#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 1.15 0.10 0.03 -1.05 -1.26 -5.12 118.70 112.55 1pls s GLU 2 Ca 0.00 -0.43 -0.36 0.00 -0.15 0.00 0.00 54.97 54.03 1pls s GLU 2 Cb 0.00 0.52 -0.16 0.00 -0.44 0.00 0.00 34.13 34.06 1pls s GLU 2 CO 0.00 -0.51 1.42 -2.30 0.95 0.00 0.00 175.26 174.83 1pls n PRO 3 N -0.34 1.44 -2.82 -4.83 -0.02 -1.26 -4.87 135.00 122.30 1pls n PRO 3 Ca -0.14 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.42 1pls n PRO 3 Cb 0.64 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.89 3.59 -1.66 -0.52 5.02 -1.26 -4.90 118.16 121.32 1pls n LYS 4 Ca 0.18 -3.91 0.00 0.00 -2.02 0.00 0.00 58.31 52.56 1pls n LYS 4 Cb 0.22 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 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 4.22 -4.77 0.14 1.97 3.00 -1.26 -4.69 116.66 115.26 1pls n ARG 5 Ca 0.35 3.55 -0.00 0.00 -0.01 0.00 0.00 57.85 61.74 1pls n ARG 5 Cb 0.39 -3.99 0.18 0.00 0.00 0.00 0.00 32.46 29.04 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 1.76 1.32 -4.08 0.55 2.04 -0.91 -3.46 117.51 114.73 1pls h ILE 6 Ca 0.00 -2.09 -0.14 0.00 1.00 0.00 0.00 64.86 63.63 1pls h ILE 6 Cb 0.00 2.16 -0.13 0.00 -0.74 0.00 0.00 36.82 38.11 1pls h ILE 6 CO 0.00 0.58 -0.41 -0.13 0.00 0.00 0.00 178.15 178.19 1pls s ARG 7 N -3.52 1.16 0.00 2.37 1.81 -0.92 -4.95 118.95 114.90 1pls s ARG 7 Ca -0.01 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1pls s ARG 7 Cb 0.12 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.96 1pls s ARG 7 CO 0.75 -0.41 0.00 -0.85 -0.68 0.00 0.00 175.30 174.11 1pls n GLU 8 N -0.22 0.00 0.00 3.54 0.00 -1.26 -0.35 120.64 122.36 1pls n GLU 8 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1pls n GLU 8 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.07 1pls n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pls n GLY 9 N 0.00 3.65 2.49 -1.84 0.00 -0.57 -4.98 105.19 103.93 1pls n GLY 9 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.45 0.57 0.30 1.61 1.13 -1.26 -2.32 117.35 116.94 1pls s TYR 10 Ca 0.00 -1.43 0.11 0.00 -1.41 0.00 0.00 57.07 54.34 1pls s TYR 10 Cb 0.00 -0.87 -0.05 0.00 -1.10 0.00 0.00 41.96 39.93 1pls s TYR 10 CO 0.00 -0.84 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.56 1pls s LEU 11 N 1.30 2.73 0.18 -3.49 2.01 -0.08 -4.64 118.68 116.68 1pls s LEU 11 Ca 0.16 -1.04 -0.22 0.00 0.01 0.00 0.00 54.13 53.04 1pls s LEU 11 Cb -0.21 -1.16 -0.08 0.00 0.01 0.00 0.00 46.19 44.75 1pls s LEU 11 CO -0.07 -0.06 0.73 0.54 1.01 0.00 0.00 176.35 178.50 1pls s VAL 12 N -2.52 4.49 0.02 -1.59 0.11 -0.97 -0.21 120.40 119.73 1pls s VAL 12 Ca 0.31 1.48 0.07 0.00 -2.93 0.00 0.00 61.98 60.92 1pls s VAL 12 Cb -0.03 -4.00 -0.02 0.00 -1.53 0.00 0.00 36.38 30.81 1pls s VAL 12 CO 0.16 0.41 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.58 1pls s LYS 13 N -1.46 1.62 -0.34 1.54 1.02 -0.97 -1.32 119.74 119.83 1pls s LYS 13 Ca 0.38 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 55.24 1pls s LYS 13 Cb -0.20 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1pls s LYS 13 CO 0.23 0.44 0.74 0.21 -0.92 0.00 0.00 175.35 176.05 1pls s LYS 14 N -0.91 3.82 0.00 1.68 2.20 -0.50 -3.86 119.74 122.18 1pls s LYS 14 Ca 0.09 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1pls s LYS 14 Cb -0.09 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1pls s LYS 14 CO 0.01 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1pls n GLY 15 N 4.45 1.32 0.00 5.54 0.00 -1.23 -4.53 105.19 110.73 1pls n GLY 15 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.01 1.61 7.64 -1.26 -4.91 113.62 116.69 1pls n SER 16 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1pls n SER 16 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.45 0.00 0.00 0.44 0.24 -1.26 -4.85 118.33 112.45 1pls n VAL 17 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1pls n VAL 17 Cb 0.00 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pls n PHE 18 N -2.09 0.00 -2.36 6.34 3.72 -1.26 -5.08 117.46 116.73 1pls n PHE 18 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 1pls n PHE 18 Cb 0.47 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.00 -1.09 -1.13 4.37 3.02 -1.26 -5.04 115.26 114.13 1pls n ASN 19 Ca 0.00 1.12 -0.01 0.00 -0.03 0.00 0.00 54.58 55.66 1pls n ASN 19 Cb 0.00 -4.47 -0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pls n THR 20 N 1.40 0.00 -3.55 3.41 -2.24 -1.26 -4.89 114.28 107.15 1pls n THR 20 Ca -0.33 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 1pls n THR 20 Cb 0.51 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 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 -5.06 0.09 -0.10 4.78 0.52 -1.26 -3.56 118.94 114.35 1pls s TRP 21 Ca 0.02 -0.38 -0.07 0.00 0.02 0.00 0.00 56.10 55.68 1pls s TRP 21 Cb -0.00 -0.68 0.03 0.00 -1.15 0.00 0.00 33.47 31.67 1pls s TRP 21 CO 0.01 -0.67 0.25 0.15 0.02 0.00 0.00 176.95 176.71 1pls s LYS 22 N 2.18 0.26 0.86 4.98 1.02 -1.25 -4.99 119.74 122.81 1pls s LYS 22 Ca 0.06 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.31 1pls s LYS 22 Cb -0.16 0.05 0.01 0.00 -0.52 0.00 0.00 37.83 37.22 1pls s LYS 22 CO -0.21 -0.08 0.50 -2.30 -0.92 0.00 0.00 175.35 172.34 1pls n PRO 23 N 3.38 -0.05 -3.64 -1.68 -0.02 -1.26 -2.30 135.00 129.43 1pls n PRO 23 Ca -0.17 0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 1pls n PRO 23 Cb 0.57 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 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 -3.36 0.93 0.13 -0.52 0.23 0.71 -4.76 119.30 112.66 1pls s MET 24 Ca 0.61 -0.46 -0.15 0.00 -1.03 0.00 0.00 55.69 54.66 1pls s MET 24 Cb -0.26 0.36 -0.07 0.00 -1.53 0.00 0.00 34.83 33.32 1pls s MET 24 CO 0.63 -0.42 0.55 -0.46 -2.03 0.00 0.00 175.02 173.29 1pls s TRP 25 N -3.09 3.65 -0.15 3.16 -0.11 -0.11 -0.90 118.94 121.39 1pls s TRP 25 Ca 0.10 1.09 -0.13 0.00 1.22 0.00 0.00 56.10 58.39 1pls s TRP 25 Cb -0.01 -2.39 0.04 0.00 -1.50 0.00 0.00 33.47 29.62 1pls s TRP 25 CO -0.03 0.47 0.38 0.54 -4.62 0.00 0.00 176.95 173.69 1pls s VAL 26 N -1.39 -0.00 -0.14 5.86 0.11 -0.98 0.05 120.40 123.92 1pls s VAL 26 Ca 0.36 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1pls s VAL 26 Cb -0.16 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1pls s VAL 26 CO 0.19 0.01 -0.12 0.68 -3.33 0.00 0.00 175.10 172.52 1pls s VAL 27 N 0.37 1.40 -0.20 2.04 -7.23 -0.60 -1.51 120.40 114.66 1pls s VAL 27 Ca -0.01 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 1pls s VAL 27 Cb -0.04 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1pls s VAL 27 CO -0.01 0.43 1.09 -0.76 -0.31 0.00 0.00 175.10 175.53 1pls s LEU 28 N 1.53 4.13 0.25 1.32 1.43 0.53 -2.33 118.68 125.55 1pls s LEU 28 Ca 0.05 1.46 0.10 0.00 -1.03 0.00 0.00 54.13 54.71 1pls s LEU 28 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1pls s LEU 28 CO -0.10 -0.67 -0.08 -0.76 0.23 0.00 0.00 176.35 174.98 1pls s LEU 29 N 3.15 2.98 0.00 1.79 1.02 -0.88 -0.18 118.68 126.55 1pls s LEU 29 Ca 0.47 -0.73 0.19 0.00 0.02 0.00 0.00 54.13 54.08 1pls s LEU 29 Cb -0.17 -1.54 0.82 0.00 0.02 0.00 0.00 46.19 45.32 1pls s LEU 29 CO 0.09 0.04 1.61 -1.84 0.02 0.00 0.00 176.35 176.26 1pls n GLU 30 N -0.58 0.02 0.00 1.70 0.28 -1.26 -2.31 120.64 118.49 1pls n GLU 30 Ca -0.07 0.17 0.07 0.00 -0.16 0.00 0.00 57.16 57.16 1pls n GLU 30 Cb 0.58 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.97 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pls n ASP 31 N -1.48 1.67 0.00 -1.84 5.68 -1.26 -4.75 116.55 114.57 1pls n ASP 31 Ca 0.05 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1pls n ASP 31 Cb 0.22 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.98 3.78 3.51 6.12 0.00 -0.98 -4.55 105.19 114.05 1pls n GLY 32 Ca 0.06 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 4.63 -0.28 -0.61 1.09 -0.60 -2.08 121.20 121.34 1pls s ILE 33 Ca 0.00 0.09 -0.09 0.00 -1.10 0.00 0.00 60.65 59.55 1pls s ILE 33 Cb 0.00 -4.39 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 1pls s ILE 33 CO 0.00 -0.88 0.12 -0.70 -0.10 0.00 0.00 174.94 173.38 1pls s GLU 34 N 3.32 3.52 0.07 2.79 2.56 -0.98 -1.34 118.70 128.65 1pls s GLU 34 Ca 0.25 -0.58 0.07 0.00 0.00 0.00 0.00 54.97 54.72 1pls s GLU 34 Cb -0.14 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.48 1pls s GLU 34 CO 0.18 -0.30 -0.20 -0.59 -0.56 0.00 0.00 175.26 173.79 1pls s PHE 35 N 1.63 1.72 0.00 5.30 -0.12 -1.03 -1.56 117.98 123.92 1pls s PHE 35 Ca 0.05 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1pls s PHE 35 Cb -0.16 -0.98 0.00 0.00 -0.63 0.00 0.00 43.02 41.25 1pls s PHE 35 CO 0.06 0.14 0.00 0.66 -0.05 0.00 0.00 175.22 176.03 1pls n TYR 36 N 1.45 0.00 -0.07 3.49 4.02 0.11 -2.02 117.16 124.14 1pls n TYR 36 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.48 1pls n TYR 36 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.73 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 -3.18 -0.72 4.81 -1.26 -0.93 118.16 117.54 1pls n LYS 37 Ca 0.00 0.31 -0.18 0.00 -0.87 0.00 0.00 58.31 57.57 1pls n LYS 37 Cb 0.00 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.40 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pls n LYS 38 N -3.75 1.00 -0.09 1.64 4.01 -1.26 -1.52 118.16 118.19 1pls n LYS 38 Ca -0.38 -2.30 0.25 0.00 -0.51 0.00 0.00 58.31 55.36 1pls n LYS 38 Cb 0.93 0.33 0.55 0.00 -0.51 0.00 0.00 35.03 36.33 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.93 -3.35 116.57 116.90 1pls h LYS 39 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1pls h LYS 39 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1pls h LYS 39 CO 0.38 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.99 1pls n SER 40 N -3.39 -0.10 -0.12 4.20 7.64 -1.26 -4.94 113.62 115.64 1pls n SER 40 Ca 0.17 0.03 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 1pls n SER 40 Cb 1.18 0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 64.71 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 -2.55 -5.79 -1.59 6.43 2.03 -1.26 -2.85 116.55 110.98 1pls n ASP 41 Ca 0.00 0.04 -0.02 0.00 0.52 0.00 0.00 54.79 55.33 1pls n ASP 41 Cb 0.00 -3.43 -0.00 0.00 -0.72 0.00 0.00 41.12 36.96 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pls n ASN 42 N -0.96 -0.80 -3.35 1.67 3.02 -1.26 -4.78 115.26 108.80 1pls n ASN 42 Ca -0.02 0.20 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 1pls n ASN 42 Cb 0.49 -1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pls s SER 43 N -1.46 -1.02 0.19 6.41 0.15 -1.13 -5.14 113.70 111.70 1pls s SER 43 Ca 0.00 0.99 -0.30 0.00 0.70 0.00 0.00 55.95 57.34 1pls s SER 43 Cb 0.00 2.00 -0.08 0.00 -1.71 0.00 0.00 66.02 66.22 1pls s SER 43 CO 0.00 -0.19 1.25 -2.16 1.20 0.00 0.00 173.24 173.33 1pls s PRO 44 N 2.80 4.45 0.21 5.44 0.04 -1.26 -4.49 135.00 142.19 1pls s PRO 44 Ca 0.05 1.95 0.22 0.00 0.04 0.00 0.00 61.00 63.26 1pls s PRO 44 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1pls s PRO 44 CO -0.18 -0.16 1.05 -0.22 0.04 0.00 0.00 177.00 177.53 1pls h LYS 45 N 5.31 0.00 0.00 4.56 3.64 -1.72 -3.49 116.57 124.88 1pls h LYS 45 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1pls h LYS 45 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1pls h LYS 45 CO 0.76 0.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.36 1pls n GLY 46 N 1.19 2.17 3.34 5.01 0.00 -1.21 -5.07 105.19 110.62 1pls n GLY 46 Ca -0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 1.45 -0.04 1.61 1.00 -1.26 -2.46 119.30 117.60 1pls s MET 47 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 55.69 53.90 1pls s MET 47 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 34.83 34.47 1pls s MET 47 CO 0.00 -0.27 -0.01 0.42 0.00 0.00 0.00 175.02 175.17 1pls s ILE 48 N -3.66 0.27 0.02 2.53 1.01 -0.45 -4.95 121.20 115.98 1pls s ILE 48 Ca 0.37 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 1pls s ILE 48 Cb 0.08 -0.37 -0.07 0.00 0.01 0.00 0.00 42.46 42.11 1pls s ILE 48 CO 0.14 0.18 1.53 -2.16 0.00 0.00 0.00 174.94 174.64 1pls s PRO 49 N 1.24 4.24 -0.14 2.79 0.04 -1.26 -1.56 135.00 140.35 1pls s PRO 49 Ca -0.06 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1pls s PRO 49 Cb -0.13 -3.62 0.35 0.00 0.04 0.00 0.00 34.50 31.14 1pls s PRO 49 CO -0.02 -0.67 1.20 1.47 0.04 0.00 0.00 177.00 179.02 1pls n LEU 50 N 5.63 3.75 -0.02 -3.56 -0.00 -1.26 -3.53 117.00 118.00 1pls n LEU 50 Ca 0.15 -1.93 -0.01 0.00 -0.00 0.00 0.00 56.01 54.22 1pls n LEU 50 Cb 0.42 -0.61 -0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1pls n LEU 50 CO 0.61 0.54 -0.08 0.50 -0.00 0.00 0.00 177.39 178.95 1pls h LYS 51 N 1.35 0.00 -0.02 1.47 3.64 -1.90 -3.34 116.57 117.77 1pls h LYS 51 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pls h LYS 51 Cb 1.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1pls h LYS 51 CO 0.33 0.00 -0.20 0.41 -2.27 0.00 0.00 179.45 177.72 1pls n GLY 52 N 1.77 0.47 3.20 5.01 0.00 -1.26 -4.27 105.19 110.11 1pls n GLY 52 Ca -0.02 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 0.67 -3.19 -4.46 1.61 3.41 -1.23 -1.37 113.62 109.05 1pls n SER 53 Ca 0.11 0.72 -0.26 0.00 -0.26 0.00 0.00 58.87 59.18 1pls n SER 53 Cb 0.51 -0.85 -0.11 0.00 -0.26 0.00 0.00 64.21 63.50 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 -1.80 2.53 -0.08 6.66 -1.32 0.14 -4.57 115.64 117.21 1pls s THR 54 Ca 0.57 -2.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.00 1pls s THR 54 Cb -0.56 -2.25 0.01 0.00 -1.51 0.00 0.00 72.50 68.18 1pls s THR 54 CO 0.63 -0.20 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.44 1pls s LEU 55 N -2.94 1.86 -0.14 9.08 1.98 -1.26 -1.33 118.68 125.92 1pls s LEU 55 Ca 0.24 -0.41 0.02 0.00 -2.89 0.00 0.00 54.13 51.08 1pls s LEU 55 Cb -0.07 -1.09 0.01 0.00 0.66 0.00 0.00 46.19 45.70 1pls s LEU 55 CO 0.12 0.10 -0.19 -0.89 -1.89 0.00 0.00 176.35 173.60 1pls s THR 56 N 0.46 1.87 -0.18 3.68 2.01 0.52 -4.96 115.64 119.04 1pls s THR 56 Ca -0.15 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1pls s THR 56 Cb -0.16 -1.68 0.08 0.00 0.01 0.00 0.00 72.50 70.75 1pls s THR 56 CO 0.06 0.51 0.37 -0.44 -0.69 0.00 0.00 174.62 174.43 1pls s SER 57 N 1.04 -0.04 1.08 3.53 0.01 -1.26 -1.59 113.70 116.46 1pls s SER 57 Ca -0.03 0.84 -0.10 0.00 1.31 0.00 0.00 55.95 57.97 1pls s SER 57 Cb -0.14 1.14 0.14 0.00 0.21 0.00 0.00 66.02 67.37 1pls s SER 57 CO -0.05 -0.24 0.62 -0.81 0.41 0.00 0.00 173.24 173.17 1pls n PRO 58 N 5.38 -1.53 -3.25 12.44 -0.04 -1.26 -5.12 135.00 141.62 1pls n PRO 58 Ca -0.08 -0.98 -0.19 0.00 -0.04 0.00 0.00 63.50 62.22 1pls n PRO 58 Cb 0.50 -0.80 -0.01 0.00 -0.04 0.00 0.00 33.50 33.15 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 -4.26 3.49 0.00 0.00 -0.21 -1.26 -3.03 119.66 114.39 1pls s GLN 60 Ca 0.52 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1pls s GLN 60 Cb -0.07 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1pls s GLN 60 CO 0.31 0.39 0.00 -3.47 -2.12 0.00 0.00 175.29 170.40 1pls n ASP 61 N 3.09 0.00 -0.10 5.90 -0.08 -1.26 -4.29 116.55 119.80 1pls n ASP 61 Ca -0.18 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 52.99 1pls n ASP 61 Cb 0.53 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.84 1pls n ASP 61 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1pls n PHE 62 N 0.00 0.00 1.79 -0.67 3.72 -1.26 -4.14 117.46 116.90 1pls n PHE 62 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1pls n PHE 62 Cb 0.00 -0.98 0.73 0.00 -0.94 0.00 0.00 39.48 38.29 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pls n GLY 63 N 1.89 -0.59 1.30 1.37 0.00 -1.17 -3.55 105.19 104.44 1pls n GLY 63 Ca -0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.51 2.46 0.00 1.61 4.81 -1.23 -4.41 118.16 120.89 1pls n LYS 64 Ca 0.21 -1.49 0.00 0.00 -0.87 0.00 0.00 58.31 56.16 1pls n LYS 64 Cb 0.20 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 0.11 0.00 0.00 1.64 5.12 -1.23 -5.00 116.66 117.30 1pls n ARG 65 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1pls n ARG 65 Cb 0.82 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.12 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1pls n MET 66 N 0.00 1.41 -3.24 5.56 2.81 -1.26 -4.95 117.12 117.44 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 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 0.06 3.72 -0.04 2.03 0.08 -1.26 -4.80 117.98 117.76 1pls s PHE 67 Ca 0.00 -2.00 0.01 0.00 0.12 0.00 0.00 56.93 55.06 1pls s PHE 67 Cb 0.00 -3.93 0.02 0.00 -0.57 0.00 0.00 43.02 38.54 1pls s PHE 67 CO 0.00 -1.10 -0.04 0.54 -0.10 0.00 0.00 175.22 174.53 1pls s VAL 68 N 0.47 0.45 0.37 -0.44 0.11 -1.26 -2.02 120.40 118.09 1pls s VAL 68 Ca 0.24 -0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 1pls s VAL 68 Cb -0.09 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1pls s VAL 68 CO -0.08 0.20 0.52 0.72 -3.33 0.00 0.00 175.10 173.12 1pls s PHE 69 N 0.83 2.97 -0.17 1.54 -0.12 -0.78 -3.53 117.98 118.71 1pls s PHE 69 Ca -0.10 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.47 1pls s PHE 69 Cb -0.13 -2.18 0.03 0.00 -0.63 0.00 0.00 43.02 40.11 1pls s PHE 69 CO -0.00 -0.20 -0.10 0.21 -0.05 0.00 0.00 175.22 175.07 1pls s LYS 70 N -4.26 1.97 0.35 1.99 2.36 -0.62 -2.15 119.74 119.39 1pls s LYS 70 Ca 0.50 -0.65 0.06 0.00 -2.55 0.00 0.00 55.97 53.33 1pls s LYS 70 Cb -0.10 -2.18 -0.01 0.00 -1.05 0.00 0.00 37.83 34.50 1pls s LYS 70 CO 0.32 -0.35 0.50 0.42 1.55 0.00 0.00 175.35 177.78 1pls s ILE 71 N 1.49 3.92 -0.25 5.43 1.01 -0.88 -0.36 121.20 131.57 1pls s ILE 71 Ca 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1pls s ILE 71 Cb -0.15 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.06 1pls s ILE 71 CO -0.09 -0.15 0.17 -0.89 0.00 0.00 0.00 174.94 173.98 1pls s THR 72 N -2.23 -0.18 -0.37 2.92 2.01 -0.44 -1.21 115.64 116.15 1pls s THR 72 Ca 0.47 -0.47 -0.32 0.00 0.31 0.00 0.00 61.69 61.67 1pls s THR 72 Cb -0.10 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.47 1pls s THR 72 CO 0.32 -0.50 2.25 0.35 -0.69 0.00 0.00 174.62 176.36 1pls n THR 73 N 5.28 0.18 -2.09 -0.82 -2.24 -0.40 0.29 114.28 114.47 1pls n THR 73 Ca -0.05 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 1pls n THR 73 Cb 0.46 -1.92 -0.01 0.00 -2.10 0.00 0.00 70.33 66.76 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 7.44 -0.11 -2.29 4.28 5.66 -0.47 0.50 114.28 129.28 1pls n THR 74 Ca 0.40 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 1pls n THR 74 Cb 0.30 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.20 0.00 0.00 1.09 4.81 -0.72 -4.92 118.16 116.22 1pls n LYS 75 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1pls n LYS 75 Cb 0.41 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.05 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 -0.60 0.00 -3.26 1.64 7.27 0.18 -5.08 117.38 117.54 1pls n GLN 76 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1pls n GLN 76 Cb 0.48 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.08 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1pls s GLN 77 N -0.11 4.29 0.19 3.69 -0.21 -1.25 -4.82 119.66 121.43 1pls s GLN 77 Ca 0.00 0.64 -0.04 0.00 0.02 0.00 0.00 55.36 55.98 1pls s GLN 77 Cb 0.00 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 1pls s GLN 77 CO 0.00 0.33 0.42 0.16 -2.12 0.00 0.00 175.29 174.08 1pls s ASP 78 N -0.03 6.46 -0.24 5.90 1.47 -1.26 -1.27 116.67 127.70 1pls s ASP 78 Ca 0.29 0.56 -0.04 0.00 1.18 0.00 0.00 52.55 54.55 1pls s ASP 78 Cb -0.17 -2.08 0.09 0.00 -0.34 0.00 0.00 42.92 40.42 1pls s ASP 78 CO 0.15 -0.02 0.16 -1.00 0.68 0.00 0.00 175.17 175.14 1pls s HIS 79 N -1.80 0.06 -0.45 2.11 3.76 -0.35 -4.91 115.29 113.71 1pls s HIS 79 Ca 0.41 -0.41 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 1pls s HIS 79 Cb -0.11 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 32.93 1pls s HIS 79 CO 0.27 -0.71 0.59 -0.06 -0.85 0.00 0.00 174.74 173.98 1pls s PHE 80 N 2.19 3.08 0.05 1.40 0.40 -1.26 -2.07 117.98 121.78 1pls s PHE 80 Ca 0.07 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.24 1pls s PHE 80 Cb -0.16 -3.28 -0.03 0.00 0.51 0.00 0.00 43.02 40.06 1pls s PHE 80 CO -0.24 -0.87 -0.23 -0.59 0.70 0.00 0.00 175.22 173.99 1pls s PHE 81 N 2.62 2.42 -0.07 0.36 -0.71 -0.91 -1.41 117.98 120.27 1pls s PHE 81 Ca 0.18 -0.35 0.05 0.00 -1.04 0.00 0.00 56.93 55.77 1pls s PHE 81 Cb -0.16 -1.41 -0.01 0.00 -1.21 0.00 0.00 43.02 40.23 1pls s PHE 81 CO 0.16 0.19 -0.23 -1.14 -1.34 0.00 0.00 175.22 172.86 1pls s GLN 82 N -1.36 2.74 0.00 1.99 -0.44 -0.44 -1.87 119.66 120.29 1pls s GLN 82 Ca 0.13 -0.86 0.00 0.00 -2.50 0.00 0.00 55.36 52.13 1pls s GLN 82 Cb -0.10 -2.26 0.00 0.00 -1.64 0.00 0.00 33.01 29.01 1pls s GLN 82 CO 0.03 0.34 0.00 0.00 0.50 0.00 0.00 175.29 176.16 1pls n ALA 83 N 3.08 0.00 0.84 1.58 0.00 -0.86 -2.28 120.51 122.87 1pls n ALA 83 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1pls n ALA 83 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 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 4.33 0.00 0.00 0.00 -1.26 -4.84 120.51 115.74 1pls n ALA 84 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1pls n ALA 84 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1pls n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pls n PHE 85 N -1.43 0.00 -0.21 0.00 1.16 -1.26 -5.00 117.46 110.72 1pls n PHE 85 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1pls n PHE 85 Cb 0.28 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.21 1pls n PHE 85 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1pls h LEU 86 N 0.00 -0.60 0.00 5.98 6.46 -1.96 0.98 115.31 126.16 1pls h LEU 86 Ca 0.00 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1pls h LEU 86 Cb 0.00 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1pls h LEU 86 CO 0.00 -0.21 0.00 1.21 -0.62 0.00 0.00 178.44 178.82 1pls n GLU 87 N -5.43 0.00 0.15 1.25 2.13 -1.26 0.01 120.64 117.49 1pls n GLU 87 Ca 0.07 0.71 0.10 0.00 0.66 0.00 0.00 57.16 58.70 1pls n GLU 87 Cb 0.33 -1.33 0.55 0.00 0.27 0.00 0.00 31.44 31.25 1pls n GLU 87 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pls n GLU 88 N -2.12 0.13 -0.05 5.31 1.02 -1.09 -1.64 120.64 122.20 1pls n GLU 88 Ca 0.00 0.62 -0.14 0.00 -0.02 0.00 0.00 57.16 57.62 1pls n GLU 88 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 31.44 29.48 1pls n GLU 88 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1pls h ARG 89 N 0.00 0.77 0.00 3.49 2.43 0.22 -0.94 114.38 120.36 1pls h ARG 89 Ca 0.00 -0.51 -0.20 0.00 -0.81 0.00 0.00 59.98 58.46 1pls h ARG 89 Cb 0.02 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1pls h ARG 89 CO 0.00 1.14 -1.18 -0.44 -1.51 0.00 0.00 179.97 177.98 1pls h ASP 90 N 0.58 0.00 0.88 -3.80 5.19 -0.20 -2.48 116.42 116.59 1pls h ASP 90 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1pls h ASP 90 Cb 1.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1pls h ASP 90 CO 0.12 0.79 -0.78 0.00 -3.12 0.00 0.00 179.24 176.26 1pls h ALA 91 N 1.21 0.66 0.15 3.45 0.00 -1.45 -0.85 119.26 122.43 1pls h ALA 91 Ca -0.12 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 53.80 1pls h ALA 91 Cb 1.71 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1pls h ALA 91 CO 0.08 0.97 -1.39 -1.49 0.00 0.00 0.00 179.25 177.42 1pls h TRP 92 N 0.00 0.57 0.00 0.00 4.06 -1.25 -2.58 115.95 116.75 1pls h TRP 92 Ca -0.01 -0.42 -0.12 0.00 2.06 0.00 0.00 58.89 60.41 1pls h TRP 92 Cb 1.43 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.55 1pls h TRP 92 CO 0.00 1.54 -0.56 -0.24 -3.56 0.00 0.00 178.44 175.62 1pls h VAL 93 N -0.19 1.33 0.10 1.49 3.04 -1.52 -1.58 116.25 118.93 1pls h VAL 93 Ca -0.28 -1.97 -0.26 0.00 -1.01 0.00 0.00 66.70 63.18 1pls h VAL 93 Cb 1.85 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 33.22 1pls h VAL 93 CO 0.12 0.55 -1.16 0.08 -1.01 0.00 0.00 177.57 176.15 1pls h ARG 94 N 0.00 0.29 0.10 4.17 0.11 -1.26 -2.61 114.38 115.18 1pls h ARG 94 Ca -0.01 -0.44 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 1pls h ARG 94 Cb 1.04 0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1pls h ARG 94 CO 0.07 1.18 -0.05 0.22 0.10 0.00 0.00 179.97 181.50 1pls h ASP 95 N 0.10 -0.11 -0.78 0.08 3.58 -1.38 0.27 116.42 118.18 1pls h ASP 95 Ca -0.12 -0.43 0.12 0.00 0.42 0.00 0.00 57.03 57.02 1pls h ASP 95 Cb 1.87 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.89 1pls h ASP 95 CO 0.19 0.53 0.51 0.40 -2.88 0.00 0.00 179.24 177.99 1pls h ILE 96 N -0.91 0.88 0.00 2.25 2.04 -1.43 0.34 117.51 120.68 1pls h ILE 96 Ca -0.01 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1pls h ILE 96 Cb 0.54 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1pls h ILE 96 CO 0.02 0.11 -0.46 -1.13 0.00 0.00 0.00 178.15 176.69 1pls h ASN 97 N 0.62 0.00 0.44 1.72 -1.24 -1.48 -2.60 115.58 113.04 1pls h ASN 97 Ca 0.37 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.36 1pls h ASN 97 Cb 0.60 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1pls h ASN 97 CO -0.14 0.46 -0.21 0.50 -1.29 0.00 0.00 177.43 176.75 1pls h LYS 98 N 0.00 -0.57 -0.71 6.67 1.63 0.33 -0.23 116.57 123.70 1pls h LYS 98 Ca -0.00 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.93 1pls h LYS 98 Cb 1.34 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 33.05 1pls h LYS 98 CO 0.06 -0.38 0.47 0.00 -3.45 0.00 0.00 179.45 176.15 1pls h ALA 99 N -1.47 1.85 -0.50 5.00 0.00 -1.37 0.21 119.26 122.98 1pls h ALA 99 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pls h ALA 99 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pls h ALA 99 CO 0.10 0.00 0.20 0.82 0.00 0.00 0.00 179.25 180.37 1pls h ILE 100 N 0.61 1.19 -0.00 0.00 2.04 -1.38 -0.16 117.51 119.81 1pls h ILE 100 Ca 0.32 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1pls h ILE 100 Cb 0.46 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1pls h ILE 100 CO -0.11 0.23 -0.17 0.29 0.00 0.00 0.00 178.15 178.40 1pls n LYS 101 N -4.34 0.20 -0.03 2.37 5.02 0.57 -3.42 118.16 118.53 1pls n LYS 101 Ca 0.04 -0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 1pls n LYS 101 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.86 0.00 -4.07 0.00 2.08 -0.26 -4.87 119.36 109.37 1pls n ILE 103 Ca -0.18 0.12 -0.31 0.00 0.56 0.00 0.00 62.75 62.94 1pls n ILE 103 Cb 0.98 -0.27 -0.06 0.00 -0.75 0.00 0.00 39.64 39.54 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 -0.63 -0.79 -1.81 0.38 1.02 -1.22 -3.34 120.64 114.26 1pls n GLU 104 Ca 0.00 0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1pls n GLU 104 Cb 0.00 -2.83 -0.00 0.00 -0.02 0.00 0.00 31.44 28.59 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 -2.28 -3.32 2.58 0.62 0.00 -1.26 -5.05 105.19 96.48 1pls n GLY 105 Ca -0.24 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.27 -1.70 -3.59 0.99 -0.00 -1.21 -5.01 117.00 106.74 1pls n LEU 106 Ca -0.03 -3.91 -0.39 0.00 -0.00 0.00 0.00 56.01 51.68 1pls n LEU 106 Cb 0.05 0.83 0.01 0.00 -0.00 0.00 0.00 43.42 44.31 1pls n LEU 106 CO 0.11 2.08 1.14 -0.62 -0.00 0.00 0.00 177.39 180.11 1pls n GLU 107 N 0.94 4.84 -1.39 1.96 1.02 -1.26 -5.02 120.64 121.72 1pls n GLU 107 Ca 0.12 -4.68 0.18 0.00 -0.02 0.00 0.00 57.16 52.76 1pls n GLU 107 Cb 0.65 -2.43 -0.06 0.00 -0.02 0.00 0.00 31.44 29.57 1pls n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pls n HIS 108 N 0.18 -3.51 -2.76 -0.32 8.25 -1.26 -4.94 115.22 110.86 1pls n HIS 108 Ca 0.40 1.83 -0.03 0.00 -0.26 0.00 0.00 57.72 59.66 1pls n HIS 108 Cb 0.30 -3.19 0.00 0.00 1.12 0.00 0.00 29.99 28.22 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pls n HIS 109 N -4.14 -2.80 -1.70 4.41 -0.00 -1.26 -4.78 115.22 104.94 1pls n HIS 109 Ca -0.03 1.10 -0.56 0.00 -0.00 0.00 0.00 57.72 58.23 1pls n HIS 109 Cb 0.67 -3.76 -0.07 0.00 -0.00 0.00 0.00 29.99 26.83 1pls n HIS 109 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1pls n HIS 110 N -1.02 2.07 -2.67 4.41 1.44 -1.26 -4.55 115.22 113.64 1pls n HIS 110 Ca 0.05 0.47 0.02 0.00 -2.01 0.00 0.00 57.72 56.25 1pls n HIS 110 Cb 0.45 -2.48 -0.01 0.00 0.12 0.00 0.00 29.99 28.07 1pls n HIS 110 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1pls n HIS 111 N 5.43 -1.91 -3.32 -1.40 -0.00 -1.26 -4.88 115.22 107.88 1pls n HIS 111 Ca 0.26 0.23 -0.28 0.00 -0.00 0.00 0.00 57.72 57.93 1pls n HIS 111 Cb 0.15 -0.27 0.03 0.00 -0.00 0.00 0.00 29.99 29.90 1pls n HIS 111 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pls n HIS 112 N -1.57 -2.61 0.74 4.41 8.25 -1.26 -5.13 115.22 118.05 1pls n HIS 112 Ca 0.00 1.09 0.09 0.00 -0.26 0.00 0.00 57.72 58.64 1pls n HIS 112 Cb 0.08 -2.22 0.07 0.00 1.12 0.00 0.00 29.99 29.04 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56