#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 0.76 0.00 0.03 -1.05 -1.26 -5.16 118.70 112.02 1pls s GLU 2 Ca 0.00 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1pls s GLU 2 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1pls s GLU 2 CO 0.00 -0.21 0.00 -2.30 0.95 0.00 0.00 175.26 173.70 1pls n PRO 3 N 0.07 2.98 -2.41 -4.83 -0.02 -1.26 -4.90 135.00 124.64 1pls n PRO 3 Ca -0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 1pls n PRO 3 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.07 1pls n PRO 3 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pls n LYS 4 N 0.00 -3.42 -2.41 -0.52 5.02 -1.26 -4.94 118.16 110.63 1pls n LYS 4 Ca 0.00 2.71 -0.34 0.00 -2.02 0.00 0.00 58.31 58.66 1pls n LYS 4 Cb 0.00 -4.37 -0.02 0.00 -0.02 0.00 0.00 35.03 30.62 1pls n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pls s ARG 5 N -0.93 3.63 0.11 1.97 3.00 -1.26 -4.94 118.95 120.53 1pls s ARG 5 Ca -0.16 1.39 -0.26 0.00 0.00 0.00 0.00 55.73 56.70 1pls s ARG 5 Cb 0.01 -2.07 -0.09 0.00 0.00 0.00 0.00 34.95 32.81 1pls s ARG 5 CO 0.64 -0.58 1.65 0.82 0.00 0.00 0.00 175.30 177.84 1pls h ILE 6 N 1.31 0.51 -2.83 1.52 1.08 -1.71 -3.41 117.51 114.00 1pls h ILE 6 Ca -0.49 0.00 -0.42 0.00 -0.39 0.00 0.00 64.86 63.56 1pls h ILE 6 Cb 1.23 0.51 -0.39 0.00 -3.07 0.00 0.00 36.82 35.10 1pls h ILE 6 CO 0.58 0.00 -0.71 -0.60 -0.69 0.00 0.00 178.15 176.73 1pls s ARG 7 N -6.09 0.12 -0.09 2.37 6.06 -1.02 -5.00 118.95 115.30 1pls s ARG 7 Ca -0.15 -0.04 0.04 0.00 -2.50 0.00 0.00 55.73 53.09 1pls s ARG 7 Cb 0.08 -1.53 -0.00 0.00 0.06 0.00 0.00 34.95 33.56 1pls s ARG 7 CO 0.65 -0.71 -0.24 -1.83 -2.50 0.00 0.00 175.30 170.67 1pls s GLU 8 N 2.20 2.93 0.00 5.12 4.04 -1.26 -1.56 118.70 130.18 1pls s GLU 8 Ca 0.04 -0.89 0.00 0.00 0.04 0.00 0.00 54.97 54.17 1pls s GLU 8 Cb -0.16 -2.27 0.00 0.00 0.02 0.00 0.00 34.13 31.72 1pls s GLU 8 CO -0.14 0.23 0.00 0.41 -1.84 0.00 0.00 175.26 173.92 1pls n GLY 9 N 3.39 3.23 2.55 -3.83 0.00 -0.71 -4.99 105.19 104.83 1pls n GLY 9 Ca -0.19 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 0.77 0.41 1.61 1.13 -1.26 -2.02 117.35 117.05 1pls s TYR 10 Ca 0.00 -1.37 0.07 0.00 -1.41 0.00 0.00 57.07 54.36 1pls s TYR 10 Cb 0.00 -1.09 -0.05 0.00 -1.10 0.00 0.00 41.96 39.72 1pls s TYR 10 CO 0.00 -0.83 0.16 -0.51 -2.51 0.00 0.00 175.55 171.86 1pls s LEU 11 N 1.54 3.10 0.30 -3.49 2.01 -0.18 -4.72 118.68 117.25 1pls s LEU 11 Ca 0.13 -1.09 0.02 0.00 0.01 0.00 0.00 54.13 53.20 1pls s LEU 11 Cb -0.19 -1.40 -0.03 0.00 0.01 0.00 0.00 46.19 44.57 1pls s LEU 11 CO -0.19 -0.52 0.48 0.54 1.01 0.00 0.00 176.35 177.66 1pls s VAL 12 N -2.60 5.16 -0.13 -1.59 0.11 -0.92 0.31 120.40 120.73 1pls s VAL 12 Ca 0.40 -0.64 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1pls s VAL 12 Cb 0.04 -3.86 0.05 0.00 -1.53 0.00 0.00 36.38 31.09 1pls s VAL 12 CO 0.22 -0.47 0.32 -0.75 -3.33 0.00 0.00 175.10 171.09 1pls s LYS 13 N -4.17 0.29 0.61 1.54 2.20 -0.99 -1.05 119.74 118.18 1pls s LYS 13 Ca 0.38 0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 56.45 1pls s LYS 13 Cb -0.09 -0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.08 1pls s LYS 13 CO 0.33 -0.16 0.61 1.17 -0.36 0.00 0.00 175.35 176.94 1pls n LYS 14 N 4.22 0.52 0.00 4.03 4.81 -0.55 -4.03 118.16 127.17 1pls n LYS 14 Ca -0.24 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1pls n LYS 14 Cb 0.54 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.77 1pls n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pls n GLY 15 N 1.66 3.45 2.68 3.14 0.00 -1.21 -4.90 105.19 110.01 1pls n GLY 15 Ca 0.12 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1pls n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 16 N 0.00 1.69 -3.26 1.61 7.64 -1.26 -4.80 113.62 115.24 1pls n SER 16 Ca 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 58.87 57.21 1pls n SER 16 Cb 0.00 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 1pls n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pls s VAL 17 N -3.41 -0.78 -1.99 0.44 0.11 -1.26 -4.87 120.40 108.65 1pls s VAL 17 Ca 0.28 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1pls s VAL 17 Cb 0.43 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1pls s VAL 17 CO 0.01 -0.08 0.00 0.49 -3.33 0.00 0.00 175.10 172.19 1pls n PHE 18 N 5.39 -0.27 -2.99 1.54 3.72 -1.26 -3.80 117.46 119.79 1pls n PHE 18 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1pls n PHE 18 Cb 0.51 -3.41 -0.01 0.00 -0.94 0.00 0.00 39.48 35.63 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 -1.37 -6.21 -4.20 4.37 4.13 -1.26 -5.01 115.26 105.71 1pls n ASN 19 Ca -0.20 0.90 -0.28 0.00 1.68 0.00 0.00 54.58 56.68 1pls n ASN 19 Cb 0.65 -2.77 -0.07 0.00 -1.54 0.00 0.00 39.78 36.05 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 1.66 0.00 -3.37 3.41 -2.24 -1.25 -5.00 114.28 107.49 1pls n THR 20 Ca -0.07 -2.32 -0.21 0.00 -2.27 0.00 0.00 64.05 59.18 1pls n THR 20 Cb 0.28 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.91 0.14 -0.08 4.78 0.52 -1.26 -3.30 118.94 116.83 1pls s TRP 21 Ca 0.10 -1.26 -0.01 0.00 0.02 0.00 0.00 56.10 54.95 1pls s TRP 21 Cb 0.01 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1pls s TRP 21 CO 0.07 -0.92 -0.02 0.15 0.02 0.00 0.00 176.95 176.26 1pls s LYS 22 N 1.11 2.95 1.09 4.98 1.02 -1.26 -4.84 119.74 124.79 1pls s LYS 22 Ca 0.20 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.57 1pls s LYS 22 Cb -0.15 -2.75 0.09 0.00 -0.52 0.00 0.00 37.83 34.50 1pls s LYS 22 CO -0.03 0.68 0.07 -2.30 -0.92 0.00 0.00 175.35 172.85 1pls n PRO 23 N 2.20 -1.35 -3.59 -1.68 -0.02 -1.26 -2.36 135.00 126.93 1pls n PRO 23 Ca -0.18 -0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 60.88 1pls n PRO 23 Cb 0.53 -1.73 -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 -3.47 0.32 0.20 -0.52 0.23 0.15 -4.70 119.30 111.50 1pls s MET 24 Ca 0.56 -0.09 -0.13 0.00 -1.03 0.00 0.00 55.69 55.00 1pls s MET 24 Cb -0.13 0.15 -0.07 0.00 -1.53 0.00 0.00 34.83 33.24 1pls s MET 24 CO 0.66 -0.14 0.58 -0.46 -2.03 0.00 0.00 175.02 173.63 1pls s TRP 25 N -2.23 3.52 -0.17 3.16 -0.11 0.11 -1.01 118.94 122.21 1pls s TRP 25 Ca 0.08 1.03 -0.11 0.00 1.22 0.00 0.00 56.10 58.32 1pls s TRP 25 Cb -0.01 -2.36 0.05 0.00 -1.50 0.00 0.00 33.47 29.65 1pls s TRP 25 CO -0.05 0.34 0.41 0.54 -4.62 0.00 0.00 176.95 173.57 1pls s VAL 26 N -1.64 -0.02 -0.30 5.86 0.11 -0.86 0.03 120.40 123.59 1pls s VAL 26 Ca 0.43 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.55 1pls s VAL 26 Cb -0.13 -0.60 0.09 0.00 -1.53 0.00 0.00 36.38 34.20 1pls s VAL 26 CO 0.20 0.02 0.03 0.68 -3.33 0.00 0.00 175.10 172.70 1pls s VAL 27 N 0.97 1.60 -0.48 2.04 -7.23 -0.98 -1.73 120.40 114.58 1pls s VAL 27 Ca -0.06 -1.68 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 1pls s VAL 27 Cb -0.06 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1pls s VAL 27 CO -0.08 -0.46 0.87 -1.48 -0.31 0.00 0.00 175.10 173.64 1pls s LEU 28 N 1.29 4.15 0.49 1.32 2.34 -0.60 -2.34 118.68 125.32 1pls s LEU 28 Ca 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 54.13 54.12 1pls s LEU 28 Cb -0.18 -3.01 -0.00 0.00 -0.56 0.00 0.00 46.19 42.44 1pls s LEU 28 CO -0.13 -1.03 0.75 -0.76 -1.06 0.00 0.00 176.35 174.11 1pls s LEU 29 N 3.59 3.52 0.39 1.48 1.02 0.16 -1.94 118.68 126.90 1pls s LEU 29 Ca 0.32 0.46 0.28 0.00 0.02 0.00 0.00 54.13 55.20 1pls s LEU 29 Cb -0.12 -3.32 0.97 0.00 0.02 0.00 0.00 46.19 43.74 1pls s LEU 29 CO 0.23 -0.80 1.80 -0.33 0.02 0.00 0.00 176.35 177.27 1pls h GLU 30 N 0.21 0.00 -0.70 1.70 5.08 -1.92 -2.59 114.58 116.37 1pls h GLU 30 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1pls h GLU 30 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pls h GLU 30 CO 0.59 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.35 1pls n ASP 31 N -2.72 3.87 0.00 1.42 8.00 -1.26 -4.61 116.55 121.26 1pls n ASP 31 Ca 0.02 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1pls n ASP 31 Cb 0.35 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pls n GLY 32 N 1.65 -1.09 2.77 0.44 0.00 -0.97 -4.60 105.19 103.39 1pls n GLY 32 Ca 0.24 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.95 0.12 -0.13 -0.61 1.09 0.04 0.35 121.20 120.10 1pls s ILE 33 Ca 0.00 0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.73 1pls s ILE 33 Cb 0.00 -0.27 0.04 0.00 -1.06 0.00 0.00 42.46 41.17 1pls s ILE 33 CO 0.00 0.17 -0.02 -1.83 -0.10 0.00 0.00 174.94 173.15 1pls s GLU 34 N 1.46 1.05 0.09 2.79 -1.05 -0.99 0.35 118.70 122.40 1pls s GLU 34 Ca -0.04 -0.25 0.10 0.00 -0.15 0.00 0.00 54.97 54.64 1pls s GLU 34 Cb -0.13 -1.61 -0.04 0.00 -0.44 0.00 0.00 34.13 31.91 1pls s GLU 34 CO -0.03 -0.40 -0.26 -0.59 0.95 0.00 0.00 175.26 174.94 1pls s PHE 35 N 1.80 2.35 0.00 4.83 -0.12 -0.94 -2.31 117.98 123.58 1pls s PHE 35 Ca 0.03 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1pls s PHE 35 Cb -0.14 -1.32 0.00 0.00 -0.63 0.00 0.00 43.02 40.93 1pls s PHE 35 CO -0.07 0.26 0.00 0.66 -0.05 0.00 0.00 175.22 176.02 1pls n TYR 36 N 1.27 0.00 -0.08 3.49 4.02 0.10 -2.01 117.16 123.96 1pls n TYR 36 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 1pls n TYR 36 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 1pls n TYR 36 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1pls h LYS 37 N 0.00 0.00 0.00 -0.72 3.64 -1.82 0.32 116.57 117.99 1pls h LYS 37 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1pls h LYS 37 Cb 0.00 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1pls h LYS 37 CO 0.00 0.43 0.10 1.63 -2.27 0.00 0.00 179.45 179.35 1pls n LYS 38 N -4.56 -0.04 0.22 1.90 5.02 -1.26 -1.26 118.16 118.17 1pls n LYS 38 Ca -0.16 -2.47 0.15 0.00 -2.02 0.00 0.00 58.31 53.81 1pls n LYS 38 Cb 0.41 -0.60 0.60 0.00 -0.02 0.00 0.00 35.03 35.42 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 3.64 -1.94 -3.34 116.57 116.90 1pls h LYS 39 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1pls h LYS 39 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1pls h LYS 39 CO 0.32 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.93 1pls n SER 40 N -3.06 0.00 0.00 4.20 7.64 -1.26 -4.91 113.62 116.23 1pls n SER 40 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1pls n SER 40 Cb 0.68 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.24 -5.60 -1.31 6.43 2.03 -1.25 -2.77 116.55 111.84 1pls n ASP 41 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1pls n ASP 41 Cb 0.00 -3.15 -0.02 0.00 -0.72 0.00 0.00 41.12 37.23 1pls n ASP 41 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1pls n ASN 42 N -0.88 -1.70 -3.25 1.67 5.15 -1.26 -4.77 115.26 110.22 1pls n ASN 42 Ca 0.00 0.17 0.04 0.00 -0.60 0.00 0.00 54.58 54.19 1pls n ASN 42 Cb 0.44 -1.82 -0.03 0.00 -0.53 0.00 0.00 39.78 37.84 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1pls s SER 43 N -1.57 -0.42 0.13 1.20 0.15 -1.11 -5.14 113.70 106.93 1pls s SER 43 Ca 0.00 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 56.78 1pls s SER 43 Cb 0.00 1.42 -0.07 0.00 -1.71 0.00 0.00 66.02 65.66 1pls s SER 43 CO 0.00 -0.08 1.24 -2.16 1.20 0.00 0.00 173.24 173.44 1pls s PRO 44 N 2.58 4.43 0.21 5.44 0.04 -1.26 -4.64 135.00 141.79 1pls s PRO 44 Ca -0.01 1.89 0.23 0.00 0.04 0.00 0.00 61.00 63.14 1pls s PRO 44 Cb -0.07 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1pls s PRO 44 CO -0.14 -0.22 1.08 -0.22 0.04 0.00 0.00 177.00 177.53 1pls h LYS 45 N 6.09 0.00 -1.27 4.56 3.64 -1.74 -3.46 116.57 124.40 1pls h LYS 45 Ca -0.43 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.10 1pls h LYS 45 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1pls h LYS 45 CO 0.79 0.00 0.15 0.20 -2.27 0.00 0.00 179.45 178.32 1pls s GLY 46 N -4.31 -0.31 -0.14 5.01 0.00 -1.16 -5.07 107.32 101.34 1pls s GLY 46 Ca 0.00 2.89 0.02 0.00 0.00 0.00 0.00 44.72 47.63 1pls s GLY 46 CO 0.78 3.16 -0.21 1.06 0.00 0.00 0.00 173.10 177.89 1pls s MET 47 N 2.48 3.06 -0.23 2.90 -1.94 -1.26 -2.21 119.30 122.10 1pls s MET 47 Ca -0.04 -0.84 -0.19 0.00 -1.71 0.00 0.00 55.69 52.91 1pls s MET 47 Cb -0.07 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1pls s MET 47 CO -0.18 0.01 0.57 0.42 -0.01 0.00 0.00 175.02 175.84 1pls s ILE 48 N 0.77 5.04 0.31 2.53 1.01 0.15 -4.92 121.20 126.09 1pls s ILE 48 Ca -0.08 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 1pls s ILE 48 Cb -0.16 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1pls s ILE 48 CO -0.01 0.09 1.20 -2.16 0.00 0.00 0.00 174.94 174.06 1pls s PRO 49 N 2.15 4.49 -0.15 2.79 0.04 -1.26 -0.78 135.00 142.28 1pls s PRO 49 Ca 0.25 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 1pls s PRO 49 Cb -0.16 -3.12 0.12 0.00 0.04 0.00 0.00 34.50 31.39 1pls s PRO 49 CO 0.09 0.01 1.84 -0.11 0.04 0.00 0.00 177.00 178.87 1pls n LEU 50 N 0.97 5.49 0.00 -3.56 7.94 -1.26 -4.14 117.00 122.44 1pls n LEU 50 Ca -0.00 -2.68 0.00 0.00 -1.11 0.00 0.00 56.01 52.21 1pls n LEU 50 Cb 0.43 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1pls n LEU 50 CO 0.56 1.02 0.00 1.17 -1.11 0.00 0.00 177.39 179.03 1pls n LYS 51 N 0.73 0.00 -0.85 1.96 4.81 -1.26 -4.76 118.16 118.79 1pls n LYS 51 Ca 0.15 0.44 0.03 0.00 -0.87 0.00 0.00 58.31 58.07 1pls n LYS 51 Cb 0.59 -0.94 0.04 0.00 0.02 0.00 0.00 35.03 34.74 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 1.95 1.52 3.38 3.14 0.00 -1.26 -4.91 105.19 109.01 1pls n GLY 52 Ca 0.00 -0.55 -0.47 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.04 -1.56 -4.74 1.61 3.41 -1.26 -1.45 113.62 109.59 1pls n SER 53 Ca 0.06 1.07 -0.24 0.00 -0.26 0.00 0.00 58.87 59.49 1pls n SER 53 Cb 0.87 -0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.14 2.69 -0.09 6.66 -1.32 0.43 -4.62 115.64 118.26 1pls s THR 54 Ca 0.63 -1.69 -0.02 0.00 -1.21 0.00 0.00 61.69 59.39 1pls s THR 54 Cb -0.87 -2.97 0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1pls s THR 54 CO 0.57 -0.10 0.04 -0.22 -2.21 0.00 0.00 174.62 172.70 1pls s LEU 55 N -3.88 0.46 -0.12 9.08 1.98 -1.26 -1.95 118.68 122.99 1pls s LEU 55 Ca 0.40 -0.19 -0.03 0.00 -2.89 0.00 0.00 54.13 51.42 1pls s LEU 55 Cb 0.00 -0.32 -0.03 0.00 0.66 0.00 0.00 46.19 46.50 1pls s LEU 55 CO 0.23 -0.25 -0.02 -0.89 -1.89 0.00 0.00 176.35 173.53 1pls s THR 56 N 2.05 4.11 -0.17 3.68 2.01 -0.19 -4.96 115.64 122.18 1pls s THR 56 Ca 0.04 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1pls s THR 56 Cb -0.13 -2.76 0.08 0.00 0.01 0.00 0.00 72.50 69.70 1pls s THR 56 CO -0.05 0.55 0.37 -0.55 -0.69 0.00 0.00 174.62 174.25 1pls s SER 57 N -0.32 -0.08 0.11 3.53 0.15 -1.26 -2.08 113.70 113.74 1pls s SER 57 Ca 0.06 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1pls s SER 57 Cb -0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1pls s SER 57 CO 0.02 -0.23 0.00 -0.81 1.20 0.00 0.00 173.24 173.42 1pls n PRO 58 N 5.27 0.81 0.00 5.44 -0.04 -1.26 -5.13 135.00 140.09 1pls n PRO 58 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 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 3.35 0.00 0.00 7.27 -1.26 -4.36 117.38 122.38 1pls n GLN 60 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1pls n GLN 60 Cb 0.00 0.00 0.35 0.00 2.41 0.00 0.00 30.24 33.00 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 0.00 0.06 1.69 8.00 -1.26 -1.75 116.55 123.28 1pls n ASP 61 Ca 0.00 -0.20 0.02 0.00 0.71 0.00 0.00 54.79 55.32 1pls n ASP 61 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 1pls n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1pls h PHE 62 N 0.00 0.00 -0.01 1.24 0.04 -1.95 -3.33 116.94 112.93 1pls h PHE 62 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1pls h PHE 62 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1pls h PHE 62 CO 0.00 0.47 -0.08 0.78 -0.60 0.00 0.00 178.31 178.88 1pls h GLY 63 N 3.74 0.07 1.43 -1.45 0.00 -1.54 -2.68 103.07 102.65 1pls h GLY 63 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1pls h GLY 63 CO 0.04 0.10 0.28 1.70 0.00 0.00 0.00 176.54 178.66 1pls h LYS 64 N -0.62 0.00 0.00 4.80 3.11 -1.71 -3.07 116.57 119.08 1pls h LYS 64 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1pls h LYS 64 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1pls h LYS 64 CO 0.02 0.00 0.00 -2.13 -2.81 0.00 0.00 179.45 174.53 1pls n ARG 65 N -2.89 0.00 0.00 1.90 3.00 -1.13 -5.04 116.66 112.51 1pls n ARG 65 Ca -0.02 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1pls n ARG 65 Cb 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 32.46 32.17 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 -1.35 3.85 -3.24 -0.14 2.81 -1.02 -5.05 117.12 112.98 1pls n MET 66 Ca 0.00 0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.43 1pls n MET 66 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 1.71 3.78 -0.04 2.03 0.40 -1.26 -4.51 117.98 120.09 1pls s PHE 67 Ca 0.00 -2.10 0.04 0.00 -0.60 0.00 0.00 56.93 54.28 1pls s PHE 67 Cb 0.00 -3.94 -0.00 0.00 0.51 0.00 0.00 43.02 39.59 1pls s PHE 67 CO 0.00 -1.09 -0.16 0.54 0.70 0.00 0.00 175.22 175.20 1pls s VAL 68 N 0.29 1.36 0.51 -0.44 0.11 -1.26 -2.31 120.40 118.66 1pls s VAL 68 Ca 0.26 -0.69 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1pls s VAL 68 Cb -0.09 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1pls s VAL 68 CO -0.08 0.39 0.48 0.72 -3.33 0.00 0.00 175.10 173.28 1pls s PHE 69 N -0.04 1.95 -0.28 1.54 -0.71 -0.51 -2.62 117.98 117.31 1pls s PHE 69 Ca -0.02 -0.70 -0.03 0.00 -1.04 0.00 0.00 56.93 55.15 1pls s PHE 69 Cb -0.10 -2.07 0.11 0.00 -1.21 0.00 0.00 43.02 39.75 1pls s PHE 69 CO 0.01 -0.50 0.19 0.21 -1.34 0.00 0.00 175.22 173.79 1pls s LYS 70 N -4.31 0.23 0.44 1.99 2.20 -0.89 -2.53 119.74 116.87 1pls s LYS 70 Ca 0.45 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1pls s LYS 70 Cb -0.03 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.24 1pls s LYS 70 CO 0.27 -1.00 0.70 0.42 -0.36 0.00 0.00 175.35 175.38 1pls s ILE 71 N 2.20 4.89 -0.23 5.43 1.01 -0.73 -1.02 121.20 132.75 1pls s ILE 71 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1pls s ILE 71 Cb -0.15 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.57 1pls s ILE 71 CO -0.34 -0.70 0.13 -0.89 0.00 0.00 0.00 174.94 173.13 1pls s THR 72 N -2.59 -0.11 -0.49 2.92 2.01 -0.82 0.25 115.64 116.80 1pls s THR 72 Ca 0.45 -0.42 -0.35 0.00 0.31 0.00 0.00 61.69 61.68 1pls s THR 72 Cb -0.10 -0.77 -0.14 0.00 0.01 0.00 0.00 72.50 71.50 1pls s THR 72 CO 0.41 -0.47 2.29 1.07 -0.69 0.00 0.00 174.62 177.24 1pls n THR 73 N 5.27 0.09 -2.30 -0.82 5.66 -0.26 -0.43 114.28 121.50 1pls n THR 73 Ca -0.06 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1pls n THR 73 Cb 0.46 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1pls n THR 74 N 7.25 0.00 -1.90 1.09 5.66 -0.53 0.54 114.28 126.39 1pls n THR 74 Ca 0.47 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 1pls n THR 74 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -2.29 0.00 0.00 1.09 4.81 -0.74 -4.89 118.16 116.14 1pls n LYS 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pls n LYS 75 Cb 0.44 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1pls n GLN 76 N -0.69 0.00 -3.33 1.64 7.27 0.19 -5.09 117.38 117.37 1pls n GLN 76 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1pls n GLN 76 Cb 0.43 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.02 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 0.00 4.17 0.60 3.69 0.74 -1.26 -4.81 119.66 122.79 1pls s GLN 77 Ca 0.00 0.58 -0.03 0.00 0.05 0.00 0.00 55.36 55.96 1pls s GLN 77 Cb 0.00 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.85 1pls s GLN 77 CO 0.00 0.50 0.87 -0.51 -0.55 0.00 0.00 175.29 175.59 1pls s ASP 78 N -0.54 5.25 -0.30 6.67 1.11 -1.26 -1.10 116.67 126.50 1pls s ASP 78 Ca 0.27 0.32 0.01 0.00 0.18 0.00 0.00 52.55 53.33 1pls s ASP 78 Cb -0.17 -1.20 0.14 0.00 1.07 0.00 0.00 42.92 42.76 1pls s ASP 78 CO 0.15 -1.22 0.33 -1.00 1.18 0.00 0.00 175.17 174.60 1pls s HIS 79 N -2.94 -0.52 -0.28 4.23 3.76 0.14 -4.89 115.29 114.80 1pls s HIS 79 Ca 0.56 -0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 55.12 1pls s HIS 79 Cb -0.10 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1pls s HIS 79 CO 0.42 -0.94 0.36 -0.06 -0.85 0.00 0.00 174.74 173.67 1pls s PHE 80 N 2.23 3.24 0.20 1.40 0.08 -1.26 -1.77 117.98 122.11 1pls s PHE 80 Ca 0.11 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.52 1pls s PHE 80 Cb -0.14 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 1pls s PHE 80 CO -0.28 -0.24 0.08 -0.59 -0.10 0.00 0.00 175.22 174.09 1pls s PHE 81 N 2.05 1.25 -0.01 0.36 -0.71 -1.05 -1.48 117.98 118.38 1pls s PHE 81 Ca 0.14 -1.21 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1pls s PHE 81 Cb -0.16 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 40.96 1pls s PHE 81 CO 0.10 -0.42 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.36 1pls s GLN 82 N -4.05 0.55 0.00 1.99 0.74 -0.21 -1.42 119.66 117.27 1pls s GLN 82 Ca 0.33 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1pls s GLN 82 Cb 0.07 -0.55 0.00 0.00 1.10 0.00 0.00 33.01 33.63 1pls s GLN 82 CO 0.09 0.09 0.00 0.00 -0.55 0.00 0.00 175.29 174.92 1pls n ALA 83 N 3.14 0.00 0.00 1.58 0.00 -0.98 -2.17 120.51 122.08 1pls n ALA 83 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pls n ALA 83 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.94 0.00 -2.25 0.00 0.00 -1.26 -4.81 120.51 109.25 1pls n ALA 84 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pls n ALA 84 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.95 1.36 0.25 0.00 -0.12 -1.26 -4.80 117.98 111.46 1pls s PHE 85 Ca 0.00 -1.35 -0.03 0.00 -0.05 0.00 0.00 56.93 55.50 1pls s PHE 85 Cb 0.00 -0.70 0.45 0.00 -0.63 0.00 0.00 43.02 42.14 1pls s PHE 85 CO 0.00 -0.57 1.78 1.25 -0.05 0.00 0.00 175.22 177.63 1pls h LEU 86 N 2.47 0.56 0.27 -1.99 5.85 -1.98 0.11 115.31 120.60 1pls h LEU 86 Ca -0.35 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1pls h LEU 86 Cb 1.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1pls h LEU 86 CO 0.53 0.28 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.34 1pls h GLU 87 N 0.67 -0.80 0.00 1.25 4.81 -1.99 0.21 114.58 118.73 1pls h GLU 87 Ca 0.42 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1pls h GLU 87 Cb 0.50 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1pls h GLU 87 CO -0.31 -0.53 0.00 1.49 -0.73 0.00 0.00 179.01 178.93 1pls h GLU 88 N -0.83 0.00 0.20 1.92 4.81 -1.82 -1.24 114.58 117.61 1pls h GLU 88 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pls h GLU 88 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1pls h GLU 88 CO -0.19 0.00 -0.09 -0.09 -0.73 0.00 0.00 179.01 177.91 1pls h ARG 89 N 0.00 -0.25 0.00 1.92 1.12 0.20 -1.94 114.38 115.42 1pls h ARG 89 Ca 0.00 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1pls h ARG 89 Cb 0.20 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1pls h ARG 89 CO 0.00 -0.17 0.00 -3.47 -3.11 0.00 0.00 179.97 173.22 1pls n ASP 90 N -3.50 0.17 0.12 -3.80 2.03 -0.50 -1.89 116.55 109.18 1pls n ASP 90 Ca -0.03 0.54 -0.24 0.00 0.52 0.00 0.00 54.79 55.58 1pls n ASP 90 Cb 0.10 -0.58 -0.16 0.00 -0.72 0.00 0.00 41.12 39.77 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 2.42 -0.12 0.00 -1.67 0.00 -1.23 -2.60 119.26 116.07 1pls h ALA 91 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 54.91 53.89 1pls h ALA 91 Cb 0.27 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1pls h ALA 91 CO 0.00 0.65 -0.82 -1.49 0.00 0.00 0.00 179.25 177.59 1pls h TRP 92 N 0.02 0.00 -0.27 0.00 4.06 -1.06 -2.38 115.95 116.33 1pls h TRP 92 Ca -0.24 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.53 1pls h TRP 92 Cb 2.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.21 1pls h TRP 92 CO 0.14 0.82 -0.55 -0.39 -3.56 0.00 0.00 178.44 174.91 1pls h VAL 93 N 0.00 1.28 0.00 1.49 -1.51 -1.46 -1.96 116.25 114.10 1pls h VAL 93 Ca -0.01 -1.74 -0.06 0.00 -1.23 0.00 0.00 66.70 63.66 1pls h VAL 93 Cb 1.59 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 1pls h VAL 93 CO 0.11 0.56 -0.26 0.08 -1.23 0.00 0.00 177.57 176.83 1pls h ARG 94 N 0.62 0.00 0.03 5.19 0.11 -1.49 -1.00 114.38 117.85 1pls h ARG 94 Ca 0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 1pls h ARG 94 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1pls h ARG 94 CO 0.12 0.26 -0.02 -0.44 0.10 0.00 0.00 179.97 180.00 1pls h ASP 95 N 0.00 -0.04 0.49 0.08 3.32 -1.26 1.00 116.42 120.01 1pls h ASP 95 Ca -0.00 -0.66 -0.15 0.00 0.02 0.00 0.00 57.03 56.23 1pls h ASP 95 Cb 1.07 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1pls h ASP 95 CO 0.03 0.72 -0.67 0.40 -1.72 0.00 0.00 179.24 178.01 1pls h ILE 96 N -0.88 1.43 0.00 0.35 2.04 -1.44 -1.68 117.51 117.32 1pls h ILE 96 Ca -0.00 -2.17 -0.16 0.00 1.00 0.00 0.00 64.86 63.52 1pls h ILE 96 Cb 0.70 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1pls h ILE 96 CO 0.01 0.63 -0.78 -1.13 0.00 0.00 0.00 178.15 176.88 1pls h ASN 97 N 0.11 0.00 -0.00 1.72 -0.73 -1.27 -2.64 115.58 112.77 1pls h ASN 97 Ca -0.01 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.95 1pls h ASN 97 Cb 1.19 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.80 1pls h ASN 97 CO 0.10 0.78 -0.81 0.50 -0.37 0.00 0.00 177.43 177.63 1pls h LYS 98 N 0.00 0.55 -0.47 6.67 3.11 -0.65 -0.39 116.57 125.39 1pls h LYS 98 Ca -0.01 -0.59 -0.06 0.00 -2.81 0.00 0.00 60.65 57.19 1pls h LYS 98 Cb 1.51 0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 32.88 1pls h LYS 98 CO 0.10 1.21 0.06 0.00 -2.81 0.00 0.00 179.45 178.01 1pls h ALA 99 N 0.36 1.22 0.00 5.00 0.00 -1.36 0.29 119.26 124.78 1pls h ALA 99 Ca -0.10 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1pls h ALA 99 Cb 1.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1pls h ALA 99 CO 0.16 0.52 -0.84 0.82 0.00 0.00 0.00 179.25 179.91 1pls h ILE 100 N 0.71 1.53 0.00 0.00 2.04 -1.46 -2.10 117.51 118.23 1pls h ILE 100 Ca 0.15 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1pls h ILE 100 Cb 0.35 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1pls h ILE 100 CO 0.01 0.77 -0.19 1.17 0.00 0.00 0.00 178.15 179.91 1pls n LYS 101 N -3.62 0.13 -0.03 2.37 0.00 -0.16 -3.45 118.16 113.40 1pls n LYS 101 Ca -0.02 0.08 -0.06 0.00 0.00 0.00 0.00 58.31 58.31 1pls n LYS 101 Cb 0.79 -1.63 -0.13 0.00 0.00 0.00 0.00 35.03 34.06 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 0.00 1.21 0.00 0.00 6.09 -1.41 -0.86 117.51 122.54 1pls h ILE 103 Ca -0.31 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 1pls h ILE 103 Cb 1.92 1.18 0.00 0.00 0.47 0.00 0.00 36.82 40.39 1pls h ILE 103 CO 0.05 0.29 0.00 -0.62 -3.07 0.00 0.00 178.15 174.80 1pls n GLU 104 N -4.24 0.11 -0.08 2.19 -0.58 -1.24 -2.01 120.64 114.78 1pls n GLU 104 Ca -0.00 0.32 0.04 0.00 -0.42 0.00 0.00 57.16 57.10 1pls n GLU 104 Cb 0.30 -1.70 0.09 0.00 -0.57 0.00 0.00 31.44 29.55 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pls n GLY 105 N 0.13 1.65 2.49 0.62 0.00 -0.42 -4.69 105.19 104.98 1pls n GLY 105 Ca 0.03 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 0.31 7.15 -4.42 0.99 -0.00 -0.65 -4.90 117.00 115.49 1pls n LEU 106 Ca 0.07 -4.44 -0.36 0.00 -0.00 0.00 0.00 56.01 51.28 1pls n LEU 106 Cb 0.32 -1.28 -0.13 0.00 -0.00 0.00 0.00 43.42 42.33 1pls n LEU 106 CO 0.06 1.88 -0.31 -1.61 -0.00 0.00 0.00 177.39 177.40 1pls s GLU 107 N -1.58 3.60 -0.25 1.96 2.02 -1.26 -4.95 118.70 118.23 1pls s GLU 107 Ca 0.56 -0.51 0.22 0.00 0.02 0.00 0.00 54.97 55.26 1pls s GLU 107 Cb 0.30 -3.23 0.49 0.00 0.10 0.00 0.00 34.13 31.79 1pls s GLU 107 CO -0.17 -0.16 1.17 1.58 0.02 0.00 0.00 175.26 177.71 1pls n HIS 108 N 4.79 0.72 -0.02 1.61 -0.00 -1.26 -5.11 115.22 115.95 1pls n HIS 108 Ca -0.17 -1.98 0.00 0.00 0.46 0.00 0.00 57.72 56.04 1pls n HIS 108 Cb 0.51 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1pls n HIS 109 N -0.67 -0.87 0.00 1.57 -0.00 -1.26 -4.27 115.22 109.72 1pls n HIS 109 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1pls n HIS 109 Cb 0.83 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.70 1pls n HIS 109 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 110 N -0.89 0.00 -2.05 1.57 8.25 -1.26 -4.37 115.22 116.47 1pls n HIS 110 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1pls n HIS 110 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1pls n HIS 110 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1pls s HIS 111 N 0.00 1.75 -0.36 4.41 3.76 -1.26 -4.94 115.29 118.64 1pls s HIS 111 Ca 0.00 0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 55.46 1pls s HIS 111 Cb 0.00 -4.11 0.00 0.00 1.11 0.00 0.00 32.58 29.58 1pls s HIS 111 CO 0.00 -2.45 0.58 -1.58 -0.85 0.00 0.00 174.74 170.44 1pls s HIS 112 N 8.27 3.15 -0.92 1.40 2.46 -1.26 -4.95 115.29 123.44 1pls s HIS 112 Ca 0.70 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.45 1pls s HIS 112 Cb -0.15 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.22 1pls s HIS 112 CO 0.25 -0.62 0.23 1.58 -2.47 0.00 0.00 174.74 173.71