#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 -0.73 -7.30 2.12 5.08 -1.89 -3.41 114.58 108.45 1pls h GLU 2 Ca 0.00 0.05 -0.51 0.00 -1.00 0.00 0.00 59.36 57.90 1pls h GLU 2 Cb 0.00 0.17 0.11 0.00 0.50 0.00 0.00 28.75 29.53 1pls h GLU 2 CO 0.00 -0.49 0.35 -1.25 -1.00 0.00 0.00 179.01 176.62 1pls s PRO 3 N -5.35 2.62 -0.12 2.33 0.04 -1.26 -4.57 135.00 128.70 1pls s PRO 3 Ca -0.14 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 61.94 1pls s PRO 3 Cb 0.04 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1pls s PRO 3 CO 0.50 -1.36 0.17 1.63 0.04 0.00 0.00 177.00 177.98 1pls n LYS 4 N -3.14 -3.87 -1.23 4.56 5.02 -1.26 -4.83 118.16 113.41 1pls n LYS 4 Ca 0.09 2.95 0.01 0.00 -2.02 0.00 0.00 58.31 59.34 1pls n LYS 4 Cb 0.53 -4.02 -0.01 0.00 -0.02 0.00 0.00 35.03 31.52 1pls n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pls n ARG 5 N 1.92 -3.19 -0.00 1.97 0.63 -1.26 -4.83 116.66 111.90 1pls n ARG 5 Ca -0.28 2.49 -0.03 0.00 -0.92 0.00 0.00 57.85 59.11 1pls n ARG 5 Cb 0.44 -3.15 -0.01 0.00 0.45 0.00 0.00 32.46 30.19 1pls n ARG 5 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1pls n ILE 6 N -2.51 1.13 -4.27 5.15 5.41 -1.00 -4.63 119.36 118.64 1pls n ILE 6 Ca -0.01 0.29 -0.27 0.00 1.00 0.00 0.00 62.75 63.77 1pls n ILE 6 Cb 0.40 -1.77 -0.09 0.00 -0.71 0.00 0.00 39.64 37.47 1pls n ILE 6 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1pls s ARG 7 N -2.14 2.14 -0.29 0.38 1.81 -1.00 -4.86 118.95 114.98 1pls s ARG 7 Ca -0.09 -1.24 -0.16 0.00 -1.72 0.00 0.00 55.73 52.52 1pls s ARG 7 Cb 0.01 -2.20 0.12 0.00 -0.45 0.00 0.00 34.95 32.44 1pls s ARG 7 CO 0.14 0.44 0.89 -1.83 -0.68 0.00 0.00 175.30 174.26 1pls s GLU 8 N -2.86 0.48 0.00 3.54 -1.05 -1.26 -0.18 118.70 117.37 1pls s GLU 8 Ca 0.25 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 55.90 1pls s GLU 8 Cb -0.09 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 1pls s GLU 8 CO 0.16 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.68 1pls n GLY 9 N 3.82 3.59 2.56 -3.83 0.00 -0.58 -4.98 105.19 105.78 1pls n GLY 9 Ca -0.19 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.73 1.20 0.25 1.61 1.13 -1.26 -1.52 117.35 118.03 1pls s TYR 10 Ca 0.00 -1.93 0.09 0.00 -1.41 0.00 0.00 57.07 53.82 1pls s TYR 10 Cb 0.00 -1.28 -0.04 0.00 -1.10 0.00 0.00 41.96 39.53 1pls s TYR 10 CO 0.00 -0.81 0.03 -0.51 -2.51 0.00 0.00 175.55 171.75 1pls s LEU 11 N 0.80 3.31 0.03 -3.49 2.01 0.99 -4.53 118.68 117.80 1pls s LEU 11 Ca 0.18 -0.54 -0.26 0.00 0.01 0.00 0.00 54.13 53.52 1pls s LEU 11 Cb -0.24 -1.86 -0.05 0.00 0.01 0.00 0.00 46.19 44.05 1pls s LEU 11 CO 0.01 0.01 0.82 0.54 1.01 0.00 0.00 176.35 178.74 1pls s VAL 12 N -2.18 4.78 0.24 -1.59 0.11 -0.66 -0.29 120.40 120.81 1pls s VAL 12 Ca 0.31 1.73 0.11 0.00 -2.93 0.00 0.00 61.98 61.21 1pls s VAL 12 Cb -0.07 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.57 1pls s VAL 12 CO 0.20 0.30 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.33 1pls s LYS 13 N 0.30 1.69 -0.58 1.54 2.20 -0.99 -0.84 119.74 123.06 1pls s LYS 13 Ca 0.42 -1.61 -0.15 0.00 -0.36 0.00 0.00 55.97 54.26 1pls s LYS 13 Cb -0.20 -1.86 0.14 0.00 -1.51 0.00 0.00 37.83 34.40 1pls s LYS 13 CO 0.24 0.37 0.53 0.21 -0.36 0.00 0.00 175.35 176.34 1pls s LYS 14 N -3.14 3.05 0.00 4.03 2.36 -0.36 -3.66 119.74 122.03 1pls s LYS 14 Ca 0.26 -1.82 0.00 0.00 -2.55 0.00 0.00 55.97 51.86 1pls s LYS 14 Cb -0.07 -4.30 0.00 0.00 -1.05 0.00 0.00 37.83 32.41 1pls s LYS 14 CO 0.13 -1.32 0.00 0.41 1.55 0.00 0.00 175.35 176.12 1pls n GLY 15 N 5.05 -2.02 0.42 5.54 0.00 -1.26 -4.70 105.19 108.21 1pls n GLY 15 Ca -0.10 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1pls n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 16 N 0.00 0.00 -3.15 1.61 2.88 -1.26 -5.03 113.62 108.67 1pls n SER 16 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1pls n SER 16 Cb 0.00 0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1pls n SER 16 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pls s VAL 17 N -1.21 -0.03 0.49 2.46 0.11 -1.26 -5.13 120.40 115.82 1pls s VAL 17 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1pls s VAL 17 Cb 0.00 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1pls s VAL 17 CO 0.00 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.26 1pls n PHE 18 N 5.32 -3.31 -1.38 1.54 3.01 -1.26 -4.31 117.46 117.07 1pls n PHE 18 Ca -0.02 1.79 -0.51 0.00 1.01 0.00 0.00 57.45 59.72 1pls n PHE 18 Cb 0.56 -3.01 -0.12 0.00 -0.01 0.00 0.00 39.48 36.91 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pls n ASN 19 N -4.25 0.92 -3.77 4.37 4.13 -1.26 -4.86 115.26 110.55 1pls n ASN 19 Ca -0.06 0.39 -0.13 0.00 1.68 0.00 0.00 54.58 56.46 1pls n ASN 19 Cb 0.63 -1.01 -0.09 0.00 -1.54 0.00 0.00 39.78 37.76 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 7.62 0.04 -0.19 3.41 -4.23 -1.26 -5.13 115.64 115.89 1pls s THR 20 Ca 1.22 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1pls s THR 20 Cb -1.23 -0.54 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1pls s THR 20 CO 0.55 -0.19 -0.07 0.26 -0.54 0.00 0.00 174.62 174.63 1pls s TRP 21 N -0.85 2.06 -0.01 3.99 0.52 -1.26 -4.27 118.94 119.12 1pls s TRP 21 Ca -0.09 -1.39 0.00 0.00 0.02 0.00 0.00 56.10 54.64 1pls s TRP 21 Cb -0.04 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1pls s TRP 21 CO 0.03 -0.69 -0.01 0.15 0.02 0.00 0.00 176.95 176.45 1pls s LYS 22 N 1.51 0.16 0.70 4.98 -0.14 -1.24 -4.99 119.74 120.72 1pls s LYS 22 Ca -0.01 0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.44 1pls s LYS 22 Cb -0.16 -0.24 -0.02 0.00 -1.68 0.00 0.00 37.83 35.72 1pls s LYS 22 CO -0.08 -0.04 0.79 -2.30 -0.76 0.00 0.00 175.35 172.97 1pls n PRO 23 N 3.49 0.48 -3.74 -1.68 -0.02 -1.26 -2.34 135.00 129.92 1pls n PRO 23 Ca -0.18 0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1pls n PRO 23 Cb 0.56 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.99 1.40 0.02 -0.52 0.23 0.60 -4.78 119.30 113.27 1pls s MET 24 Ca 0.71 -0.74 -0.09 0.00 -1.03 0.00 0.00 55.69 54.54 1pls s MET 24 Cb -0.36 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.39 1pls s MET 24 CO 0.53 -0.64 0.32 -0.46 -2.03 0.00 0.00 175.02 172.74 1pls s TRP 25 N -3.57 3.60 -0.16 3.16 -0.11 0.79 -0.01 118.94 122.65 1pls s TRP 25 Ca 0.10 0.70 -0.14 0.00 1.22 0.00 0.00 56.10 57.97 1pls s TRP 25 Cb -0.03 -2.08 0.04 0.00 -1.50 0.00 0.00 33.47 29.90 1pls s TRP 25 CO 0.02 0.60 0.42 0.54 -4.62 0.00 0.00 176.95 173.90 1pls s VAL 26 N -1.28 -0.00 -0.20 5.86 0.11 -0.57 -0.05 120.40 124.26 1pls s VAL 26 Ca 0.28 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1pls s VAL 26 Cb -0.14 -0.59 0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1pls s VAL 26 CO 0.15 0.00 -0.07 0.68 -3.33 0.00 0.00 175.10 172.53 1pls s VAL 27 N 0.24 1.47 -0.62 2.04 -7.23 -1.02 -1.53 120.40 113.76 1pls s VAL 27 Ca -0.00 -1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 1pls s VAL 27 Cb -0.03 -1.65 0.05 0.00 0.56 0.00 0.00 36.38 35.31 1pls s VAL 27 CO 0.00 0.06 1.01 -1.48 -0.31 0.00 0.00 175.10 174.38 1pls s LEU 28 N 1.45 4.05 0.36 1.32 0.05 0.74 -2.48 118.68 124.17 1pls s LEU 28 Ca -0.02 -0.58 -0.07 0.00 0.05 0.00 0.00 54.13 53.51 1pls s LEU 28 Cb -0.17 -2.66 -0.05 0.00 -2.05 0.00 0.00 46.19 41.26 1pls s LEU 28 CO -0.07 -1.40 0.66 -0.76 -0.55 0.00 0.00 176.35 174.23 1pls s LEU 29 N 4.28 3.91 0.51 1.48 1.02 0.13 -2.38 118.68 127.63 1pls s LEU 29 Ca 0.29 0.88 0.32 0.00 0.02 0.00 0.00 54.13 55.64 1pls s LEU 29 Cb -0.13 -3.74 1.32 0.00 0.02 0.00 0.00 46.19 43.65 1pls s LEU 29 CO 0.16 -0.33 1.95 -0.08 0.02 0.00 0.00 176.35 178.07 1pls h GLU 30 N 1.27 0.00 -0.28 1.70 4.81 -1.91 -2.58 114.58 117.59 1pls h GLU 30 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1pls h GLU 30 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1pls h GLU 30 CO 0.64 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.67 1pls n ASP 31 N -2.98 2.97 0.00 1.04 9.92 -1.26 -4.68 116.55 121.56 1pls n ASP 31 Ca 0.01 -1.87 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 1pls n ASP 31 Cb 0.30 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pls n GLY 32 N 1.05 -2.56 2.73 0.44 0.00 -0.97 -4.38 105.19 101.51 1pls n GLY 32 Ca 0.14 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 0.22 -0.15 -0.61 -1.09 1.00 0.17 121.20 118.73 1pls s ILE 33 Ca 0.00 0.19 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1pls s ILE 33 Cb 0.00 -0.43 0.03 0.00 -1.58 0.00 0.00 42.46 40.48 1pls s ILE 33 CO 0.00 0.21 -0.08 -1.83 -1.23 0.00 0.00 174.94 172.00 1pls s GLU 34 N 2.03 1.72 0.08 2.79 -1.05 -1.04 -0.08 118.70 123.16 1pls s GLU 34 Ca 0.05 -0.51 0.10 0.00 -0.15 0.00 0.00 54.97 54.45 1pls s GLU 34 Cb -0.12 -1.99 -0.03 0.00 -0.44 0.00 0.00 34.13 31.54 1pls s GLU 34 CO -0.05 -0.35 -0.26 -0.59 0.95 0.00 0.00 175.26 174.97 1pls s PHE 35 N 1.58 2.21 0.26 4.83 -0.12 -1.01 -2.43 117.98 123.30 1pls s PHE 35 Ca 0.02 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1pls s PHE 35 Cb -0.14 -1.27 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 1pls s PHE 35 CO -0.08 0.21 0.34 1.52 -0.05 0.00 0.00 175.22 177.16 1pls s TYR 36 N -0.93 0.91 0.05 3.49 -0.85 0.93 -1.28 117.35 119.66 1pls s TYR 36 Ca 0.12 -1.16 -0.32 0.00 -0.52 0.00 0.00 57.07 55.19 1pls s TYR 36 Cb -0.10 -0.20 -0.18 0.00 0.38 0.00 0.00 41.96 41.86 1pls s TYR 36 CO 0.04 -0.90 1.43 0.87 -1.52 0.00 0.00 175.55 175.47 1pls h LYS 37 N 2.33 -1.11 0.00 -3.49 1.57 -1.87 0.23 116.57 114.23 1pls h LYS 37 Ca -0.30 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1pls h LYS 37 Cb 1.25 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1pls h LYS 37 CO 0.42 -0.74 0.00 1.63 -0.57 0.00 0.00 179.45 180.19 1pls n LYS 38 N -5.22 0.03 0.00 3.15 4.76 -1.26 -2.22 118.16 117.40 1pls n LYS 38 Ca -0.14 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.36 1pls n LYS 38 Cb 0.45 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 34.00 1pls n LYS 38 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pls n LYS 39 N -0.93 0.88 0.00 1.97 5.02 -1.26 -4.36 118.16 119.49 1pls n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pls n LYS 39 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1pls n LYS 39 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pls n SER 40 N -0.72 0.00 -1.10 4.39 7.64 -1.26 -4.99 113.62 117.58 1pls n SER 40 Ca 0.09 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.89 1pls n SER 40 Cb 0.04 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.65 -2.41 -1.44 6.43 2.03 -1.26 -1.69 116.55 116.56 1pls n ASP 41 Ca 0.00 0.20 -0.01 0.00 0.52 0.00 0.00 54.79 55.50 1pls n ASP 41 Cb 0.00 -2.31 -0.00 0.00 -0.72 0.00 0.00 41.12 38.09 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 0.14 -0.46 0.00 1.67 5.15 -1.26 -4.69 115.26 115.80 1pls n ASN 42 Ca -0.08 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1pls n ASN 42 Cb 0.29 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1pls n ASN 42 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1pls n SER 43 N 0.22 0.00 -4.77 1.20 2.88 -0.68 -5.15 113.62 107.32 1pls n SER 43 Ca -0.01 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.14 1pls n SER 43 Cb 0.16 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1pls n SER 43 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1pls s PRO 44 N 0.00 4.28 0.00 -1.46 0.04 -1.26 -4.79 135.00 131.80 1pls s PRO 44 Ca 0.00 1.85 0.27 0.00 0.04 0.00 0.00 61.00 63.16 1pls s PRO 44 Cb 0.00 -2.86 0.81 0.00 0.04 0.00 0.00 34.50 32.48 1pls s PRO 44 CO 0.00 -0.13 1.60 1.17 0.04 0.00 0.00 177.00 179.68 1pls n LYS 45 N 0.48 0.74 -3.61 4.56 3.00 -0.41 -4.86 118.16 118.05 1pls n LYS 45 Ca 0.02 -0.41 0.03 0.00 -0.00 0.00 0.00 58.31 57.95 1pls n LYS 45 Cb 0.46 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.94 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1pls s GLY 46 N -2.55 0.65 -0.09 3.14 0.00 -1.23 -5.06 107.32 102.19 1pls s GLY 46 Ca 0.24 3.88 0.02 0.00 0.00 0.00 0.00 44.72 48.86 1pls s GLY 46 CO 0.53 2.84 -0.14 1.06 0.00 0.00 0.00 173.10 177.38 1pls s MET 47 N 1.10 2.00 -0.12 2.90 -1.94 -1.26 -2.41 119.30 119.57 1pls s MET 47 Ca -0.07 -0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 53.26 1pls s MET 47 Cb -0.02 -1.68 -0.05 0.00 2.01 0.00 0.00 34.83 35.09 1pls s MET 47 CO -0.10 -0.02 0.36 0.42 -0.01 0.00 0.00 175.02 175.67 1pls s ILE 48 N 0.84 5.24 0.55 2.53 1.01 0.88 -4.88 121.20 127.37 1pls s ILE 48 Ca -0.10 0.70 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 1pls s ILE 48 Cb -0.15 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1pls s ILE 48 CO 0.01 0.40 1.09 -2.16 0.00 0.00 0.00 174.94 174.28 1pls s PRO 49 N 0.24 3.39 0.00 2.79 0.04 -1.26 -0.00 135.00 140.21 1pls s PRO 49 Ca 0.20 1.43 0.20 0.00 0.04 0.00 0.00 61.00 62.87 1pls s PRO 49 Cb -0.14 -2.03 0.65 0.00 0.04 0.00 0.00 34.50 33.02 1pls s PRO 49 CO 0.07 -0.78 1.49 1.28 0.04 0.00 0.00 177.00 179.10 1pls n LEU 50 N -1.51 1.93 0.00 -3.56 7.99 -1.26 -4.47 117.00 116.12 1pls n LEU 50 Ca 0.10 -0.84 0.00 0.00 -0.01 0.00 0.00 56.01 55.27 1pls n LEU 50 Cb 0.52 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1pls n LEU 50 CO 0.43 0.42 0.45 1.17 -1.51 0.00 0.00 177.39 178.35 1pls n LYS 51 N 0.50 0.00 -2.73 3.23 3.00 -1.26 -4.56 118.16 116.34 1pls n LYS 51 Ca 0.16 0.61 -0.06 0.00 -0.00 0.00 0.00 58.31 59.02 1pls n LYS 51 Cb 0.36 -1.39 0.04 0.00 0.00 0.00 0.00 35.03 34.04 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pls n GLY 52 N -0.94 -0.64 3.78 3.14 0.00 -1.26 -4.64 105.19 104.62 1pls n GLY 52 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 2.21 -0.16 -3.74 1.61 2.88 -1.26 -2.47 113.62 112.68 1pls n SER 53 Ca 0.12 -1.44 -0.28 0.00 -1.33 0.00 0.00 58.87 55.93 1pls n SER 53 Cb 0.62 -1.01 -0.16 0.00 -0.75 0.00 0.00 64.21 62.91 1pls n SER 53 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pls s THR 54 N -3.77 0.65 -0.30 2.46 -4.23 0.07 -4.79 115.64 105.72 1pls s THR 54 Ca 0.74 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 60.27 1pls s THR 54 Cb -0.03 -1.21 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 1pls s THR 54 CO 0.53 -0.31 0.65 -0.22 -0.54 0.00 0.00 174.62 174.73 1pls s LEU 55 N 1.78 4.13 -0.15 4.79 1.98 -1.26 -0.06 118.68 129.89 1pls s LEU 55 Ca 0.01 0.50 -0.05 0.00 -2.89 0.00 0.00 54.13 51.70 1pls s LEU 55 Cb -0.17 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 1pls s LEU 55 CO -0.12 -0.48 0.01 -0.89 -1.89 0.00 0.00 176.35 172.97 1pls s THR 56 N 2.65 4.33 -0.07 3.68 2.01 -0.43 -4.98 115.64 122.82 1pls s THR 56 Ca 0.26 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1pls s THR 56 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 72.50 69.50 1pls s THR 56 CO 0.11 0.50 0.14 -0.94 -0.69 0.00 0.00 174.62 173.74 1pls s SER 57 N 0.11 0.34 0.18 3.53 1.04 -1.26 -2.42 113.70 115.22 1pls s SER 57 Ca 0.02 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1pls s SER 57 Cb -0.13 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1pls s SER 57 CO 0.02 -0.19 0.00 -0.81 0.98 0.00 0.00 173.24 173.23 1pls n PRO 58 N 4.74 0.70 0.00 4.02 -0.04 -1.26 -5.13 135.00 138.03 1pls n PRO 58 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1pls n PRO 58 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 3.49 -0.25 0.00 10.64 -1.26 -4.89 117.38 125.10 1pls n GLN 60 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1pls n GLN 60 Cb 0.00 0.00 0.12 0.00 -0.86 0.00 0.00 30.24 29.50 1pls n GLN 60 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1pls n ASP 61 N 0.00 2.33 -4.46 2.61 9.92 -1.26 -4.28 116.55 121.40 1pls n ASP 61 Ca 0.00 -2.26 -0.44 0.00 -0.53 0.00 0.00 54.79 51.56 1pls n ASP 61 Cb 0.00 -0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 39.93 1pls n ASP 61 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1pls s PHE 62 N -1.51 3.30 0.00 1.24 2.19 -1.26 -4.39 117.98 117.55 1pls s PHE 62 Ca 0.16 -1.79 0.00 0.00 0.33 0.00 0.00 56.93 55.63 1pls s PHE 62 Cb 0.12 -4.33 0.00 0.00 -1.31 0.00 0.00 43.02 37.50 1pls s PHE 62 CO 0.05 -1.46 0.00 0.41 1.83 0.00 0.00 175.22 176.05 1pls n GLY 63 N 4.78 2.92 2.06 13.12 0.00 -1.26 -4.81 105.19 122.01 1pls n GLY 63 Ca 0.32 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.26 -0.29 1.61 4.81 -1.26 -4.69 118.16 116.08 1pls n LYS 64 Ca 0.00 0.13 0.03 0.00 -0.87 0.00 0.00 58.31 57.60 1pls n LYS 64 Cb 0.00 -4.49 0.15 0.00 0.02 0.00 0.00 35.03 30.71 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 -2.11 2.28 -0.96 1.64 1.74 -1.26 -4.83 116.66 113.17 1pls n ARG 65 Ca -0.03 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 1pls n ARG 65 Cb 0.38 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.30 -1.24 -1.14 5.56 2.81 -1.26 -4.74 117.12 117.40 1pls n MET 66 Ca 0.11 0.31 0.04 0.00 -1.81 0.00 0.00 57.70 56.35 1pls n MET 66 Cb 0.50 -4.36 0.06 0.00 -0.71 0.00 0.00 33.22 28.71 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 -2.25 0.00 -4.49 2.03 3.72 -1.26 -4.50 117.46 110.71 1pls n PHE 67 Ca 0.00 -0.64 -0.27 0.00 -0.05 0.00 0.00 57.45 56.49 1pls n PHE 67 Cb 0.31 -0.16 -0.17 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.72 1.29 0.36 -4.37 0.11 -1.26 -1.74 120.40 114.07 1pls s VAL 68 Ca 0.30 -0.54 0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1pls s VAL 68 Cb 0.33 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1pls s VAL 68 CO -0.12 0.40 0.20 0.72 -3.33 0.00 0.00 175.10 172.97 1pls s PHE 69 N 0.89 2.72 -0.24 1.54 -0.71 -0.95 -3.08 117.98 118.16 1pls s PHE 69 Ca -0.10 -0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1pls s PHE 69 Cb -0.15 -1.78 0.08 0.00 -1.21 0.00 0.00 43.02 39.96 1pls s PHE 69 CO 0.01 0.23 0.07 0.21 -1.34 0.00 0.00 175.22 174.40 1pls s LYS 70 N -3.91 0.57 0.53 1.99 2.20 -1.02 -2.52 119.74 117.58 1pls s LYS 70 Ca 0.40 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 1pls s LYS 70 Cb -0.02 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.39 1pls s LYS 70 CO 0.24 -0.81 0.80 0.42 -0.36 0.00 0.00 175.35 175.64 1pls s ILE 71 N 1.84 3.68 -0.34 5.43 1.01 -0.95 -1.32 121.20 130.56 1pls s ILE 71 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1pls s ILE 71 Cb -0.17 -3.42 0.14 0.00 0.01 0.00 0.00 42.46 39.02 1pls s ILE 71 CO -0.18 -0.36 0.28 -0.89 0.00 0.00 0.00 174.94 173.79 1pls s THR 72 N -2.80 -0.18 0.70 2.92 2.01 0.91 -1.41 115.64 117.79 1pls s THR 72 Ca 0.52 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 1pls s THR 72 Cb -0.10 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1pls s THR 72 CO 0.42 -0.70 0.28 0.35 -0.69 0.00 0.00 174.62 174.27 1pls n THR 73 N 4.51 1.29 -1.49 -0.82 -2.24 -0.50 -0.75 114.28 114.28 1pls n THR 73 Ca 0.07 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1pls n THR 73 Cb 0.43 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.19 0.00 0.00 4.28 5.66 -1.03 -2.91 114.28 118.08 1pls n THR 74 Ca 0.09 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1pls n THR 74 Cb 0.50 -1.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 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 7.39 0.00 0.00 1.09 5.02 -1.26 -4.95 118.16 125.45 1pls n LYS 75 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1pls n LYS 75 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.00 0.00 -3.28 1.97 10.64 -1.15 -5.10 117.38 120.46 1pls n GLN 76 Ca 0.00 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.73 1pls n GLN 76 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 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 3.05 0.27 2.61 -0.21 -1.25 -4.92 119.66 119.20 1pls s GLN 77 Ca 0.00 -1.10 -0.23 0.00 0.02 0.00 0.00 55.36 54.05 1pls s GLN 77 Cb 0.00 -4.11 -0.09 0.00 1.00 0.00 0.00 33.01 29.81 1pls s GLN 77 CO 0.00 -1.10 0.83 0.16 -2.12 0.00 0.00 175.29 173.06 1pls s ASP 78 N 2.59 7.22 -0.34 5.90 1.47 -1.26 -1.41 116.67 130.83 1pls s ASP 78 Ca 0.10 1.64 -0.01 0.00 1.18 0.00 0.00 52.55 55.46 1pls s ASP 78 Cb -0.21 -2.50 0.13 0.00 -0.34 0.00 0.00 42.92 40.00 1pls s ASP 78 CO 0.10 -0.00 0.20 -1.00 0.68 0.00 0.00 175.17 175.14 1pls s HIS 79 N -1.54 0.66 -0.16 2.11 3.76 -0.50 -4.93 115.29 114.70 1pls s HIS 79 Ca 0.46 -1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 53.70 1pls s HIS 79 Cb -0.18 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 1pls s HIS 79 CO 0.23 -0.83 0.41 -0.06 -0.85 0.00 0.00 174.74 173.64 1pls s PHE 80 N 1.25 3.45 -0.06 1.40 0.40 -1.26 -2.23 117.98 120.93 1pls s PHE 80 Ca 0.16 0.74 -0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1pls s PHE 80 Cb -0.22 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 40.83 1pls s PHE 80 CO -0.06 0.12 0.19 -0.59 0.70 0.00 0.00 175.22 175.58 1pls s PHE 81 N 0.84 -0.18 -0.01 0.36 -0.12 -1.05 -1.22 117.98 116.61 1pls s PHE 81 Ca 0.22 0.42 0.02 0.00 -0.05 0.00 0.00 56.93 57.54 1pls s PHE 81 Cb -0.14 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 1pls s PHE 81 CO 0.08 -0.14 -0.05 -1.14 -0.05 0.00 0.00 175.22 173.92 1pls s GLN 82 N -0.18 2.63 0.00 1.99 0.74 -0.02 -2.23 119.66 122.59 1pls s GLN 82 Ca -0.03 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1pls s GLN 82 Cb -0.02 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1pls s GLN 82 CO 0.01 0.62 0.00 0.00 -0.55 0.00 0.00 175.29 175.36 1pls n ALA 83 N 1.60 0.00 0.11 1.58 0.00 -0.71 -1.65 120.51 121.44 1pls n ALA 83 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1pls n ALA 83 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 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 2.95 -3.78 0.00 0.00 -1.26 -4.77 120.51 110.64 1pls n ALA 84 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 1pls n ALA 84 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.26 -0.08 0.27 0.00 -0.71 -1.26 -5.02 117.98 107.92 1pls s PHE 85 Ca -0.05 -0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 55.57 1pls s PHE 85 Cb 0.13 0.66 0.47 0.00 -1.21 0.00 0.00 43.02 43.06 1pls s PHE 85 CO 0.80 -0.87 1.87 1.25 -1.34 0.00 0.00 175.22 176.93 1pls h LEU 86 N 2.00 1.00 0.29 -1.99 5.85 -1.91 -0.93 115.31 119.62 1pls h LEU 86 Ca -0.25 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1pls h LEU 86 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1pls h LEU 86 CO 0.28 0.60 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.44 1pls h GLU 87 N 1.11 -0.76 0.00 1.25 4.81 -1.95 0.10 114.58 119.13 1pls h GLU 87 Ca 0.46 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1pls h GLU 87 Cb 0.29 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1pls h GLU 87 CO -0.21 -0.51 0.00 1.49 -0.73 0.00 0.00 179.01 179.05 1pls h GLU 88 N -0.79 0.00 0.24 1.92 4.81 -1.89 -1.95 114.58 116.92 1pls h GLU 88 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1pls h GLU 88 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1pls h GLU 88 CO -0.15 0.00 -0.11 -0.09 -0.73 0.00 0.00 179.01 177.93 1pls h ARG 89 N 0.00 -0.31 0.00 1.92 2.43 0.56 -1.71 114.38 117.27 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 0.15 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1pls h ARG 89 CO 0.00 -0.21 0.00 0.22 -1.51 0.00 0.00 179.97 178.47 1pls h ASP 90 N -0.67 0.00 0.21 -3.80 3.58 -1.16 -1.14 116.42 113.43 1pls h ASP 90 Ca -0.03 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.11 1pls h ASP 90 Cb 0.25 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.33 1pls h ASP 90 CO 0.05 0.00 -1.33 0.00 -2.88 0.00 0.00 179.24 175.08 1pls h ALA 91 N 2.13 -0.12 0.00 -0.78 0.00 -1.36 -2.28 119.26 116.86 1pls h ALA 91 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 54.91 53.97 1pls h ALA 91 Cb 0.24 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1pls h ALA 91 CO 0.00 0.64 -0.62 -1.49 0.00 0.00 0.00 179.25 177.78 1pls h TRP 92 N 0.11 0.00 0.02 0.00 4.06 -0.78 -2.58 115.95 116.78 1pls h TRP 92 Ca -0.22 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.52 1pls h TRP 92 Cb 2.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.18 1pls h TRP 92 CO 0.14 0.62 -0.95 -0.39 -3.56 0.00 0.00 178.44 174.30 1pls h VAL 93 N 0.00 1.55 0.00 1.49 -1.51 -1.28 -1.88 116.25 114.62 1pls h VAL 93 Ca -0.01 -2.86 -0.08 0.00 -1.23 0.00 0.00 66.70 62.52 1pls h VAL 93 Cb 1.38 2.62 -0.01 0.00 -2.13 0.00 0.00 31.29 33.14 1pls h VAL 93 CO 0.08 0.83 -0.42 0.08 -1.23 0.00 0.00 177.57 176.91 1pls h ARG 94 N 0.07 0.00 0.06 5.19 0.11 -1.40 -2.13 114.38 116.28 1pls h ARG 94 Ca -0.05 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.84 1pls h ARG 94 Cb 1.62 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.69 1pls h ARG 94 CO 0.14 0.38 -0.98 0.22 0.10 0.00 0.00 179.97 179.82 1pls h ASP 95 N 0.00 0.20 0.45 0.08 1.82 -1.44 -0.28 116.42 117.26 1pls h ASP 95 Ca -0.01 -0.81 -0.11 0.00 -0.39 0.00 0.00 57.03 55.71 1pls h ASP 95 Cb 1.30 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1pls h ASP 95 CO 0.05 1.42 -0.50 0.40 -1.61 0.00 0.00 179.24 179.00 1pls h ILE 96 N -0.65 1.36 0.15 2.25 2.04 -1.46 -0.84 117.51 120.36 1pls h ILE 96 Ca -0.23 -1.72 -0.33 0.00 1.00 0.00 0.00 64.86 63.59 1pls h ILE 96 Cb 1.45 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1pls h ILE 96 CO -0.02 0.49 -1.63 -1.13 0.00 0.00 0.00 178.15 175.87 1pls h ASN 97 N 0.04 0.50 0.52 1.72 -1.24 -1.51 -2.46 115.58 113.16 1pls h ASN 97 Ca -0.00 -0.72 -0.10 0.00 0.71 0.00 0.00 56.30 56.19 1pls h ASN 97 Cb 0.90 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 1pls h ASN 97 CO 0.07 1.60 -0.47 0.50 -1.29 0.00 0.00 177.43 177.84 1pls h LYS 98 N 0.09 0.00 0.00 6.67 1.63 -0.98 -0.96 116.57 123.01 1pls h LYS 98 Ca -0.29 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.31 1pls h LYS 98 Cb 2.06 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.66 1pls h LYS 98 CO 0.17 0.47 -1.03 0.00 -3.45 0.00 0.00 179.45 175.62 1pls h ALA 99 N 1.53 0.50 0.00 5.00 0.00 -1.24 -1.77 119.26 123.28 1pls h ALA 99 Ca -0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 54.91 53.82 1pls h ALA 99 Cb 0.86 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1pls h ALA 99 CO 0.06 1.15 -0.90 0.82 0.00 0.00 0.00 179.25 180.39 1pls h ILE 100 N 0.00 1.64 0.00 0.00 2.04 -1.14 -0.49 117.51 119.57 1pls h ILE 100 Ca -0.06 -3.07 0.00 0.00 1.00 0.00 0.00 64.86 62.73 1pls h ILE 100 Cb 1.72 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 40.45 1pls h ILE 100 CO 0.10 0.88 -0.91 0.29 0.00 0.00 0.00 178.15 178.52 1pls n LYS 101 N -3.48 0.41 -0.03 2.37 4.76 -0.39 -3.78 118.16 118.02 1pls n LYS 101 Ca -0.00 0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.48 1pls n LYS 101 Cb 0.85 -1.70 -0.13 0.00 -1.84 0.00 0.00 35.03 32.20 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls h ILE 103 N 0.00 0.81 -0.24 0.00 6.09 -1.21 -2.91 117.51 120.05 1pls h ILE 103 Ca -0.29 -1.55 0.07 0.00 -1.37 0.00 0.00 64.86 61.72 1pls h ILE 103 Cb 1.75 1.98 -0.01 0.00 0.47 0.00 0.00 36.82 41.01 1pls h ILE 103 CO 0.03 0.36 0.50 -0.33 -3.07 0.00 0.00 178.15 175.65 1pls h GLU 104 N 0.00 0.00 0.00 2.19 4.39 -1.71 -3.38 114.58 116.07 1pls h GLU 104 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pls h GLU 104 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1pls h GLU 104 CO 0.05 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 1pls n GLY 105 N -1.39 1.23 3.65 -3.84 0.00 -1.11 -5.01 105.19 98.72 1pls n GLY 105 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 0.00 0.99 -0.00 -1.20 -4.95 117.00 109.06 1pls n LEU 106 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.26 1pls n LEU 106 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 43.42 41.51 1pls n LEU 106 CO 0.00 0.08 0.00 -0.62 -0.00 0.00 0.00 177.39 176.85 1pls n GLU 107 N -2.28 0.00 0.13 1.96 1.02 -1.26 -5.06 120.64 115.15 1pls n GLU 107 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1pls n GLU 107 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 -0.64 -3.62 -3.41 -0.32 -0.00 -1.26 -5.16 115.22 100.83 1pls n HIS 108 Ca 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 1pls n HIS 108 Cb 0.00 2.44 0.00 0.00 -0.00 0.00 0.00 29.99 32.43 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 109 N -3.14 -0.10 -1.16 1.57 -0.00 -1.26 -5.06 115.22 106.08 1pls n HIS 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pls n HIS 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 110 N -0.03 -2.60 -3.41 1.57 -0.00 -1.26 -4.89 115.22 104.59 1pls n HIS 110 Ca 0.00 1.46 -0.42 0.00 -0.00 0.00 0.00 57.72 58.76 1pls n HIS 110 Cb 0.00 -2.78 -0.10 0.00 -0.00 0.00 0.00 29.99 27.11 1pls n HIS 110 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1pls s HIS 111 N -0.92 3.21 -0.10 1.57 2.46 -1.26 -4.89 115.29 115.36 1pls s HIS 111 Ca 0.00 -0.31 -0.05 0.00 0.47 0.00 0.00 55.06 55.17 1pls s HIS 111 Cb 0.00 -2.69 -0.04 0.00 -0.13 0.00 0.00 32.58 29.72 1pls s HIS 111 CO 0.00 -0.55 -0.13 1.58 -2.47 0.00 0.00 174.74 173.17 1pls n HIS 112 N 5.35 0.00 0.00 3.88 -0.00 -1.26 -5.29 115.22 117.89 1pls n HIS 112 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1pls n HIS 112 Cb 0.48 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1pls n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06