.04 -1.26 -2.27 113.70 118.29 1pls s SER 57 Ca -0.05 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 1pls s SER 57 Cb -0.20 0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.12 1pls s SER 57 CO -0.06 -0.28 0.27 -2.65 0.98 0.00 0.00 173.24 171.49 1pls n PRO 58 N 5.31 -2.58 0.00 4.02 -0.02 -1.26 -5.14 135.00 135.32 1pls n PRO 58 Ca -0.05 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1pls n PRO 58 Cb 0.50 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 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 3.99 -0.25 0.00 -0.06 -1.26 -4.94 117.38 114.87 1pls n GLN 60 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.03 1pls n GLN 60 Cb 0.00 0.00 0.12 0.00 -4.06 0.00 0.00 30.24 26.30 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1pls n ASP 61 N 0.00 2.24 -4.33 1.69 -0.08 -1.26 -4.31 116.55 110.50 1pls n ASP 61 Ca 0.00 -2.23 -0.44 0.00 -1.51 0.00 0.00 54.79 50.61 1pls n ASP 61 Cb 0.00 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1pls n ASP 61 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1pls n PHE 62 N 0.20 4.49 0.00 -0.67 -0.00 -1.26 -4.66 117.46 115.56 1pls n PHE 62 Ca 0.09 -3.21 0.00 0.00 -0.00 0.00 0.00 57.45 54.32 1pls n PHE 62 Cb 0.47 -2.15 0.00 0.00 -0.00 0.00 0.00 39.48 37.81 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 3.82 1.93 2.47 7.13 0.00 -1.26 -4.84 105.19 114.43 1pls n GLY 63 Ca 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.79 0.00 1.61 4.81 -1.26 -4.82 118.16 115.71 1pls n LYS 64 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1pls n LYS 64 Cb 0.00 -4.66 0.00 0.00 0.02 0.00 0.00 35.03 30.39 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 -2.55 0.00 0.00 1.64 1.74 -1.26 -5.00 116.66 111.23 1pls n ARG 65 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1pls n ARG 65 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pls n MET 66 N 0.00 0.00 -3.70 5.56 2.81 -1.26 -4.84 117.12 115.69 1pls n MET 66 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1pls n MET 66 Cb 0.00 -0.01 -0.12 0.00 -0.71 0.00 0.00 33.22 32.37 1pls n MET 66 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1pls s PHE 67 N 0.00 2.11 -0.20 2.03 0.08 -1.26 -5.00 117.98 115.73 1pls s PHE 67 Ca 0.00 -2.55 0.02 0.00 0.12 0.00 0.00 56.93 54.51 1pls s PHE 67 Cb 0.00 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1pls s PHE 67 CO 0.00 -0.75 -0.17 0.54 -0.10 0.00 0.00 175.22 174.73 1pls s VAL 68 N 0.05 2.07 0.34 -0.44 0.11 -1.26 -2.35 120.40 118.92 1pls s VAL 68 Ca 0.21 -1.12 0.08 0.00 -2.93 0.00 0.00 61.98 58.21 1pls s VAL 68 Cb -0.18 -1.96 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1pls s VAL 68 CO -0.05 0.38 0.27 0.72 -3.33 0.00 0.00 175.10 173.10 1pls s PHE 69 N 1.25 2.87 -0.16 1.54 -0.12 -0.97 -3.91 117.98 118.48 1pls s PHE 69 Ca 0.01 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1pls s PHE 69 Cb -0.15 -1.78 0.02 0.00 -0.63 0.00 0.00 43.02 40.48 1pls s PHE 69 CO -0.11 0.20 -0.16 0.21 -0.05 0.00 0.00 175.22 175.32 1pls s LYS 70 N -3.98 2.46 0.27 1.99 2.20 -0.96 -2.44 119.74 119.28 1pls s LYS 70 Ca 0.41 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 1pls s LYS 70 Cb -0.05 -2.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 1pls s LYS 70 CO 0.26 -0.23 0.19 0.42 -0.36 0.00 0.00 175.35 175.63 1pls s ILE 71 N 1.44 4.19 -0.36 5.43 1.01 -0.96 0.79 121.20 132.74 1pls s ILE 71 Ca 0.05 -1.46 -0.00 0.00 0.00 0.00 0.00 60.65 59.24 1pls s ILE 71 Cb -0.13 -3.30 0.12 0.00 0.01 0.00 0.00 42.46 39.16 1pls s ILE 71 CO -0.11 -0.33 0.17 -0.89 0.00 0.00 0.00 174.94 173.78 1pls s THR 72 N -2.18 0.74 0.65 2.92 2.01 -0.96 -0.56 115.64 118.27 1pls s THR 72 Ca 0.34 -1.75 -0.18 0.00 0.31 0.00 0.00 61.69 60.41 1pls s THR 72 Cb -0.07 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1pls s THR 72 CO 0.25 -0.83 1.23 0.35 -0.69 0.00 0.00 174.62 174.93 1pls n THR 73 N 4.30 4.64 0.18 -0.82 -2.24 -1.04 -0.76 114.28 118.55 1pls n THR 73 Ca 0.04 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1pls n THR 73 Cb 0.38 -1.42 0.45 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.44 0.06 -0.32 4.28 1.03 0.32 0.52 112.91 119.23 1pls h THR 74 Ca -0.50 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.74 1pls h THR 74 Cb 1.34 0.30 -0.09 0.00 -1.07 0.00 0.00 68.15 68.63 1pls h THR 74 CO 0.52 0.00 0.20 0.29 -0.01 0.00 0.00 175.52 176.52 1pls n LYS 75 N -2.95 1.48 -2.69 0.00 5.02 -1.26 -4.81 118.16 112.95 1pls n LYS 75 Ca 0.05 -1.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.20 1pls n LYS 75 Cb 0.87 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pls n GLN 76 N -0.03 -2.66 -3.22 1.97 7.27 0.18 -4.88 117.38 116.02 1pls n GLN 76 Ca 0.19 0.55 -0.46 0.00 0.07 0.00 0.00 57.00 57.35 1pls n GLN 76 Cb 0.87 -5.18 -0.04 0.00 2.41 0.00 0.00 30.24 28.30 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1pls s GLN 77 N -5.30 3.17 0.70 3.69 -0.44 -1.18 -4.89 119.66 115.42 1pls s GLN 77 Ca 0.11 -1.72 -0.16 0.00 -2.50 0.00 0.00 55.36 51.09 1pls s GLN 77 Cb -0.06 -4.35 0.02 0.00 -1.64 0.00 0.00 33.01 26.98 1pls s GLN 77 CO 0.14 -1.43 1.24 -0.51 0.50 0.00 0.00 175.29 175.23 1pls s ASP 78 N 3.33 4.31 -0.36 6.67 1.01 -1.26 -2.49 116.67 127.88 1pls s ASP 78 Ca 0.11 2.45 0.01 0.00 0.71 0.00 0.00 52.55 55.83 1pls s ASP 78 Cb -0.23 -2.60 0.15 0.00 1.01 0.00 0.00 42.92 41.25 1pls s ASP 78 CO 0.01 -2.19 0.27 -1.00 0.21 0.00 0.00 175.17 172.47 1pls s HIS 79 N -1.78 0.45 -0.60 4.23 3.76 0.28 -4.91 115.29 116.73 1pls s HIS 79 Ca 0.77 -1.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.00 1pls s HIS 79 Cb -0.32 -0.76 0.08 0.00 1.11 0.00 0.00 32.58 32.69 1pls s HIS 79 CO 0.43 -0.87 0.82 -0.06 -0.85 0.00 0.00 174.74 174.21 1pls s PHE 80 N 1.06 2.86 0.05 1.40 0.40 -1.26 -2.27 117.98 120.21 1pls s PHE 80 Ca 0.19 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1pls s PHE 80 Cb -0.18 -4.05 -0.02 0.00 0.51 0.00 0.00 43.02 39.28 1pls s PHE 80 CO -0.02 -1.39 -0.15 -0.59 0.70 0.00 0.00 175.22 173.77 1pls s PHE 81 N 3.35 1.31 0.02 0.36 -0.12 -1.02 -1.80 117.98 120.08 1pls s PHE 81 Ca 0.18 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.75 1pls s PHE 81 Cb -0.19 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.40 1pls s PHE 81 CO 0.10 0.06 -0.19 -1.14 -0.05 0.00 0.00 175.22 174.00 1pls s GLN 82 N -1.32 2.13 0.00 1.99 0.74 -0.72 -2.30 119.66 120.19 1pls s GLN 82 Ca 0.02 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1pls s GLN 82 Cb -0.09 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.83 1pls s GLN 82 CO 0.02 0.55 0.00 0.00 -0.55 0.00 0.00 175.29 175.31 1pls n ALA 83 N 1.78 0.00 0.25 1.58 0.00 -0.99 -2.48 120.51 120.66 1pls n ALA 83 Ca -0.16 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 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 3.01 -3.75 0.00 0.00 -1.26 -4.82 120.51 110.69 1pls n ALA 84 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 1pls n ALA 84 Cb 0.00 -0.47 -0.00 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 -2.66 -0.05 0.15 0.00 -0.71 -1.26 -5.00 117.98 108.45 1pls s PHE 85 Ca -0.01 -0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 55.50 1pls s PHE 85 Cb 0.09 0.62 0.03 0.00 -1.21 0.00 0.00 43.02 42.55 1pls s PHE 85 CO 0.56 -0.63 1.68 1.25 -1.34 0.00 0.00 175.22 176.74 1pls h LEU 86 N 2.00 -0.32 -1.08 -1.99 6.46 -1.96 0.18 115.31 118.60 1pls h LEU 86 Ca -0.27 0.09 0.15 0.00 -0.12 0.00 0.00 57.88 57.74 1pls h LEU 86 Cb 1.22 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 41.26 1pls h LEU 86 CO 0.29 -0.12 0.62 -0.08 -0.62 0.00 0.00 178.44 178.53 1pls h GLU 87 N -0.02 0.82 0.00 1.25 4.22 -2.00 0.13 114.58 118.98 1pls h GLU 87 Ca 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1pls h GLU 87 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pls h GLU 87 CO -0.31 0.54 -0.31 1.49 -2.18 0.00 0.00 179.01 178.24 1pls h GLU 88 N 0.84 0.00 0.02 1.92 4.81 -1.64 -2.60 114.58 117.93 1pls h GLU 88 Ca 0.51 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.64 1pls h GLU 88 Cb 0.70 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1pls h GLU 88 CO -0.29 0.00 -0.41 -0.09 -0.73 0.00 0.00 179.01 177.49 1pls h ARG 89 N 0.00 0.23 0.00 1.92 2.43 0.20 -2.27 114.38 116.89 1pls h ARG 89 Ca 0.00 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 1pls h ARG 89 Cb 0.81 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1pls h ARG 89 CO 0.00 1.03 -0.72 0.22 -1.51 0.00 0.00 179.97 178.99 1pls h ASP 90 N -0.44 0.00 0.30 -3.80 1.82 -1.44 -2.36 116.42 110.50 1pls h ASP 90 Ca -0.06 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.40 1pls h ASP 90 Cb 1.19 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1pls h ASP 90 CO 0.08 0.72 -0.75 0.00 -1.61 0.00 0.00 179.24 177.67 1pls h ALA 91 N 1.28 0.58 0.04 -0.78 0.00 -1.54 -0.72 119.26 118.12 1pls h ALA 91 Ca -0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1pls h ALA 91 Cb 1.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1pls h ALA 91 CO 0.09 0.78 -0.26 -1.49 0.00 0.00 0.00 179.25 178.37 1pls h TRP 92 N 0.25 0.15 0.00 0.00 4.06 -1.44 -2.56 115.95 116.41 1pls h TRP 92 Ca -0.03 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.74 1pls h TRP 92 Cb 1.33 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.48 1pls h TRP 92 CO 0.04 1.10 -0.31 -0.24 -3.56 0.00 0.00 178.44 175.47 1pls h VAL 93 N -0.82 0.93 0.02 1.49 3.04 -1.52 -1.68 116.25 117.71 1pls h VAL 93 Ca -0.05 -1.19 -0.22 0.00 -1.01 0.00 0.00 66.70 64.24 1pls h VAL 93 Cb 1.19 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 32.14 1pls h VAL 93 CO 0.04 0.30 -1.02 0.08 -1.01 0.00 0.00 177.57 175.96 1pls h ARG 94 N 0.00 0.04 -0.04 4.17 0.11 -1.22 -1.93 114.38 115.52 1pls h ARG 94 Ca -0.00 -0.07 -0.25 0.00 0.10 0.00 0.00 59.98 59.76 1pls h ARG 94 Cb 0.67 0.02 0.02 0.00 1.11 0.00 0.00 29.97 31.80 1pls h ARG 94 CO 0.04 1.02 -0.96 0.22 0.10 0.00 0.00 179.97 180.39 1pls h ASP 95 N 0.01 0.88 -0.16 0.08 1.82 -1.14 0.40 116.42 118.31 1pls h ASP 95 Ca -0.03 -0.66 -0.16 0.00 -0.39 0.00 0.00 57.03 55.79 1pls h ASP 95 Cb 1.78 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1pls h ASP 95 CO 0.14 1.46 -0.52 0.40 -1.61 0.00 0.00 179.24 179.12 1pls h ILE 96 N 0.42 1.33 0.00 2.25 2.04 -1.38 -1.85 117.51 120.32 1pls h ILE 96 Ca -0.10 -1.77 -0.09 0.00 1.00 0.00 0.00 64.86 63.89 1pls h ILE 96 Cb 1.60 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1pls h ILE 96 CO 0.19 0.55 -0.45 -1.13 0.00 0.00 0.00 178.15 177.31 1pls h ASN 97 N 0.31 0.00 -0.09 1.72 -0.73 -1.40 -2.15 115.58 113.24 1pls h ASN 97 Ca -0.02 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.07 1pls h ASN 97 Cb 1.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1pls h ASN 97 CO 0.11 0.45 -0.25 0.50 -0.37 0.00 0.00 177.43 177.86 1pls h LYS 98 N 0.00 0.33 -0.54 6.67 1.63 -0.82 -0.70 116.57 123.15 1pls h LYS 98 Ca -0.00 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.50 1pls h LYS 98 Cb 0.97 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1pls h LYS 98 CO 0.06 0.85 0.10 0.00 -3.45 0.00 0.00 179.45 177.01 1pls h ALA 99 N 0.48 1.17 -0.17 5.00 0.00 -1.29 0.24 119.26 124.69 1pls h ALA 99 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1pls h ALA 99 Cb 0.87 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pls h ALA 99 CO 0.05 0.56 -0.43 0.82 0.00 0.00 0.00 179.25 180.25 1pls h ILE 100 N 0.80 1.31 -0.00 0.00 2.04 -1.34 -1.02 117.51 119.30 1pls h ILE 100 Ca 0.17 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1pls h ILE 100 Cb 0.33 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1pls h ILE 100 CO 0.00 0.49 -0.22 0.29 0.00 0.00 0.00 178.15 178.72 1pls n LYS 101 N -4.01 0.23 -0.06 2.37 5.02 -0.27 -3.59 118.16 117.85 1pls n LYS 101 Ca -0.02 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 1pls n LYS 101 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.13 0.00 0.00 1.08 -1.26 -1.42 117.51 117.05 1pls h ILE 103 Ca -0.41 -1.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 1pls h ILE 103 Cb 2.11 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.67 1pls h ILE 103 CO 0.05 0.39 0.00 -0.62 -0.69 0.00 0.00 178.15 177.28 1pls n GLU 104 N -3.84 0.02 -0.03 2.37 1.02 -1.24 -1.87 120.64 117.07 1pls n GLU 104 Ca -0.01 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1pls n GLU 104 Cb 0.46 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.76 -0.10 2.79 0.62 0.00 -0.80 -4.85 105.19 102.08 1pls n GLY 105 Ca 0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.26 4.78 -4.97 0.99 7.99 -0.60 -5.05 117.00 119.88 1pls n LEU 106 Ca 0.01 -5.58 -0.19 0.00 -0.01 0.00 0.00 56.01 50.24 1pls n LEU 106 Cb 0.42 -0.69 0.01 0.00 -0.11 0.00 0.00 43.42 43.04 1pls n LEU 106 CO 0.00 2.23 0.14 -1.61 -1.51 0.00 0.00 177.39 176.63 1pls s GLU 107 N -3.34 2.64 0.00 3.23 2.02 -1.26 -4.90 118.70 117.09 1pls s GLU 107 Ca 0.45 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1pls s GLU 107 Cb 0.23 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1pls s GLU 107 CO -0.10 -0.36 0.00 0.72 0.02 0.00 0.00 175.26 175.54 1pls n HIS 108 N -1.83 0.00 -2.87 1.61 8.25 -1.26 -4.98 115.22 114.15 1pls n HIS 108 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1pls n HIS 108 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 109 N 0.00 -3.22 -3.40 4.41 -0.00 -1.26 -4.95 115.22 106.81 1pls n HIS 109 Ca 0.00 1.39 -0.37 0.00 -0.00 0.00 0.00 57.72 58.74 1pls n HIS 109 Cb 0.00 -3.44 -0.06 0.00 -0.00 0.00 0.00 29.99 26.49 1pls n HIS 109 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1pls s HIS 110 N -1.73 3.71 -0.47 1.57 3.76 -1.26 -5.00 115.29 115.87 1pls s HIS 110 Ca 0.07 1.09 0.06 0.00 -0.15 0.00 0.00 55.06 56.13 1pls s HIS 110 Cb -0.02 -2.37 0.40 0.00 1.11 0.00 0.00 32.58 31.71 1pls s HIS 110 CO 0.67 0.56 1.06 -2.39 -0.85 0.00 0.00 174.74 173.79 1pls n HIS 111 N 1.46 3.43 0.04 1.40 1.44 -1.26 -4.81 115.22 116.92 1pls n HIS 111 Ca -0.10 -3.34 -0.05 0.00 -2.01 0.00 0.00 57.72 52.23 1pls n HIS 111 Cb 0.52 -0.20 0.16 0.00 0.12 0.00 0.00 29.99 30.59 1pls n HIS 111 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1pls h HIS 112 N 2.70 0.48 -0.01 -1.40 2.76 -2.04 -3.58 115.15 114.07 1pls h HIS 112 Ca 0.24 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1pls h HIS 112 Cb 0.83 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1pls h HIS 112 CO 0.81 0.75 0.00 1.58 -1.30 0.00 0.00 177.93 179.77