#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 0.53 0.65 2.12 -1.05 -1.26 -5.15 118.70 114.54 1pls s GLU 2 Ca 0.00 -0.95 -0.08 0.00 -0.15 0.00 0.00 54.97 53.79 1pls s GLU 2 Cb 0.00 0.19 0.13 0.00 -0.44 0.00 0.00 34.13 34.01 1pls s GLU 2 CO 0.00 -0.11 0.29 -2.30 0.95 0.00 0.00 175.26 174.10 1pls n PRO 3 N 0.65 -1.11 -2.81 -4.83 -0.02 -1.26 -4.80 135.00 120.81 1pls n PRO 3 Ca -0.18 -0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 60.37 1pls n PRO 3 Cb 0.59 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 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 -1.47 3.69 -1.31 -0.52 5.02 -1.26 -4.91 118.16 117.40 1pls n LYS 4 Ca 0.05 -3.97 0.00 0.00 -2.02 0.00 0.00 58.31 52.37 1pls n LYS 4 Cb 0.20 -2.82 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 1pls n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pls n ARG 5 N 3.75 -3.67 0.00 1.97 3.00 -1.26 -4.74 116.66 115.70 1pls n ARG 5 Ca 0.34 2.77 0.00 0.00 -0.01 0.00 0.00 57.85 60.95 1pls n ARG 5 Cb 0.38 -3.22 0.00 0.00 0.00 0.00 0.00 32.46 29.63 1pls n ARG 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1pls n ILE 6 N -1.36 0.00 -4.72 0.55 2.08 -0.78 -4.66 119.36 110.48 1pls n ILE 6 Ca 0.00 1.29 -0.32 0.00 0.56 0.00 0.00 62.75 64.28 1pls n ILE 6 Cb 0.12 -2.07 -0.12 0.00 -0.75 0.00 0.00 39.64 36.81 1pls n ILE 6 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1pls s ARG 7 N -2.14 2.40 -0.14 0.38 1.81 -0.98 -4.98 118.95 115.30 1pls s ARG 7 Ca 0.00 -0.78 -0.09 0.00 -1.72 0.00 0.00 55.73 53.14 1pls s ARG 7 Cb 0.00 -2.36 0.05 0.00 -0.45 0.00 0.00 34.95 32.19 1pls s ARG 7 CO 0.00 0.60 0.35 -1.83 -0.68 0.00 0.00 175.30 173.74 1pls s GLU 8 N -1.10 0.34 0.00 3.54 1.03 -1.26 -0.38 118.70 120.88 1pls s GLU 8 Ca 0.14 0.65 0.00 0.00 0.03 0.00 0.00 54.97 55.79 1pls s GLU 8 Cb -0.11 -0.00 0.00 0.00 -0.80 0.00 0.00 34.13 33.22 1pls s GLU 8 CO 0.04 -0.14 0.00 0.41 -1.33 0.00 0.00 175.26 174.24 1pls n GLY 9 N 3.96 3.72 2.71 -3.83 0.00 -0.57 -5.00 105.19 106.18 1pls n GLY 9 Ca -0.22 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.27 -0.21 0.53 1.61 1.13 -1.26 -2.21 117.35 116.67 1pls s TYR 10 Ca 0.00 -0.15 0.02 0.00 -1.41 0.00 0.00 57.07 55.53 1pls s TYR 10 Cb 0.00 -0.52 0.01 0.00 -1.10 0.00 0.00 41.96 40.36 1pls s TYR 10 CO 0.00 -0.76 0.16 -0.51 -2.51 0.00 0.00 175.55 171.93 1pls s LEU 11 N 2.29 2.41 -0.17 -3.49 2.01 -0.39 -4.81 118.68 116.53 1pls s LEU 11 Ca 0.08 -1.52 -0.01 0.00 0.01 0.00 0.00 54.13 52.69 1pls s LEU 11 Cb -0.15 -0.89 -0.01 0.00 0.01 0.00 0.00 46.19 45.15 1pls s LEU 11 CO -0.24 -0.98 -0.11 0.54 1.01 0.00 0.00 176.35 176.57 1pls s VAL 12 N -2.85 3.04 -0.03 -1.59 0.11 -0.73 0.64 120.40 118.98 1pls s VAL 12 Ca 0.15 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1pls s VAL 12 Cb -0.00 -2.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.49 1pls s VAL 12 CO 0.09 0.49 0.00 -0.54 -3.33 0.00 0.00 175.10 171.82 1pls s LYS 13 N 0.84 2.87 -0.41 1.54 1.02 -0.95 -1.36 119.74 123.29 1pls s LYS 13 Ca -0.03 -0.53 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 1pls s LYS 13 Cb -0.15 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1pls s LYS 13 CO 0.00 0.65 0.82 0.21 -0.92 0.00 0.00 175.35 176.11 1pls s LYS 14 N -1.31 3.62 0.00 1.68 2.36 -0.99 -3.26 119.74 121.83 1pls s LYS 14 Ca 0.17 0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.77 1pls s LYS 14 Cb -0.11 -3.87 0.00 0.00 -1.05 0.00 0.00 37.83 32.80 1pls s LYS 14 CO 0.07 -1.00 0.00 0.41 1.55 0.00 0.00 175.35 176.39 1pls n GLY 15 N 4.73 0.00 0.07 5.54 0.00 -1.15 -4.09 105.19 110.28 1pls n GLY 15 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1pls n GLY 15 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pls h SER 16 N 0.00 -0.00 0.00 1.61 0.87 -1.82 -3.47 113.55 110.74 1pls h SER 16 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1pls h SER 16 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1pls h SER 16 CO 0.00 0.93 0.00 1.33 -0.53 0.00 0.00 176.83 178.56 1pls n VAL 17 N -4.64 0.00 0.00 2.23 0.24 -1.26 -5.08 118.33 109.82 1pls n VAL 17 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1pls n VAL 17 Cb 0.43 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1pls n VAL 17 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1pls n PHE 18 N -2.16 0.00 -3.22 6.34 7.35 -1.26 -5.03 117.46 119.48 1pls n PHE 18 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1pls n PHE 18 Cb 0.00 0.08 -0.07 0.00 0.35 0.00 0.00 39.48 39.83 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1pls n ASN 19 N -1.28 0.52 -4.30 -2.13 3.02 -1.26 -4.81 115.26 105.03 1pls n ASN 19 Ca 0.00 -2.76 -0.19 0.00 -0.03 0.00 0.00 54.58 51.60 1pls n ASN 19 Cb 0.00 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.42 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pls s THR 20 N -1.27 1.59 -0.40 3.41 -4.23 -1.26 -5.04 115.64 108.45 1pls s THR 20 Ca 0.35 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1pls s THR 20 Cb 0.16 -1.76 0.11 0.00 1.34 0.00 0.00 72.50 72.35 1pls s THR 20 CO -0.10 -0.42 0.14 0.26 -0.54 0.00 0.00 174.62 173.96 1pls s TRP 21 N -2.28 3.63 -0.11 3.99 0.52 -1.26 -2.96 118.94 120.47 1pls s TRP 21 Ca 0.14 -2.87 -0.01 0.00 0.02 0.00 0.00 56.10 53.38 1pls s TRP 21 Cb -0.04 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 1pls s TRP 21 CO 0.05 -0.92 -0.07 0.15 0.02 0.00 0.00 176.95 176.17 1pls s LYS 22 N 0.75 3.23 1.15 4.98 1.02 -1.20 -4.90 119.74 124.77 1pls s LYS 22 Ca 0.11 -0.57 -0.18 0.00 0.02 0.00 0.00 55.97 55.35 1pls s LYS 22 Cb -0.21 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 34.56 1pls s LYS 22 CO -0.06 0.40 0.27 -2.30 -0.92 0.00 0.00 175.35 172.75 1pls n PRO 23 N 3.01 -2.24 0.00 -1.68 -0.02 -1.26 -2.23 135.00 130.58 1pls n PRO 23 Ca -0.18 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 1pls n PRO 23 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -2.76 0.00 -3.28 -0.52 0.00 0.21 -4.67 117.12 106.10 1pls n MET 24 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.42 1pls n MET 24 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.73 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 3.42 -0.07 3.17 -0.11 0.11 -1.26 118.94 122.21 1pls s TRP 25 Ca 0.00 0.94 -0.16 0.00 1.22 0.00 0.00 56.10 58.11 1pls s TRP 25 Cb 0.00 -2.33 0.03 0.00 -1.50 0.00 0.00 33.47 29.68 1pls s TRP 25 CO 0.00 0.17 0.37 0.54 -4.62 0.00 0.00 176.95 173.41 1pls s VAL 26 N -1.95 0.03 -0.23 5.86 0.11 -0.94 0.13 120.40 123.41 1pls s VAL 26 Ca 0.49 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1pls s VAL 26 Cb -0.11 -0.62 0.11 0.00 -1.53 0.00 0.00 36.38 34.23 1pls s VAL 26 CO 0.22 -0.14 0.23 0.68 -3.33 0.00 0.00 175.10 172.77 1pls s VAL 27 N -0.72 -0.33 -0.30 2.04 -7.23 -0.93 -1.52 120.40 111.42 1pls s VAL 27 Ca -0.08 -0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 1pls s VAL 27 Cb -0.04 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.13 1pls s VAL 27 CO 0.03 -0.32 1.13 -1.48 -0.31 0.00 0.00 175.10 174.16 1pls s LEU 28 N 2.32 3.94 0.37 1.32 0.05 0.49 -2.23 118.68 124.94 1pls s LEU 28 Ca 0.08 1.13 0.07 0.00 0.05 0.00 0.00 54.13 55.46 1pls s LEU 28 Cb -0.15 -3.54 -0.02 0.00 -2.05 0.00 0.00 46.19 40.43 1pls s LEU 28 CO -0.20 -0.91 0.39 -0.76 -0.55 0.00 0.00 176.35 174.32 1pls s LEU 29 N 3.79 3.62 0.40 1.48 1.02 -0.47 -1.86 118.68 126.66 1pls s LEU 29 Ca 0.48 -0.50 0.28 0.00 0.02 0.00 0.00 54.13 54.41 1pls s LEU 29 Cb -0.14 -2.33 0.97 0.00 0.02 0.00 0.00 46.19 44.71 1pls s LEU 29 CO 0.17 -0.52 1.81 1.05 0.02 0.00 0.00 176.35 178.88 1pls h GLU 30 N 1.03 0.00 -0.61 1.70 4.11 -1.95 -2.58 114.58 116.27 1pls h GLU 30 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 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 0.55 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.23 1pls n ASP 31 N -2.74 3.74 0.00 3.06 5.68 -1.26 -4.53 116.55 120.50 1pls n ASP 31 Ca 0.02 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1pls n ASP 31 Cb 0.35 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 1.51 4.75 3.48 6.12 0.00 -0.97 -4.78 105.19 115.29 1pls n GLY 32 Ca 0.22 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.83 4.96 -0.19 -0.61 1.09 -0.98 -1.36 121.20 122.28 1pls s ILE 33 Ca 0.00 -0.25 -0.04 0.00 -1.10 0.00 0.00 60.65 59.27 1pls s ILE 33 Cb 0.00 -4.15 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 1pls s ILE 33 CO 0.00 -0.56 -0.05 -1.83 -0.10 0.00 0.00 174.94 172.40 1pls s GLU 34 N 2.44 3.47 0.02 2.79 -1.05 -0.95 -1.42 118.70 124.01 1pls s GLU 34 Ca 0.16 -0.60 0.08 0.00 -0.15 0.00 0.00 54.97 54.46 1pls s GLU 34 Cb -0.17 -2.96 -0.02 0.00 -0.44 0.00 0.00 34.13 30.54 1pls s GLU 34 CO 0.15 -0.03 -0.25 -0.59 0.95 0.00 0.00 175.26 175.49 1pls s PHE 35 N 1.07 2.18 0.00 4.83 -0.12 -0.97 -2.18 117.98 122.78 1pls s PHE 35 Ca 0.01 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1pls s PHE 35 Cb -0.15 -1.34 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 1pls s PHE 35 CO 0.00 0.06 0.00 0.66 -0.05 0.00 0.00 175.22 175.89 1pls n TYR 36 N 2.05 0.00 -0.10 3.49 4.02 0.12 -1.19 117.16 125.55 1pls n TYR 36 Ca -0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.55 1pls n TYR 36 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.71 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 0.67 -3.68 -0.72 0.00 -1.26 0.09 118.16 113.26 1pls n LYS 37 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 58.31 58.27 1pls n LYS 37 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 35.03 33.43 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pls n LYS 38 N -3.27 1.22 -0.19 1.64 5.02 -1.26 -0.90 118.16 120.43 1pls n LYS 38 Ca -0.42 -2.33 0.28 0.00 -2.02 0.00 0.00 58.31 53.83 1pls n LYS 38 Cb 1.01 0.62 0.54 0.00 -0.02 0.00 0.00 35.03 37.18 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 -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1pls h LYS 39 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1pls h LYS 39 CO 0.44 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 178.05 1pls n SER 40 N -3.42 -0.53 0.00 4.20 7.64 -1.26 -4.95 113.62 115.30 1pls n SER 40 Ca 0.21 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1pls n SER 40 Cb 1.36 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 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 -2.83 -4.26 -1.56 6.43 -0.08 -1.25 -3.21 116.55 109.79 1pls n ASP 41 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1pls n ASP 41 Cb 0.00 -2.84 -0.00 0.00 2.34 0.00 0.00 41.12 40.62 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1pls n ASN 42 N -0.65 -0.53 -3.15 1.67 5.03 -1.26 -4.75 115.26 111.62 1pls n ASN 42 Ca 0.00 0.19 0.04 0.00 0.87 0.00 0.00 54.58 55.68 1pls n ASN 42 Cb 0.33 -0.81 -0.00 0.00 -1.02 0.00 0.00 39.78 38.27 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 -1.40 -1.22 1.02 6.41 0.15 -1.20 -5.15 113.70 112.31 1pls s SER 43 Ca 0.00 0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.72 1pls s SER 43 Cb 0.00 1.81 0.06 0.00 -1.71 0.00 0.00 66.02 66.18 1pls s SER 43 CO 0.00 -0.22 0.18 -2.65 1.20 0.00 0.00 173.24 171.75 1pls n PRO 44 N 5.34 -0.82 0.00 5.44 -0.02 -1.26 -4.52 135.00 139.16 1pls n PRO 44 Ca 0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1pls n PRO 44 Cb 0.55 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1pls n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pls n LYS 45 N -1.68 0.10 0.00 -0.52 3.00 -0.33 -4.92 118.16 113.81 1pls n LYS 45 Ca 0.04 -0.36 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 1pls n LYS 45 Cb 0.57 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.97 1pls n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pls n GLY 46 N -0.05 3.77 2.96 3.14 0.00 -1.23 -5.01 105.19 108.78 1pls n GLY 46 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.22 0.55 -0.21 1.61 -1.94 -1.26 -2.30 119.30 114.53 1pls s MET 47 Ca 0.00 -0.20 -0.07 0.00 -1.71 0.00 0.00 55.69 53.71 1pls s MET 47 Cb 0.00 -0.54 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 1pls s MET 47 CO 0.00 0.10 0.07 0.42 -0.01 0.00 0.00 175.02 175.59 1pls s ILE 48 N 0.04 4.59 0.10 2.53 1.01 -0.50 -4.94 121.20 124.03 1pls s ILE 48 Ca -0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.25 1pls s ILE 48 Cb -0.05 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 1pls s ILE 48 CO -0.00 0.41 1.30 -2.16 0.00 0.00 0.00 174.94 174.48 1pls s PRO 49 N 0.90 4.38 0.00 2.79 0.04 -1.26 -2.32 135.00 139.52 1pls s PRO 49 Ca 0.04 1.94 0.24 0.00 0.04 0.00 0.00 61.00 63.25 1pls s PRO 49 Cb -0.14 -3.28 1.40 0.00 0.04 0.00 0.00 34.50 32.52 1pls s PRO 49 CO 0.03 -0.33 1.78 1.28 0.04 0.00 0.00 177.00 179.80 1pls n LEU 50 N 3.78 0.00 -0.18 -3.56 4.32 -1.26 -3.96 117.00 116.14 1pls n LEU 50 Ca 0.10 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 1pls n LEU 50 Cb 0.44 -0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 42.15 1pls n LEU 50 CO 0.57 -0.00 0.49 0.11 -1.22 0.00 0.00 177.39 177.34 1pls h LYS 51 N 0.00 -0.20 0.00 3.23 1.79 -1.90 -3.39 116.57 116.10 1pls h LYS 51 Ca 0.00 0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.27 1pls h LYS 51 Cb 0.01 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 30.57 1pls h LYS 51 CO 0.00 -0.14 -0.34 0.41 -1.08 0.00 0.00 179.45 178.30 1pls n GLY 52 N -1.26 0.44 3.91 3.86 0.00 -1.26 -4.95 105.19 105.93 1pls n GLY 52 Ca -0.01 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1pls n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pls s SER 53 N -1.10 4.54 0.25 1.61 0.01 -1.25 -0.69 113.70 117.06 1pls s SER 53 Ca 0.21 0.69 0.10 0.00 1.31 0.00 0.00 55.95 58.27 1pls s SER 53 Cb 0.30 -1.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.28 1pls s SER 53 CO -0.07 -1.86 -0.16 0.28 0.41 0.00 0.00 173.24 171.83 1pls s THR 54 N -3.51 2.13 -0.34 1.44 -1.32 0.11 -4.79 115.64 109.36 1pls s THR 54 Ca 0.62 -2.31 -0.01 0.00 -1.21 0.00 0.00 61.69 58.78 1pls s THR 54 Cb -0.11 -2.23 0.11 0.00 -1.51 0.00 0.00 72.50 68.77 1pls s THR 54 CO 0.48 -0.46 0.15 -0.22 -2.21 0.00 0.00 174.62 172.36 1pls s LEU 55 N -3.44 1.73 -0.46 9.08 1.98 -1.26 -1.50 118.68 124.82 1pls s LEU 55 Ca 0.27 -1.86 -0.22 0.00 -2.89 0.00 0.00 54.13 49.43 1pls s LEU 55 Cb -0.02 -0.70 0.03 0.00 0.66 0.00 0.00 46.19 46.15 1pls s LEU 55 CO 0.12 -0.37 0.72 -0.89 -1.89 0.00 0.00 176.35 174.04 1pls s THR 56 N 1.37 4.72 -0.07 3.68 2.01 -0.71 -4.97 115.64 121.68 1pls s THR 56 Ca 0.13 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.25 1pls s THR 56 Cb -0.19 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.05 1pls s THR 56 CO -0.18 -0.70 0.22 -0.94 -0.69 0.00 0.00 174.62 172.33 1pls s SER 57 N 2.17 -0.20 1.00 3.53 1.04 -1.26 -2.29 113.70 117.69 1pls s SER 57 Ca 0.26 0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.92 1pls s SER 57 Cb -0.14 0.42 0.14 0.00 0.10 0.00 0.00 66.02 66.54 1pls s SER 57 CO 0.20 -0.15 0.83 -0.81 0.98 0.00 0.00 173.24 174.29 1pls n PRO 58 N 2.60 -0.80 -2.95 4.02 -0.04 -1.26 -5.13 135.00 131.43 1pls n PRO 58 Ca -0.15 -1.29 -0.13 0.00 -0.04 0.00 0.00 63.50 61.89 1pls n PRO 58 Cb 0.58 -0.85 0.03 0.00 -0.04 0.00 0.00 33.50 33.22 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls s GLN 60 N -1.02 4.27 0.00 0.00 0.74 -1.26 -4.26 119.66 118.13 1pls s GLN 60 Ca 0.31 1.94 0.00 0.00 0.05 0.00 0.00 55.36 57.65 1pls s GLN 60 Cb 0.32 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1pls s GLN 60 CO -0.07 -0.60 0.00 -0.25 -0.55 0.00 0.00 175.29 173.82 1pls n ASP 61 N 5.62 0.00 -0.01 6.67 9.92 -1.26 -4.87 116.55 132.63 1pls n ASP 61 Ca 0.13 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1pls n ASP 61 Cb 0.44 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1pls h PHE 62 N 0.00 0.00 0.00 1.24 3.04 -1.97 -3.40 116.94 115.86 1pls h PHE 62 Ca 0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 1pls h PHE 62 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1pls h PHE 62 CO 0.00 0.00 -0.81 0.78 -2.02 0.00 0.00 178.31 176.26 1pls h GLY 63 N -0.10 0.00 -5.86 2.40 0.00 -1.94 -3.46 103.07 94.10 1pls h GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 1pls h GLY 63 CO 0.00 0.00 -0.60 0.58 0.00 0.00 0.00 176.54 176.52 1pls n LYS 64 N -3.23 -0.92 0.00 4.80 0.00 -1.26 -4.81 118.16 112.74 1pls n LYS 64 Ca -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1pls n LYS 64 Cb 0.83 -3.39 0.00 0.00 -0.00 0.00 0.00 35.03 32.47 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1pls n ARG 65 N -2.97 2.25 0.00 -1.58 0.63 -1.26 -4.91 116.66 108.82 1pls n ARG 65 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1pls n ARG 65 Cb 0.33 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.24 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pls n MET 66 N 0.00 0.00 -3.57 -0.14 2.81 -1.26 -4.70 117.12 110.26 1pls n MET 66 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 1pls n MET 66 Cb 0.00 -0.36 -0.15 0.00 -0.71 0.00 0.00 33.22 31.99 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 -0.02 -0.18 2.03 0.08 -1.26 -4.93 117.98 113.70 1pls s PHE 67 Ca 0.00 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1pls s PHE 67 Cb 0.00 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.95 1pls s PHE 67 CO 0.00 -0.51 -0.19 0.54 -0.10 0.00 0.00 175.22 174.95 1pls s VAL 68 N 2.22 1.99 0.39 -0.44 0.11 -1.26 -2.25 120.40 121.17 1pls s VAL 68 Ca 0.04 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.27 1pls s VAL 68 Cb -0.15 -1.81 -0.07 0.00 -1.53 0.00 0.00 36.38 32.82 1pls s VAL 68 CO -0.10 0.53 0.03 0.72 -3.33 0.00 0.00 175.10 172.95 1pls s PHE 69 N 1.32 2.52 -0.12 1.54 -0.12 -0.76 -2.23 117.98 120.13 1pls s PHE 69 Ca 0.05 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.34 1pls s PHE 69 Cb -0.13 -1.70 0.02 0.00 -0.63 0.00 0.00 43.02 40.58 1pls s PHE 69 CO -0.13 0.42 -0.10 -1.59 -0.05 0.00 0.00 175.22 173.77 1pls s LYS 70 N -3.73 1.78 0.34 1.99 -2.85 -0.97 -2.24 119.74 114.06 1pls s LYS 70 Ca 0.36 -0.37 0.02 0.00 -1.00 0.00 0.00 55.97 54.98 1pls s LYS 70 Cb 0.06 -1.72 -0.02 0.00 -2.06 0.00 0.00 37.83 34.09 1pls s LYS 70 CO 0.19 -0.21 0.52 0.42 0.10 0.00 0.00 175.35 176.37 1pls s ILE 71 N 1.50 4.76 -0.29 3.79 1.01 -0.96 -1.74 121.20 129.25 1pls s ILE 71 Ca 0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1pls s ILE 71 Cb -0.13 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.73 1pls s ILE 71 CO -0.07 -0.41 0.14 -0.89 0.00 0.00 0.00 174.94 173.71 1pls s THR 72 N -2.28 -0.07 0.79 2.92 2.01 -0.56 -1.42 115.64 117.03 1pls s THR 72 Ca 0.41 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 1pls s THR 72 Cb -0.10 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 1pls s THR 72 CO 0.34 -0.73 0.60 1.07 -0.69 0.00 0.00 174.62 175.21 1pls n THR 73 N 5.20 1.41 -0.42 -0.82 5.66 -1.26 0.08 114.28 124.13 1pls n THR 73 Ca -0.05 -0.32 0.39 0.00 -3.05 0.00 0.00 64.05 61.02 1pls n THR 73 Cb 0.42 -0.79 0.64 0.00 -1.55 0.00 0.00 70.33 69.05 1pls n THR 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pls h THR 74 N -0.74 0.05 0.00 1.09 1.03 -1.17 -3.08 112.91 110.09 1pls h THR 74 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1pls h THR 74 Cb 1.32 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1pls h THR 74 CO 0.41 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.21 1pls n LYS 75 N -3.62 0.00 0.00 0.00 4.76 -1.26 -4.99 118.16 113.05 1pls n LYS 75 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1pls n LYS 75 Cb 1.68 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 34.83 1pls n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls n GLN 76 N 0.00 0.00 -3.14 1.97 10.64 -1.16 -5.06 117.38 120.63 1pls n GLN 76 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 1pls n GLN 76 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1pls n GLN 76 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1pls n GLN 77 N 0.00 4.01 -1.44 2.61 6.02 -1.26 -4.96 117.38 122.35 1pls n GLN 77 Ca 0.00 -4.56 -0.45 0.00 -0.01 0.00 0.00 57.00 51.98 1pls n GLN 77 Cb 0.00 -2.48 -0.02 0.00 1.02 0.00 0.00 30.24 28.76 1pls n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1pls n ASP 78 N 1.49 -0.75 -4.13 1.08 5.75 -1.26 -4.41 116.55 114.33 1pls n ASP 78 Ca 0.26 1.07 -0.25 0.00 -0.01 0.00 0.00 54.79 55.86 1pls n ASP 78 Cb 0.35 -1.05 -0.16 0.00 -1.03 0.00 0.00 41.12 39.23 1pls n ASP 78 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1pls s HIS 79 N -1.17 1.53 -0.15 2.11 3.76 -0.50 -4.94 115.29 115.93 1pls s HIS 79 Ca 0.62 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 55.00 1pls s HIS 79 Cb -0.79 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 1pls s HIS 79 CO 0.58 -0.09 0.41 -0.06 -0.85 0.00 0.00 174.74 174.74 1pls s PHE 80 N -0.16 3.47 -0.01 1.40 0.08 -1.26 -2.28 117.98 119.22 1pls s PHE 80 Ca 0.01 0.76 0.04 0.00 0.12 0.00 0.00 56.93 57.86 1pls s PHE 80 Cb -0.09 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1pls s PHE 80 CO 0.01 0.14 -0.13 0.12 -0.10 0.00 0.00 175.22 175.26 1pls s PHE 81 N 0.75 1.19 -0.05 0.36 2.19 -0.95 -2.36 117.98 119.11 1pls s PHE 81 Ca 0.22 -0.24 -0.02 0.00 0.33 0.00 0.00 56.93 57.22 1pls s PHE 81 Cb -0.14 -0.77 0.03 0.00 -1.31 0.00 0.00 43.02 40.82 1pls s PHE 81 CO 0.08 -0.03 0.07 -1.14 1.83 0.00 0.00 175.22 176.02 1pls s GLN 82 N -0.25 -0.07 0.00 10.12 0.74 -0.47 -1.83 119.66 127.90 1pls s GLN 82 Ca 0.04 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1pls s GLN 82 Cb -0.06 -0.51 0.00 0.00 1.10 0.00 0.00 33.01 33.54 1pls s GLN 82 CO -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 175.29 174.40 1pls n ALA 83 N 5.30 0.00 0.00 1.58 0.00 -0.95 -1.78 120.51 124.66 1pls n ALA 83 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1pls n ALA 83 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.98 -3.53 0.00 0.00 -1.26 -4.64 120.51 110.06 1pls n ALA 84 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1pls n ALA 84 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.98 0.29 0.07 0.00 -0.71 -1.26 -4.83 117.98 109.57 1pls s PHE 85 Ca 0.00 -0.78 -0.35 0.00 -1.04 0.00 0.00 56.93 54.76 1pls s PHE 85 Cb 0.00 0.52 -0.18 0.00 -1.21 0.00 0.00 43.02 42.15 1pls s PHE 85 CO 0.00 -1.32 1.54 1.25 -1.34 0.00 0.00 175.22 175.34 1pls h LEU 86 N 2.06 -1.28 -0.47 -1.99 7.12 -1.99 -0.40 115.31 118.37 1pls h LEU 86 Ca -0.28 0.09 0.08 0.00 0.13 0.00 0.00 57.88 57.90 1pls h LEU 86 Cb 1.25 0.40 -0.10 0.00 -0.53 0.00 0.00 40.66 41.68 1pls h LEU 86 CO 0.36 -0.68 -0.43 -0.08 -0.13 0.00 0.00 178.44 177.48 1pls h GLU 87 N -1.06 -0.28 -0.20 1.25 4.22 -1.99 0.50 114.58 117.02 1pls h GLU 87 Ca -0.08 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.42 1pls h GLU 87 Cb 0.89 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1pls h GLU 87 CO 0.01 -0.19 0.14 1.49 -2.18 0.00 0.00 179.01 178.29 1pls h GLU 88 N -0.29 0.06 0.05 1.92 4.81 -1.94 -0.70 114.58 118.49 1pls h GLU 88 Ca 0.15 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1pls h GLU 88 Cb 0.57 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1pls h GLU 88 CO -0.61 0.04 -0.02 -0.09 -0.73 0.00 0.00 179.01 177.59 1pls h ARG 89 N 0.07 -0.06 -0.17 1.92 2.43 0.17 -1.21 114.38 117.52 1pls h ARG 89 Ca 0.09 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1pls h ARG 89 Cb 0.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1pls h ARG 89 CO -0.01 -0.04 0.30 0.22 -1.51 0.00 0.00 179.97 178.93 1pls h ASP 90 N -0.09 0.00 0.35 -3.80 1.82 -1.11 0.12 116.42 113.70 1pls h ASP 90 Ca -0.01 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1pls h ASP 90 Cb 0.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1pls h ASP 90 CO 0.01 0.00 -0.95 0.00 -1.61 0.00 0.00 179.24 176.69 1pls h ALA 91 N 1.56 0.35 0.03 -0.78 0.00 -1.05 -0.13 119.26 119.23 1pls h ALA 91 Ca 0.08 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 54.03 1pls h ALA 91 Cb 0.69 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1pls h ALA 91 CO -0.00 0.82 -0.96 -1.49 0.00 0.00 0.00 179.25 177.62 1pls h TRP 92 N 0.22 0.92 0.00 0.00 4.06 0.47 -2.60 115.95 119.03 1pls h TRP 92 Ca -0.08 -0.52 -0.13 0.00 2.06 0.00 0.00 58.89 60.22 1pls h TRP 92 Cb 1.59 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.64 1pls h TRP 92 CO 0.06 1.35 -0.62 -0.39 -3.56 0.00 0.00 178.44 175.28 1pls h VAL 93 N 0.23 1.26 0.00 1.49 -1.51 -1.31 -0.96 116.25 115.44 1pls h VAL 93 Ca -0.13 -2.28 -0.18 0.00 -1.23 0.00 0.00 66.70 62.88 1pls h VAL 93 Cb 1.64 2.30 -0.03 0.00 -2.13 0.00 0.00 31.29 33.07 1pls h VAL 93 CO 0.19 0.61 -0.84 0.08 -1.23 0.00 0.00 177.57 176.38 1pls h ARG 94 N 0.00 0.00 0.01 5.19 0.11 -1.05 -2.61 114.38 116.04 1pls h ARG 94 Ca -0.01 -0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.77 1pls h ARG 94 Cb 1.25 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.28 1pls h ARG 94 CO 0.08 0.84 -1.74 -0.25 0.10 0.00 0.00 179.97 179.00 1pls n ASP 95 N -3.54 0.93 0.11 0.08 9.92 -0.98 -2.30 116.55 120.77 1pls n ASP 95 Ca -0.00 0.39 -0.03 0.00 -0.53 0.00 0.00 54.79 54.62 1pls n ASP 95 Cb 0.81 -0.09 0.14 0.00 -0.64 0.00 0.00 41.12 41.33 1pls n ASP 95 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1pls h ILE 96 N 0.00 1.43 0.12 0.53 2.10 -1.24 -1.79 117.51 118.67 1pls h ILE 96 Ca -0.30 -2.11 -0.32 0.00 1.08 0.00 0.00 64.86 63.22 1pls h ILE 96 Cb 2.02 2.11 -0.01 0.00 -1.09 0.00 0.00 36.82 39.86 1pls h ILE 96 CO 0.08 0.61 -1.63 -1.13 -1.08 0.00 0.00 178.15 175.00 1pls h ASN 97 N 0.07 0.41 -0.16 2.19 -0.00 -1.59 -2.65 115.58 113.85 1pls h ASN 97 Ca -0.01 -0.61 -0.03 0.00 -0.00 0.00 0.00 56.30 55.65 1pls h ASN 97 Cb 1.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 39.31 1pls h ASN 97 CO 0.09 1.52 -0.02 0.11 -0.00 0.00 0.00 177.43 179.13 1pls h LYS 98 N 0.07 0.30 -0.41 6.67 6.56 -1.45 0.10 116.57 128.41 1pls h LYS 98 Ca -0.28 -0.11 -0.10 0.00 -1.06 0.00 0.00 60.65 59.10 1pls h LYS 98 Cb 2.03 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 33.65 1pls h LYS 98 CO 0.15 0.55 -0.15 0.00 -2.06 0.00 0.00 179.45 177.95 1pls h ALA 99 N 0.74 0.97 0.00 3.86 0.00 -1.46 -0.24 119.26 123.12 1pls h ALA 99 Ca 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1pls h ALA 99 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pls h ALA 99 CO 0.01 0.61 -0.23 0.82 0.00 0.00 0.00 179.25 180.46 1pls h ILE 100 N 0.68 0.56 0.00 0.00 2.04 -1.32 -0.93 117.51 118.55 1pls h ILE 100 Ca 0.11 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1pls h ILE 100 Cb 0.63 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1pls h ILE 100 CO 0.04 0.23 -0.75 0.50 0.00 0.00 0.00 178.15 178.17 1pls h LYS 101 N 0.00 0.00 0.00 2.37 1.63 -0.21 -3.29 116.57 117.07 1pls h LYS 101 Ca -0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.58 1pls h LYS 101 Cb 0.78 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.37 1pls h LYS 101 CO 0.03 0.00 -1.88 0.00 -3.45 0.00 0.00 179.45 174.15 1pls h ILE 103 N 0.00 0.17 0.00 0.00 6.09 -1.29 -2.88 117.51 119.59 1pls h ILE 103 Ca -0.27 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.18 1pls h ILE 103 Cb 1.73 1.90 0.00 0.00 0.47 0.00 0.00 36.82 40.92 1pls h ILE 103 CO 0.03 0.08 0.00 -0.62 -3.07 0.00 0.00 178.15 174.58 1pls n GLU 104 N -3.14 0.06 -0.00 2.19 -0.58 -1.24 -1.60 120.64 116.32 1pls n GLU 104 Ca 0.02 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1pls n GLU 104 Cb 0.49 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.43 0.86 2.73 0.62 0.00 -1.10 -4.75 105.19 103.13 1pls n GLY 105 Ca 0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 6.62 -4.66 0.99 -0.00 -0.63 -5.03 117.00 114.05 1pls n LEU 106 Ca 0.00 -5.41 -0.30 0.00 -0.00 0.00 0.00 56.01 50.31 1pls n LEU 106 Cb 0.14 -0.99 0.17 0.00 -0.00 0.00 0.00 43.42 42.73 1pls n LEU 106 CO 0.00 2.10 0.64 -1.61 -0.00 0.00 0.00 177.39 178.53 1pls s GLU 107 N -4.09 0.82 -0.35 1.96 2.02 -1.26 -4.99 118.70 112.81 1pls s GLU 107 Ca 0.43 1.18 -0.01 0.00 0.02 0.00 0.00 54.97 56.59 1pls s GLU 107 Cb 0.24 -1.73 0.12 0.00 0.10 0.00 0.00 34.13 32.86 1pls s GLU 107 CO -0.16 -2.65 0.18 -1.58 0.02 0.00 0.00 175.26 171.07 1pls s HIS 108 N -2.71 1.09 0.10 1.61 2.46 -1.26 -5.10 115.29 111.48 1pls s HIS 108 Ca 0.66 -1.65 -0.36 0.00 0.47 0.00 0.00 55.06 54.18 1pls s HIS 108 Cb -0.21 -1.27 -0.17 0.00 -0.13 0.00 0.00 32.58 30.79 1pls s HIS 108 CO 0.59 -0.83 1.19 0.72 -2.47 0.00 0.00 174.74 173.94 1pls n HIS 109 N 4.36 1.17 -2.59 3.88 8.25 -1.26 -4.88 115.22 124.15 1pls n HIS 109 Ca 0.05 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 58.06 1pls n HIS 109 Cb 0.39 -2.25 0.01 0.00 1.12 0.00 0.00 29.99 29.25 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 110 N 1.87 2.51 -4.28 4.41 -0.00 -1.26 -4.93 115.22 113.53 1pls n HIS 110 Ca 0.18 -3.06 -0.36 0.00 0.46 0.00 0.00 57.72 54.93 1pls n HIS 110 Cb 0.19 -0.22 -0.05 0.00 -0.12 0.00 0.00 29.99 29.79 1pls n HIS 110 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 111 N -0.29 -1.50 -1.35 1.57 8.25 -1.26 -4.77 115.22 115.87 1pls n HIS 111 Ca 0.27 0.74 -0.23 0.00 -0.26 0.00 0.00 57.72 58.23 1pls n HIS 111 Cb 0.71 -2.76 -0.09 0.00 1.12 0.00 0.00 29.99 28.97 1pls n HIS 111 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1pls n HIS 112 N -4.33 1.16 -0.54 4.41 -0.00 -1.26 -5.34 115.22 109.31 1pls n HIS 112 Ca -0.03 -1.89 0.00 0.00 -0.00 0.00 0.00 57.72 55.80 1pls n HIS 112 Cb 0.54 -1.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.01 1pls n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06