#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 0.86 0.48 0.03 2.02 -1.26 -5.15 118.70 115.69 1pls s GLU 2 Ca 0.00 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 53.59 1pls s GLU 2 Cb 0.00 0.29 -0.08 0.00 0.10 0.00 0.00 34.13 34.43 1pls s GLU 2 CO 0.00 -0.25 1.04 -1.25 0.02 0.00 0.00 175.26 174.82 1pls s PRO 3 N -3.95 3.81 -0.56 0.39 0.04 -1.26 -5.02 135.00 128.46 1pls s PRO 3 Ca 0.13 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1pls s PRO 3 Cb 0.06 -2.12 0.18 0.00 0.04 0.00 0.00 34.50 32.66 1pls s PRO 3 CO -0.05 -0.42 0.45 1.63 0.04 0.00 0.00 177.00 178.64 1pls n LYS 4 N -0.91 1.13 -1.29 4.56 5.02 -1.26 -5.08 118.16 120.33 1pls n LYS 4 Ca 0.09 -3.88 0.15 0.00 -2.02 0.00 0.00 58.31 52.65 1pls n LYS 4 Cb 0.52 -1.96 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 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 2.21 -2.60 0.04 1.97 3.00 -1.26 -4.62 116.66 115.40 1pls n ARG 5 Ca 0.25 1.95 -0.22 0.00 -0.01 0.00 0.00 57.85 59.82 1pls n ARG 5 Cb 0.42 -3.19 -0.14 0.00 0.00 0.00 0.00 32.46 29.55 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1pls h ILE 6 N -1.34 1.06 -1.90 0.55 1.08 -1.51 -3.45 117.51 111.99 1pls h ILE 6 Ca -0.08 -2.47 -0.21 0.00 -0.39 0.00 0.00 64.86 61.72 1pls h ILE 6 Cb 1.30 2.80 -0.30 0.00 -3.07 0.00 0.00 36.82 37.55 1pls h ILE 6 CO 0.04 0.76 -0.54 -0.13 -0.69 0.00 0.00 178.15 177.60 1pls s ARG 7 N -2.51 0.36 -0.08 2.37 1.81 -0.89 -5.00 118.95 115.01 1pls s ARG 7 Ca -0.17 0.24 0.02 0.00 -1.72 0.00 0.00 55.73 54.10 1pls s ARG 7 Cb 0.04 -0.48 -0.02 0.00 -0.45 0.00 0.00 34.95 34.04 1pls s ARG 7 CO 0.81 -0.87 -0.14 -1.83 -0.68 0.00 0.00 175.30 172.60 1pls s GLU 8 N 2.50 2.80 0.00 3.54 1.03 -1.26 -1.57 118.70 125.73 1pls s GLU 8 Ca 0.11 -0.69 0.00 0.00 0.03 0.00 0.00 54.97 54.42 1pls s GLU 8 Cb -0.14 -2.47 0.00 0.00 -0.80 0.00 0.00 34.13 30.72 1pls s GLU 8 CO -0.24 0.49 0.00 0.41 -1.33 0.00 0.00 175.26 174.59 1pls n GLY 9 N 2.70 3.07 2.57 -3.83 0.00 -0.70 -4.99 105.19 104.01 1pls n GLY 9 Ca -0.17 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.61 0.27 0.21 1.61 1.13 -1.26 -1.83 117.35 116.87 1pls s TYR 10 Ca 0.00 -1.01 0.10 0.00 -1.41 0.00 0.00 57.07 54.75 1pls s TYR 10 Cb 0.00 -0.79 -0.04 0.00 -1.10 0.00 0.00 41.96 40.03 1pls s TYR 10 CO 0.00 -0.86 -0.11 -0.51 -2.51 0.00 0.00 175.55 171.56 1pls s LEU 11 N 1.74 2.88 -0.03 -3.49 2.01 0.14 -4.61 118.68 117.32 1pls s LEU 11 Ca 0.13 -0.70 -0.26 0.00 0.01 0.00 0.00 54.13 53.31 1pls s LEU 11 Cb -0.18 -1.52 -0.04 0.00 0.01 0.00 0.00 46.19 44.47 1pls s LEU 11 CO -0.21 0.08 0.81 0.54 1.01 0.00 0.00 176.35 178.58 1pls s VAL 12 N -1.94 4.95 0.21 -1.59 0.11 -0.99 -0.60 120.40 120.55 1pls s VAL 12 Ca 0.26 1.68 0.04 0.00 -2.93 0.00 0.00 61.98 61.03 1pls s VAL 12 Cb -0.08 -4.15 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1pls s VAL 12 CO 0.15 0.23 -0.02 -0.75 -3.33 0.00 0.00 175.10 171.38 1pls s LYS 13 N 0.78 1.28 -0.07 1.54 2.20 -0.99 -0.69 119.74 123.79 1pls s LYS 13 Ca 0.43 -1.63 0.02 0.00 -0.36 0.00 0.00 55.97 54.43 1pls s LYS 13 Cb -0.19 -0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 35.49 1pls s LYS 13 CO 0.22 -0.06 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.43 1pls s LYS 14 N -3.84 2.72 0.00 4.03 0.00 -0.80 -3.37 119.74 118.47 1pls s LYS 14 Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 55.56 1pls s LYS 14 Cb 0.05 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.42 1pls s LYS 14 CO 0.07 0.55 0.00 0.41 0.00 0.00 0.00 175.35 176.38 1pls n GLY 15 N 2.53 2.05 0.00 0.59 0.00 -1.26 -4.53 105.19 104.58 1pls n GLY 15 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.02 1.61 7.64 -1.26 -4.92 113.62 116.67 1pls n SER 16 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1pls n SER 16 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1pls n SER 16 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1pls n VAL 17 N 0.00 0.32 -4.05 0.44 0.24 -1.26 -5.05 118.33 108.98 1pls n VAL 17 Ca 0.00 -0.57 0.05 0.00 -2.04 0.00 0.00 64.34 61.78 1pls n VAL 17 Cb 0.00 -0.13 0.01 0.00 -1.47 0.00 0.00 33.84 32.25 1pls n VAL 17 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1pls s PHE 18 N -3.31 0.00 -0.85 6.34 -0.12 -1.26 -5.05 117.98 113.73 1pls s PHE 18 Ca -0.08 -0.00 -0.20 0.00 -0.05 0.00 0.00 56.93 56.60 1pls s PHE 18 Cb 0.12 0.50 -0.20 0.00 -0.63 0.00 0.00 43.02 42.81 1pls s PHE 18 CO 0.88 -0.01 2.27 0.27 -0.05 0.00 0.00 175.22 178.59 1pls n ASN 19 N -1.00 0.67 -4.56 1.98 0.23 -1.26 -4.31 115.26 107.00 1pls n ASN 19 Ca 0.07 -1.28 -0.28 0.00 -0.53 0.00 0.00 54.58 52.56 1pls n ASN 19 Cb 0.58 -1.30 -0.10 0.00 -2.08 0.00 0.00 39.78 36.89 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1pls s THR 20 N 10.13 3.23 -0.19 5.53 -4.23 -1.26 -5.00 115.64 123.85 1pls s THR 20 Ca 1.01 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1pls s THR 20 Cb -0.34 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1pls s THR 20 CO 0.23 0.01 -0.05 0.26 -0.54 0.00 0.00 174.62 174.54 1pls s TRP 21 N -1.41 1.83 -0.14 3.99 0.52 -1.26 -3.36 118.94 119.10 1pls s TRP 21 Ca 0.22 -1.24 -0.12 0.00 0.02 0.00 0.00 56.10 54.98 1pls s TRP 21 Cb -0.10 -1.37 0.04 0.00 -1.15 0.00 0.00 33.47 30.89 1pls s TRP 21 CO 0.14 -0.66 0.38 0.15 0.02 0.00 0.00 176.95 176.98 1pls s LYS 22 N 1.59 0.42 0.52 4.98 1.02 -1.22 -4.95 119.74 122.10 1pls s LYS 22 Ca -0.01 0.56 -0.20 0.00 0.02 0.00 0.00 55.97 56.34 1pls s LYS 22 Cb -0.16 0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.23 1pls s LYS 22 CO -0.07 -0.07 0.80 -2.30 -0.92 0.00 0.00 175.35 172.79 1pls n PRO 23 N 3.15 0.88 -3.78 -1.68 -0.02 -1.26 -2.36 135.00 129.93 1pls n PRO 23 Ca -0.15 0.33 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 1pls n PRO 23 Cb 0.57 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.21 1.63 0.13 -0.52 0.23 0.23 -4.79 119.30 113.99 1pls s MET 24 Ca 0.69 -0.91 -0.16 0.00 -1.03 0.00 0.00 55.69 54.28 1pls s MET 24 Cb -0.49 0.58 -0.07 0.00 -1.53 0.00 0.00 34.83 33.33 1pls s MET 24 CO 0.53 -0.73 0.56 -0.46 -2.03 0.00 0.00 175.02 172.89 1pls s TRP 25 N -3.89 3.67 -0.17 3.16 -0.11 0.15 -0.69 118.94 121.07 1pls s TRP 25 Ca 0.10 1.14 -0.08 0.00 1.22 0.00 0.00 56.10 58.48 1pls s TRP 25 Cb -0.04 -2.42 0.06 0.00 -1.50 0.00 0.00 33.47 29.57 1pls s TRP 25 CO 0.03 0.47 0.39 0.54 -4.62 0.00 0.00 176.95 173.76 1pls s VAL 26 N -1.36 -0.18 -0.35 5.86 0.11 -0.76 -0.09 120.40 123.63 1pls s VAL 26 Ca 0.35 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1pls s VAL 26 Cb -0.16 -0.59 0.10 0.00 -1.53 0.00 0.00 36.38 34.20 1pls s VAL 26 CO 0.19 0.05 0.08 0.68 -3.33 0.00 0.00 175.10 172.78 1pls s VAL 27 N 1.70 2.63 -0.48 2.04 -7.23 -0.95 -1.72 120.40 116.40 1pls s VAL 27 Ca -0.07 -2.15 -0.28 0.00 -1.81 0.00 0.00 61.98 57.67 1pls s VAL 27 Cb -0.10 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 34.03 1pls s VAL 27 CO -0.12 -0.56 1.07 -1.48 -0.31 0.00 0.00 175.10 173.70 1pls s LEU 28 N 1.01 3.76 0.37 1.32 0.05 -0.61 -2.28 118.68 122.30 1pls s LEU 28 Ca 0.08 0.32 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1pls s LEU 28 Cb -0.20 -3.41 -0.02 0.00 -2.05 0.00 0.00 46.19 40.51 1pls s LEU 28 CO -0.06 -1.20 0.57 -0.76 -0.55 0.00 0.00 176.35 174.35 1pls s LEU 29 N 4.24 3.92 0.36 1.48 1.02 0.18 -1.31 118.68 128.57 1pls s LEU 29 Ca 0.44 0.32 0.27 0.00 0.02 0.00 0.00 54.13 55.18 1pls s LEU 29 Cb -0.08 -3.19 1.03 0.00 0.02 0.00 0.00 46.19 43.96 1pls s LEU 29 CO 0.30 -0.42 1.80 1.05 0.02 0.00 0.00 176.35 179.10 1pls h GLU 30 N 0.68 0.00 -0.42 1.70 4.11 -1.94 -2.60 114.58 116.12 1pls h GLU 30 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1pls h GLU 30 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1pls h GLU 30 CO 0.59 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.42 1pls n ASP 31 N -2.58 3.24 0.00 3.06 8.00 -1.26 -4.75 116.55 122.26 1pls n ASP 31 Ca 0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.59 1pls n ASP 31 Cb 0.31 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.14 3.89 3.43 0.44 0.00 -0.98 -4.64 105.19 108.46 1pls n GLY 32 Ca 0.17 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 3.73 -0.19 -0.61 1.09 -0.69 -0.64 121.20 121.88 1pls s ILE 33 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 1pls s ILE 33 Cb 0.00 -2.66 0.05 0.00 -1.06 0.00 0.00 42.46 38.79 1pls s ILE 33 CO 0.00 0.46 -0.06 -1.83 -0.10 0.00 0.00 174.94 173.40 1pls s GLU 34 N 0.82 1.60 0.09 2.79 -1.05 -0.97 -0.54 118.70 121.45 1pls s GLU 34 Ca -0.01 -0.70 0.09 0.00 -0.15 0.00 0.00 54.97 54.20 1pls s GLU 34 Cb -0.14 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1pls s GLU 34 CO 0.02 -0.47 -0.22 -0.59 0.95 0.00 0.00 175.26 174.95 1pls s PHE 35 N 1.53 2.45 0.00 4.83 -0.12 -0.98 -2.24 117.98 123.44 1pls s PHE 35 Ca -0.01 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1pls s PHE 35 Cb -0.16 -1.36 0.00 0.00 -0.63 0.00 0.00 43.02 40.87 1pls s PHE 35 CO -0.08 0.30 0.00 0.66 -0.05 0.00 0.00 175.22 176.06 1pls n TYR 36 N 1.16 0.00 -0.05 3.49 4.02 0.88 -1.94 117.16 124.71 1pls n TYR 36 Ca -0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.51 1pls n TYR 36 Cb 0.53 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.72 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.67 -1.79 -0.72 3.00 -1.26 -0.67 118.16 117.39 1pls n LYS 37 Ca 0.00 0.35 -0.05 0.00 -0.00 0.00 0.00 58.31 58.62 1pls n LYS 37 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.35 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 -3.82 1.23 0.32 1.64 4.76 -1.26 -2.04 118.16 118.99 1pls n LYS 38 Ca -0.35 -0.64 0.14 0.00 -2.87 0.00 0.00 58.31 54.59 1pls n LYS 38 Cb 0.91 0.04 0.76 0.00 -1.84 0.00 0.00 35.03 34.91 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.94 -3.37 116.57 116.87 1pls h LYS 39 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pls h LYS 39 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1pls h LYS 39 CO 0.10 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.71 1pls n SER 40 N -2.81 0.00 -0.08 4.20 7.64 -1.26 -4.95 113.62 116.36 1pls n SER 40 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 1pls n SER 40 Cb 0.39 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.48 -5.68 -1.52 6.43 2.03 -1.26 -2.95 116.55 111.12 1pls n ASP 41 Ca 0.00 0.03 -0.02 0.00 0.52 0.00 0.00 54.79 55.32 1pls n ASP 41 Cb 0.00 -3.27 -0.01 0.00 -0.72 0.00 0.00 41.12 37.13 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 -0.91 -0.78 -3.15 1.67 5.15 -1.26 -4.75 115.26 111.23 1pls n ASN 42 Ca -0.01 0.18 0.05 0.00 -0.60 0.00 0.00 54.58 54.20 1pls n ASN 42 Cb 0.46 -1.02 -0.01 0.00 -0.53 0.00 0.00 39.78 38.67 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 -1.43 -0.79 0.20 1.20 0.15 -1.15 -5.14 113.70 106.74 1pls s SER 43 Ca 0.00 0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.86 1pls s SER 43 Cb 0.00 1.67 -0.08 0.00 -1.71 0.00 0.00 66.02 65.90 1pls s SER 43 CO 0.00 -0.15 1.23 -2.16 1.20 0.00 0.00 173.24 173.36 1pls s PRO 44 N 2.91 4.47 0.13 5.44 0.04 -1.26 -4.60 135.00 142.12 1pls s PRO 44 Ca 0.07 1.93 0.19 0.00 0.04 0.00 0.00 61.00 63.23 1pls s PRO 44 Cb -0.12 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 1pls s PRO 44 CO -0.15 -0.12 0.94 -0.22 0.04 0.00 0.00 177.00 177.50 1pls h LYS 45 N 5.10 0.00 -1.46 4.56 3.64 -1.73 -3.48 116.57 123.21 1pls h LYS 45 Ca -0.45 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1pls h LYS 45 Cb 1.21 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.79 1pls h LYS 45 CO 0.74 0.19 0.62 0.20 -2.27 0.00 0.00 179.45 178.93 1pls s GLY 46 N -4.62 -0.16 -0.03 5.01 0.00 -1.23 -4.98 107.32 101.31 1pls s GLY 46 Ca -0.02 2.33 0.00 0.00 0.00 0.00 0.00 44.72 47.04 1pls s GLY 46 CO 0.80 1.20 -0.00 1.06 0.00 0.00 0.00 173.10 176.16 1pls s MET 47 N -0.84 0.39 -0.45 2.90 -1.94 -1.26 -2.32 119.30 115.77 1pls s MET 47 Ca 0.01 0.06 -0.21 0.00 -1.71 0.00 0.00 55.69 53.84 1pls s MET 47 Cb -0.01 -0.56 0.03 0.00 2.01 0.00 0.00 34.83 36.29 1pls s MET 47 CO -0.02 -0.14 0.68 0.42 -0.01 0.00 0.00 175.02 175.95 1pls s ILE 48 N 1.09 4.78 0.01 2.53 1.01 0.30 -4.90 121.20 126.01 1pls s ILE 48 Ca -0.09 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1pls s ILE 48 Cb -0.14 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1pls s ILE 48 CO -0.02 -0.65 1.42 -2.16 0.00 0.00 0.00 174.94 173.53 1pls s PRO 49 N 2.94 4.28 0.00 2.79 0.04 -1.26 -1.70 135.00 142.08 1pls s PRO 49 Ca 0.24 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.50 1pls s PRO 49 Cb -0.14 -3.57 1.27 0.00 0.04 0.00 0.00 34.50 32.10 1pls s PRO 49 CO 0.19 -0.59 1.75 1.28 0.04 0.00 0.00 177.00 179.67 1pls n LEU 50 N 5.38 0.00 -0.19 -3.56 4.32 -1.26 -3.87 117.00 117.81 1pls n LEU 50 Ca 0.13 0.14 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1pls n LEU 50 Cb 0.43 -0.14 -0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1pls n LEU 50 CO 0.59 -0.04 0.53 0.50 -1.22 0.00 0.00 177.39 177.75 1pls h LYS 51 N 0.00 -0.27 -0.21 3.23 3.64 -1.93 -3.39 116.57 117.63 1pls h LYS 51 Ca 0.00 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.22 1pls h LYS 51 Cb 0.10 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 31.84 1pls h LYS 51 CO 0.00 -0.18 -0.42 0.41 -2.27 0.00 0.00 179.45 176.99 1pls n GLY 52 N -1.38 -0.40 2.20 5.01 0.00 -1.25 -4.70 105.19 104.67 1pls n GLY 52 Ca -0.01 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 1pls n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 53 N 1.93 1.01 -3.56 1.61 7.64 -1.26 0.01 113.62 121.01 1pls n SER 53 Ca 0.10 -1.77 -0.24 0.00 1.01 0.00 0.00 58.87 57.97 1pls n SER 53 Cb 0.63 -0.29 -0.15 0.00 -1.01 0.00 0.00 64.21 63.38 1pls n SER 53 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1pls s THR 54 N -1.29 -0.16 -0.38 0.44 -4.23 -0.01 -4.81 115.64 105.19 1pls s THR 54 Ca 0.36 -0.25 -0.22 0.00 -1.18 0.00 0.00 61.69 60.40 1pls s THR 54 Cb -0.02 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1pls s THR 54 CO 0.23 -0.34 0.71 -0.22 -0.54 0.00 0.00 174.62 174.46 1pls s LEU 55 N 2.19 4.24 -0.34 4.79 1.98 -1.26 0.20 118.68 130.49 1pls s LEU 55 Ca 0.05 0.11 -0.10 0.00 -2.89 0.00 0.00 54.13 51.29 1pls s LEU 55 Cb -0.16 -2.88 0.01 0.00 0.66 0.00 0.00 46.19 43.82 1pls s LEU 55 CO -0.15 -0.71 0.18 -0.89 -1.89 0.00 0.00 176.35 172.88 1pls s THR 56 N 2.94 4.57 -0.05 3.68 2.01 -0.56 -4.98 115.64 123.25 1pls s THR 56 Ca 0.27 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1pls s THR 56 Cb -0.14 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1pls s THR 56 CO 0.17 -0.08 0.12 -0.55 -0.69 0.00 0.00 174.62 173.60 1pls s SER 57 N 1.58 -0.13 1.05 3.53 0.15 -1.26 -2.42 113.70 116.20 1pls s SER 57 Ca 0.03 0.25 -0.17 0.00 0.70 0.00 0.00 55.95 56.76 1pls s SER 57 Cb -0.18 0.25 0.23 0.00 -1.71 0.00 0.00 66.02 64.61 1pls s SER 57 CO 0.06 -0.05 1.26 -0.81 1.20 0.00 0.00 173.24 174.90 1pls n PRO 58 N 3.09 -1.61 -4.72 5.44 -0.04 -1.26 -5.12 135.00 130.77 1pls n PRO 58 Ca -0.13 -1.96 -0.24 0.00 -0.04 0.00 0.00 63.50 61.13 1pls n PRO 58 Cb 0.59 -1.39 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.14 0.55 0.00 0.00 -0.21 -1.26 -4.56 119.66 114.04 1pls s GLN 60 Ca 0.01 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.19 1pls s GLN 60 Cb -0.08 -1.17 0.00 0.00 1.00 0.00 0.00 33.01 32.76 1pls s GLN 60 CO 0.00 -1.20 0.00 -0.40 -2.12 0.00 0.00 175.29 171.57 1pls n ASP 61 N 4.12 0.00 -0.04 5.90 5.75 -1.26 -4.76 116.55 126.26 1pls n ASP 61 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.68 1pls n ASP 61 Cb 0.39 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.35 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1pls h PHE 62 N 0.00 0.26 0.00 2.11 3.04 -1.98 -3.40 116.94 116.97 1pls h PHE 62 Ca 0.00 -0.19 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1pls h PHE 62 Cb 0.00 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1pls h PHE 62 CO 0.00 1.58 -1.39 0.41 -2.02 0.00 0.00 178.31 176.89 1pls n GLY 63 N 1.68 -0.33 4.28 2.40 0.00 -1.26 -4.99 105.19 106.97 1pls n GLY 63 Ca -0.29 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.98 -0.80 -0.36 1.61 4.81 -1.26 -4.71 118.16 115.47 1pls n LYS 64 Ca -0.06 0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1pls n LYS 64 Cb 0.43 -4.04 0.02 0.00 0.02 0.00 0.00 35.03 31.46 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 -3.95 0.29 -1.17 1.64 1.74 -1.26 -4.94 116.66 109.01 1pls n ARG 65 Ca -0.02 -1.21 0.13 0.00 -0.77 0.00 0.00 57.85 55.99 1pls n ARG 65 Cb 0.49 -0.67 -0.07 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.24 -2.73 -1.14 5.56 2.81 -1.26 -4.81 117.12 115.30 1pls n MET 66 Ca 0.03 2.23 -0.05 0.00 -1.81 0.00 0.00 57.70 58.10 1pls n MET 66 Cb 0.65 -3.16 -0.02 0.00 -0.71 0.00 0.00 33.22 29.98 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 -3.82 0.00 -4.52 2.03 3.72 -1.26 -4.93 117.46 108.68 1pls n PHE 67 Ca -0.07 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.01 1pls n PHE 67 Cb 0.55 -1.33 -0.16 0.00 -0.94 0.00 0.00 39.48 37.60 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 -2.00 1.92 0.37 -4.37 0.11 -1.26 -1.60 120.40 113.57 1pls s VAL 68 Ca 0.00 -0.89 0.08 0.00 -2.93 0.00 0.00 61.98 58.24 1pls s VAL 68 Cb 0.00 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 1pls s VAL 68 CO 0.00 0.52 0.23 0.72 -3.33 0.00 0.00 175.10 173.24 1pls s PHE 69 N 0.95 2.73 -0.19 1.54 -0.71 -0.97 -1.71 117.98 119.61 1pls s PHE 69 Ca -0.05 -0.43 -0.04 0.00 -1.04 0.00 0.00 56.93 55.37 1pls s PHE 69 Cb -0.15 -1.84 0.08 0.00 -1.21 0.00 0.00 43.02 39.90 1pls s PHE 69 CO -0.04 0.18 0.16 -1.59 -1.34 0.00 0.00 175.22 172.60 1pls s LYS 70 N -3.95 0.14 0.53 1.99 -2.85 -1.01 -2.50 119.74 112.09 1pls s LYS 70 Ca 0.41 0.06 -0.01 0.00 -1.00 0.00 0.00 55.97 55.43 1pls s LYS 70 Cb -0.02 -1.47 0.01 0.00 -2.06 0.00 0.00 37.83 34.30 1pls s LYS 70 CO 0.24 -0.68 0.78 0.42 0.10 0.00 0.00 175.35 176.21 1pls s ILE 71 N 2.24 3.42 -0.39 3.79 1.01 -0.61 -1.50 121.20 129.16 1pls s ILE 71 Ca 0.05 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1pls s ILE 71 Cb -0.16 -3.30 0.16 0.00 0.01 0.00 0.00 42.46 39.17 1pls s ILE 71 CO -0.12 -0.24 0.33 -0.89 0.00 0.00 0.00 174.94 174.02 1pls s THR 72 N -2.76 -0.03 1.01 2.92 2.01 0.13 -1.63 115.64 117.30 1pls s THR 72 Ca 0.53 -1.71 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1pls s THR 72 Cb -0.10 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1pls s THR 72 CO 0.40 -0.87 -0.03 0.35 -0.69 0.00 0.00 174.62 173.77 1pls n THR 73 N 3.68 0.00 0.33 -0.82 -2.24 -0.86 -0.83 114.28 113.55 1pls n THR 73 Ca 0.17 -0.25 0.19 0.00 -2.27 0.00 0.00 64.05 61.89 1pls n THR 73 Cb 0.44 -0.48 1.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.58 0.01 -0.38 4.28 1.03 -0.70 0.11 112.91 115.69 1pls h THR 74 Ca -0.46 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.80 1pls h THR 74 Cb 1.31 0.84 -0.09 0.00 -1.07 0.00 0.00 68.15 69.15 1pls h THR 74 CO 0.33 0.00 0.18 0.29 -0.01 0.00 0.00 175.52 176.31 1pls n LYS 75 N -3.01 2.04 -2.43 0.00 4.76 -1.26 -4.82 118.16 113.44 1pls n LYS 75 Ca -0.02 -1.39 -0.16 0.00 -2.87 0.00 0.00 58.31 53.86 1pls n LYS 75 Cb 0.22 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1pls n GLN 76 N -0.04 -2.01 -2.94 1.97 3.00 0.38 -4.89 117.38 112.85 1pls n GLN 76 Ca 0.22 0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 57.55 1pls n GLN 76 Cb 0.90 -5.40 -0.04 0.00 0.00 0.00 0.00 30.24 25.69 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1pls s GLN 77 N -5.04 3.15 0.38 -1.09 -0.21 -1.22 -4.85 119.66 110.78 1pls s GLN 77 Ca 0.00 -0.78 -0.24 0.00 0.02 0.00 0.00 55.36 54.36 1pls s GLN 77 Cb -0.00 -4.17 -0.09 0.00 1.00 0.00 0.00 33.01 29.74 1pls s GLN 77 CO 0.00 -1.60 1.01 -0.51 -2.12 0.00 0.00 175.29 172.06 1pls s ASP 78 N 3.32 6.95 -0.19 5.90 1.11 -1.26 -2.03 116.67 130.48 1pls s ASP 78 Ca 0.21 1.94 -0.04 0.00 0.18 0.00 0.00 52.55 54.84 1pls s ASP 78 Cb -0.17 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.32 1pls s ASP 78 CO 0.12 -0.35 0.17 -1.00 1.18 0.00 0.00 175.17 175.29 1pls s HIS 79 N -1.71 -0.09 -0.24 4.23 3.76 -0.64 -4.93 115.29 115.67 1pls s HIS 79 Ca 0.56 0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 55.41 1pls s HIS 79 Cb -0.19 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 1pls s HIS 79 CO 0.25 -0.57 0.04 -0.06 -0.85 0.00 0.00 174.74 173.55 1pls s PHE 80 N 2.25 3.06 -0.01 1.40 0.40 -1.26 -1.58 117.98 122.25 1pls s PHE 80 Ca 0.05 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1pls s PHE 80 Cb -0.16 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1pls s PHE 80 CO -0.11 -0.37 -0.03 -0.59 0.70 0.00 0.00 175.22 174.83 1pls s PHE 81 N 1.49 0.29 0.00 0.36 -0.12 -1.04 -1.91 117.98 117.05 1pls s PHE 81 Ca 0.06 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1pls s PHE 81 Cb -0.15 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.00 1pls s PHE 81 CO 0.02 -0.02 0.05 -1.14 -0.05 0.00 0.00 175.22 174.09 1pls s GLN 82 N 0.03 2.95 0.00 1.99 0.74 0.14 -2.29 119.66 123.22 1pls s GLN 82 Ca 0.00 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1pls s GLN 82 Cb -0.02 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.30 1pls s GLN 82 CO -0.00 0.63 0.00 0.00 -0.55 0.00 0.00 175.29 175.37 1pls n ALA 83 N 1.22 0.00 0.24 1.58 0.00 -0.63 -2.36 120.51 120.57 1pls n ALA 83 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1pls n ALA 83 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 1pls n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pls h ALA 84 N -1.03 0.68 -2.92 0.00 0.00 -1.90 -3.47 119.26 110.62 1pls h ALA 84 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1pls h ALA 84 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1pls h ALA 84 CO 0.00 0.00 0.26 -0.59 0.00 0.00 0.00 179.25 178.92 1pls s PHE 85 N -3.27 -0.19 0.07 0.00 -0.71 -1.26 -5.04 117.98 107.57 1pls s PHE 85 Ca 0.03 -0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 55.38 1pls s PHE 85 Cb 0.09 0.70 -0.18 0.00 -1.21 0.00 0.00 43.02 42.42 1pls s PHE 85 CO 0.74 -1.18 1.63 1.25 -1.34 0.00 0.00 175.22 176.32 1pls h LEU 86 N 2.00 -0.54 -0.78 -1.99 6.46 -1.93 -0.95 115.31 117.57 1pls h LEU 86 Ca -0.20 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.70 1pls h LEU 86 Cb 1.25 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.18 1pls h LEU 86 CO 0.24 -0.37 -0.34 -0.08 -0.62 0.00 0.00 178.44 177.26 1pls h GLU 87 N -0.66 -0.07 -0.14 1.25 4.81 -2.00 0.66 114.58 118.43 1pls h GLU 87 Ca -0.07 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1pls h GLU 87 Cb 0.50 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1pls h GLU 87 CO 0.11 -0.05 -0.20 1.49 -0.73 0.00 0.00 179.01 179.63 1pls h GLU 88 N -0.08 0.24 0.00 1.92 4.81 -1.93 -2.02 114.58 117.52 1pls h GLU 88 Ca 0.30 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1pls h GLU 88 Cb 0.58 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1pls h GLU 88 CO -0.83 0.44 -0.22 -0.09 -0.73 0.00 0.00 179.01 177.58 1pls h ARG 89 N 0.22 0.00 0.17 1.92 1.12 0.17 -0.79 114.38 117.19 1pls h ARG 89 Ca 0.04 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.62 1pls h ARG 89 Cb 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.46 1pls h ARG 89 CO 0.03 0.22 -1.38 0.22 -3.11 0.00 0.00 179.97 175.95 1pls h ASP 90 N 0.00 0.56 0.88 -3.80 3.58 -0.33 -2.58 116.42 114.73 1pls h ASP 90 Ca -0.00 -0.91 -0.03 0.00 0.42 0.00 0.00 57.03 56.51 1pls h ASP 90 Cb 0.53 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1pls h ASP 90 CO 0.03 1.63 -0.12 0.00 -2.88 0.00 0.00 179.24 177.90 1pls h ALA 91 N 0.06 1.04 0.19 -0.78 0.00 -1.27 -0.82 119.26 117.68 1pls h ALA 91 Ca -0.27 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.19 1pls h ALA 91 Cb 1.91 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.69 1pls h ALA 91 CO 0.15 0.15 -1.64 -1.49 0.00 0.00 0.00 179.25 176.42 1pls h TRP 92 N 0.00 0.73 0.00 0.00 4.06 -1.21 -2.58 115.95 116.96 1pls h TRP 92 Ca -0.00 -0.54 -0.12 0.00 2.06 0.00 0.00 58.89 60.29 1pls h TRP 92 Cb 0.59 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1pls h TRP 92 CO 0.00 1.59 -0.57 -0.24 -3.56 0.00 0.00 178.44 175.67 1pls h VAL 93 N 0.11 1.10 0.03 1.49 3.04 -1.31 -2.30 116.25 118.40 1pls h VAL 93 Ca -0.30 -2.19 -0.25 0.00 -1.01 0.00 0.00 66.70 62.95 1pls h VAL 93 Cb 2.10 2.30 -0.03 0.00 -2.01 0.00 0.00 31.29 33.65 1pls h VAL 93 CO 0.20 0.55 -1.25 0.08 -1.01 0.00 0.00 177.57 176.15 1pls h ARG 94 N 0.00 0.05 0.08 4.17 -0.00 -1.25 -2.40 114.38 115.03 1pls h ARG 94 Ca -0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.98 59.88 1pls h ARG 94 Cb 1.25 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 1pls h ARG 94 CO 0.07 0.92 -0.04 -0.44 -0.00 0.00 0.00 179.97 180.48 1pls h ASP 95 N 0.01 -0.09 -0.11 0.08 5.19 -1.45 0.15 116.42 120.21 1pls h ASP 95 Ca -0.11 -0.51 -0.03 0.00 -0.62 0.00 0.00 57.03 55.76 1pls h ASP 95 Cb 1.87 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.39 1pls h ASP 95 CO 0.13 0.58 -0.01 0.40 -3.12 0.00 0.00 179.24 177.22 1pls h ILE 96 N -0.88 1.14 0.00 0.35 2.04 -1.56 -1.49 117.51 117.11 1pls h ILE 96 Ca -0.01 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.17 1pls h ILE 96 Cb 0.59 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pls h ILE 96 CO 0.02 0.18 -0.66 -1.13 0.00 0.00 0.00 178.15 176.56 1pls h ASN 97 N 0.30 0.00 0.19 1.72 -0.00 -1.46 -2.63 115.58 113.70 1pls h ASN 97 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.36 1pls h ASN 97 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1pls h ASN 97 CO 0.01 0.66 -0.09 0.50 -0.00 0.00 0.00 177.43 178.50 1pls h LYS 98 N 0.00 -0.24 -0.70 6.67 1.63 0.30 -1.16 116.57 123.06 1pls h LYS 98 Ca -0.01 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1pls h LYS 98 Cb 1.50 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 33.15 1pls h LYS 98 CO 0.09 0.15 0.34 0.00 -3.45 0.00 0.00 179.45 176.58 1pls h ALA 99 N -0.09 1.28 -0.70 5.00 0.00 -1.47 0.02 119.26 123.29 1pls h ALA 99 Ca -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1pls h ALA 99 Cb 0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1pls h ALA 99 CO 0.04 0.56 0.30 0.82 0.00 0.00 0.00 179.25 180.97 1pls h ILE 100 N 1.00 1.24 0.00 0.00 2.04 -1.43 0.11 117.51 120.46 1pls h ILE 100 Ca 0.24 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1pls h ILE 100 Cb 0.10 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1pls h ILE 100 CO -0.03 0.29 -0.01 0.29 0.00 0.00 0.00 178.15 178.69 1pls n LYS 101 N -4.31 0.13 0.04 2.37 5.02 -0.45 -2.61 118.16 118.35 1pls n LYS 101 Ca 0.06 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1pls n LYS 101 Cb 0.16 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls n ILE 103 N -2.32 1.36 1.30 0.00 2.08 0.25 -2.90 119.36 119.13 1pls n ILE 103 Ca -0.01 -0.74 0.12 0.00 0.56 0.00 0.00 62.75 62.68 1pls n ILE 103 Cb 0.53 -0.85 0.66 0.00 -0.75 0.00 0.00 39.64 39.22 1pls n ILE 103 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pls n GLU 104 N -2.94 0.52 -0.09 0.38 1.02 -1.07 -2.83 120.64 115.62 1pls n GLU 104 Ca -0.13 0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.06 1pls n GLU 104 Cb 0.94 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.66 0.41 2.73 0.62 0.00 -1.24 -4.85 105.19 103.52 1pls n GLY 105 Ca 0.14 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.33 6.57 0.07 0.99 -0.00 -1.13 -4.59 117.00 118.57 1pls n LEU 106 Ca 0.02 -5.42 0.00 0.00 -0.00 0.00 0.00 56.01 50.61 1pls n LEU 106 Cb 0.47 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1pls n LEU 106 CO 0.00 2.11 -0.07 -0.62 -0.00 0.00 0.00 177.39 178.81 1pls n GLU 107 N -0.16 0.00 -2.66 1.96 1.02 -1.26 -5.00 120.64 114.54 1pls n GLU 107 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1pls n GLU 107 Cb 0.30 -0.33 0.02 0.00 -0.02 0.00 0.00 31.44 31.42 1pls n GLU 107 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pls s HIS 108 N -2.00 -0.02 0.58 -0.32 3.76 -1.26 -5.14 115.29 110.88 1pls s HIS 108 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1pls s HIS 108 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.69 1pls s HIS 108 CO 0.00 -0.02 0.00 0.72 -0.85 0.00 0.00 174.74 174.59 1pls n HIS 109 N 3.15 -4.00 -1.98 1.40 8.25 -1.26 -4.42 115.22 116.36 1pls n HIS 109 Ca 0.06 2.18 -0.36 0.00 -0.26 0.00 0.00 57.72 59.34 1pls n HIS 109 Cb 0.66 -3.46 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 1pls n HIS 109 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1pls s HIS 110 N -5.04 1.60 -0.43 4.41 -3.43 -1.26 -4.84 115.29 106.29 1pls s HIS 110 Ca 0.00 0.88 0.05 0.00 -0.80 0.00 0.00 55.06 55.19 1pls s HIS 110 Cb 0.00 -4.01 0.18 0.00 -1.43 0.00 0.00 32.58 27.32 1pls s HIS 110 CO 0.00 -2.24 0.38 1.58 -2.00 0.00 0.00 174.74 172.46 1pls n HIS 111 N 13.42 -0.49 0.00 0.38 -0.00 -1.26 -5.00 115.22 122.27 1pls n HIS 111 Ca 0.25 -3.42 0.00 0.00 -0.00 0.00 0.00 57.72 54.55 1pls n HIS 111 Cb 0.51 0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 1pls n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 112 N 2.57 0.00 0.81 1.57 -0.00 -1.26 -5.09 115.22 113.83 1pls n HIS 112 Ca 0.28 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 58.10 1pls n HIS 112 Cb 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.55 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92