#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 0.93 1.02 0.03 0.41 -1.26 -4.95 118.70 114.88 1pls s GLU 2 Ca 0.00 1.19 -0.16 0.00 -0.41 0.00 0.00 54.97 55.59 1pls s GLU 2 Cb 0.00 -1.74 0.04 0.00 -1.78 0.00 0.00 34.13 30.65 1pls s GLU 2 CO 0.00 -2.57 0.09 -2.30 -0.49 0.00 0.00 175.26 169.99 1pls n PRO 3 N -4.16 -0.75 -3.09 0.39 -0.02 -1.26 -4.99 135.00 121.12 1pls n PRO 3 Ca 0.09 -0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.19 1pls n PRO 3 Cb 0.53 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.38 0.58 -3.70 -0.52 5.02 -1.26 -5.12 118.16 111.79 1pls n LYS 4 Ca 0.03 -2.76 -0.34 0.00 -2.02 0.00 0.00 58.31 53.23 1pls n LYS 4 Cb 0.58 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1pls n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pls s ARG 5 N -0.26 3.63 -0.06 1.97 3.00 -1.26 -4.72 118.95 121.25 1pls s ARG 5 Ca 0.33 -0.02 -0.24 0.00 0.00 0.00 0.00 55.73 55.80 1pls s ARG 5 Cb 0.13 -3.01 -0.27 0.00 0.00 0.00 0.00 34.95 31.80 1pls s ARG 5 CO -0.15 0.59 0.94 0.82 0.00 0.00 0.00 175.30 177.49 1pls h ILE 6 N 2.76 1.57 -4.11 1.52 2.04 -1.82 -3.46 117.51 116.00 1pls h ILE 6 Ca -0.49 -2.28 -0.51 0.00 1.00 0.00 0.00 64.86 62.59 1pls h ILE 6 Cb 1.19 3.04 -0.30 0.00 -0.74 0.00 0.00 36.82 40.01 1pls h ILE 6 CO 0.68 0.63 -0.82 -0.13 0.00 0.00 0.00 178.15 178.51 1pls s ARG 7 N -2.69 1.31 -0.22 2.37 1.81 -0.96 -5.02 118.95 115.55 1pls s ARG 7 Ca -0.15 -0.52 -0.16 0.00 -1.72 0.00 0.00 55.73 53.18 1pls s ARG 7 Cb 0.00 -1.23 0.06 0.00 -0.45 0.00 0.00 34.95 33.34 1pls s ARG 7 CO 0.78 0.28 0.57 -1.83 -0.68 0.00 0.00 175.30 174.42 1pls s GLU 8 N -0.20 0.61 0.00 3.54 1.03 -1.26 -0.00 118.70 122.41 1pls s GLU 8 Ca 0.03 0.94 0.00 0.00 0.03 0.00 0.00 54.97 55.96 1pls s GLU 8 Cb -0.07 0.17 0.00 0.00 -0.80 0.00 0.00 34.13 33.42 1pls s GLU 8 CO 0.00 -0.13 0.00 0.41 -1.33 0.00 0.00 175.26 174.22 1pls n GLY 9 N 3.70 3.00 2.71 -3.83 0.00 -0.60 -4.99 105.19 105.18 1pls n GLY 9 Ca -0.18 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.54 1.72 0.46 1.61 -0.85 -1.26 -2.31 117.35 116.18 1pls s TYR 10 Ca 0.00 -1.90 0.07 0.00 -0.52 0.00 0.00 57.07 54.72 1pls s TYR 10 Cb 0.00 -1.72 -0.01 0.00 0.38 0.00 0.00 41.96 40.62 1pls s TYR 10 CO 0.00 -0.85 0.37 -0.51 -1.52 0.00 0.00 175.55 173.03 1pls s LEU 11 N 1.29 3.14 -0.15 -3.49 1.02 -0.49 -4.78 118.68 115.21 1pls s LEU 11 Ca 0.12 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.34 1pls s LEU 11 Cb -0.19 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.33 1pls s LEU 11 CO -0.18 -0.79 -0.18 0.54 0.02 0.00 0.00 176.35 175.77 1pls s VAL 12 N -2.59 2.43 0.32 -1.59 0.11 -0.93 0.68 120.40 118.84 1pls s VAL 12 Ca 0.44 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1pls s VAL 12 Cb -0.02 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 1pls s VAL 12 CO 0.25 0.53 0.51 -0.54 -3.33 0.00 0.00 175.10 172.52 1pls s LYS 13 N 0.81 3.48 -0.84 1.54 -0.14 -0.95 -1.31 119.74 122.33 1pls s LYS 13 Ca -0.06 -0.42 -0.22 0.00 -1.36 0.00 0.00 55.97 53.91 1pls s LYS 13 Cb -0.15 -2.71 0.08 0.00 -1.68 0.00 0.00 37.83 33.37 1pls s LYS 13 CO -0.01 0.21 1.16 0.21 -0.76 0.00 0.00 175.35 176.16 1pls s LYS 14 N -4.23 3.39 0.28 1.68 2.20 -1.02 -2.43 119.74 119.60 1pls s LYS 14 Ca 0.39 -1.15 -0.27 0.00 -0.36 0.00 0.00 55.97 54.58 1pls s LYS 14 Cb -0.09 -4.70 -0.15 0.00 -1.51 0.00 0.00 37.83 31.38 1pls s LYS 14 CO 0.34 -1.92 0.68 0.41 -0.36 0.00 0.00 175.35 174.50 1pls n GLY 15 N 5.72 -1.22 3.39 5.54 0.00 -0.57 -4.79 105.19 113.25 1pls n GLY 15 Ca 0.14 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1pls n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pls s SER 16 N -0.83 5.95 0.00 1.61 0.15 -1.26 -3.30 113.70 116.01 1pls s SER 16 Ca 0.62 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1pls s SER 16 Cb -0.78 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 1pls s SER 16 CO 0.58 -0.50 0.00 0.55 1.20 0.00 0.00 173.24 175.08 1pls n VAL 17 N 5.09 0.00 -2.37 4.45 3.14 -1.26 -4.98 118.33 122.40 1pls n VAL 17 Ca -0.11 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.24 1pls n VAL 17 Cb 0.45 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.28 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1pls n PHE 18 N 0.00 -0.96 -3.22 1.45 3.72 -1.26 -5.02 117.46 112.17 1pls n PHE 18 Ca 0.00 -0.89 -0.07 0.00 -0.05 0.00 0.00 57.45 56.44 1pls n PHE 18 Cb 0.00 0.98 0.01 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.72 -7.14 -4.66 4.37 3.02 -1.26 -5.02 115.26 103.86 1pls n ASN 19 Ca -0.14 -0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 53.82 1pls n ASN 19 Cb 0.69 -4.72 -0.10 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.07 2.12 -0.29 3.41 -4.23 -1.21 -5.00 115.64 107.37 1pls s THR 20 Ca 0.08 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1pls s THR 20 Cb -0.02 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.98 1pls s THR 20 CO 0.77 -0.01 0.32 0.26 -0.54 0.00 0.00 174.62 175.42 1pls s TRP 21 N -2.67 -0.56 -0.05 3.99 0.52 -1.26 -1.51 118.94 117.39 1pls s TRP 21 Ca 0.37 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.49 1pls s TRP 21 Cb 0.08 -0.40 -0.01 0.00 -1.15 0.00 0.00 33.47 31.98 1pls s TRP 21 CO 0.19 -0.92 -0.23 0.15 0.02 0.00 0.00 176.95 176.16 1pls s LYS 22 N 2.40 2.52 1.18 4.98 1.02 -1.02 -4.94 119.74 125.88 1pls s LYS 22 Ca 0.09 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 1pls s LYS 22 Cb -0.14 -2.20 0.23 0.00 -0.52 0.00 0.00 37.83 35.21 1pls s LYS 22 CO -0.32 0.43 0.49 -2.30 -0.92 0.00 0.00 175.35 172.73 1pls n PRO 23 N 2.82 -2.96 0.00 -1.68 -0.02 -1.26 -2.23 135.00 129.66 1pls n PRO 23 Ca -0.17 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 1pls n PRO 23 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -3.29 0.00 -3.33 -0.52 0.00 0.21 -4.63 117.12 105.57 1pls n MET 24 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.43 1pls n MET 24 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.65 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 3.54 -0.15 3.17 -0.11 0.52 -1.40 118.94 122.51 1pls s TRP 25 Ca 0.00 1.06 -0.10 0.00 1.22 0.00 0.00 56.10 58.28 1pls s TRP 25 Cb 0.00 -2.38 0.05 0.00 -1.50 0.00 0.00 33.47 29.64 1pls s TRP 25 CO 0.00 0.35 0.37 0.54 -4.62 0.00 0.00 176.95 173.59 1pls s VAL 26 N -1.61 -0.02 -0.34 5.86 0.11 -0.98 0.35 120.40 123.78 1pls s VAL 26 Ca 0.42 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1pls s VAL 26 Cb -0.14 -0.54 0.10 0.00 -1.53 0.00 0.00 36.38 34.28 1pls s VAL 26 CO 0.20 0.02 0.11 0.68 -3.33 0.00 0.00 175.10 172.78 1pls s VAL 27 N 0.87 1.29 -0.12 2.04 -7.23 -0.76 -1.55 120.40 114.94 1pls s VAL 27 Ca -0.05 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1pls s VAL 27 Cb -0.06 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1pls s VAL 27 CO -0.07 -0.69 1.12 -1.48 -0.31 0.00 0.00 175.10 173.68 1pls s LEU 28 N 1.27 4.22 0.34 1.32 0.05 0.99 -2.31 118.68 124.57 1pls s LEU 28 Ca 0.11 1.64 0.08 0.00 0.05 0.00 0.00 54.13 56.01 1pls s LEU 28 Cb -0.19 -3.55 -0.04 0.00 -2.05 0.00 0.00 46.19 40.37 1pls s LEU 28 CO -0.18 -0.58 0.21 -0.76 -0.55 0.00 0.00 176.35 174.48 1pls s LEU 29 N 2.52 3.40 0.00 1.48 1.02 -0.20 -2.25 118.68 124.65 1pls s LEU 29 Ca 0.51 -0.66 0.22 0.00 0.02 0.00 0.00 54.13 54.22 1pls s LEU 29 Cb -0.21 -1.93 0.96 0.00 0.02 0.00 0.00 46.19 45.03 1pls s LEU 29 CO 0.17 -0.33 1.70 1.21 0.02 0.00 0.00 176.35 179.12 1pls n GLU 30 N -1.25 0.05 -0.12 1.70 0.00 -1.26 -2.34 120.64 117.43 1pls n GLU 30 Ca -0.02 0.12 0.05 0.00 0.00 0.00 0.00 57.16 57.30 1pls n GLU 30 Cb 0.61 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.65 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1pls n ASP 31 N -1.46 2.56 0.00 4.31 5.68 -1.26 -4.79 116.55 121.59 1pls n ASP 31 Ca 0.06 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1pls n ASP 31 Cb 0.24 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 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 0.38 4.52 3.52 6.12 0.00 -0.99 -4.62 105.19 114.13 1pls n GLY 32 Ca 0.09 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.71 4.80 -0.16 -0.61 1.09 -0.61 -1.03 121.20 122.97 1pls s ILE 33 Ca 0.00 -0.00 0.02 0.00 -1.10 0.00 0.00 60.65 59.56 1pls s ILE 33 Cb 0.00 -3.26 0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1pls s ILE 33 CO 0.00 0.31 -0.21 -1.83 -0.10 0.00 0.00 174.94 173.11 1pls s GLU 34 N 1.61 2.99 -0.00 2.79 -1.05 -0.98 0.06 118.70 124.12 1pls s GLU 34 Ca 0.07 -0.84 0.06 0.00 -0.15 0.00 0.00 54.97 54.11 1pls s GLU 34 Cb -0.15 -2.51 -0.02 0.00 -0.44 0.00 0.00 34.13 31.01 1pls s GLU 34 CO 0.07 -0.13 -0.19 -0.59 0.95 0.00 0.00 175.26 175.36 1pls s PHE 35 N 1.11 1.69 0.00 4.83 -0.12 -0.99 -1.83 117.98 122.68 1pls s PHE 35 Ca 0.00 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1pls s PHE 35 Cb -0.14 -1.07 0.00 0.00 -0.63 0.00 0.00 43.02 41.18 1pls s PHE 35 CO -0.09 -0.00 0.00 0.66 -0.05 0.00 0.00 175.22 175.74 1pls n TYR 36 N 2.43 0.00 -0.12 3.49 4.02 0.15 -2.44 117.16 124.70 1pls n TYR 36 Ca -0.15 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.56 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 1.63 -1.01 0.00 0.00 176.86 177.48 1pls n LYS 37 N 0.00 0.66 -4.26 -0.72 4.76 -1.26 -0.36 118.16 116.98 1pls n LYS 37 Ca 0.00 0.15 -0.28 0.00 -2.87 0.00 0.00 58.31 55.31 1pls n LYS 37 Cb 0.00 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 31.60 1pls n LYS 37 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1pls n LYS 38 N -3.24 0.93 -0.54 1.97 3.00 -1.26 -0.89 118.16 118.13 1pls n LYS 38 Ca -0.44 -3.18 0.45 0.00 -0.00 0.00 0.00 58.31 55.15 1pls n LYS 38 Cb 1.01 0.82 0.78 0.00 0.00 0.00 0.00 35.03 37.64 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1pls h LYS 39 N 0.00 0.02 -0.18 1.64 1.63 -1.93 -3.21 116.57 114.53 1pls h LYS 39 Ca -0.36 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.29 1pls h LYS 39 Cb 1.10 -0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.58 1pls h LYS 39 CO 0.60 0.01 -0.36 0.43 -3.45 0.00 0.00 179.45 176.68 1pls n SER 40 N -4.12 -2.51 0.30 4.20 7.64 -1.26 -4.95 113.62 112.92 1pls n SER 40 Ca 0.37 -2.69 0.12 0.00 1.01 0.00 0.00 58.87 57.67 1pls n SER 40 Cb 1.68 1.47 0.62 0.00 -1.01 0.00 0.00 64.21 66.97 1pls n SER 40 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1pls h ASP 41 N 3.98 0.00 0.00 6.43 3.58 -1.92 -3.43 116.42 125.07 1pls h ASP 41 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1pls h ASP 41 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1pls h ASP 41 CO 0.12 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.28 1pls n ASN 42 N -2.65 0.00 -3.87 2.28 2.85 -1.26 -4.96 115.26 107.64 1pls n ASN 42 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 1pls n ASN 42 Cb 0.44 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.31 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1pls s SER 43 N -1.26 3.88 0.21 1.20 0.15 -1.26 -5.10 113.70 111.51 1pls s SER 43 Ca 0.00 -1.37 -0.30 0.00 0.70 0.00 0.00 55.95 54.98 1pls s SER 43 Cb 0.00 -1.08 -0.09 0.00 -1.71 0.00 0.00 66.02 63.14 1pls s SER 43 CO 0.00 -0.31 1.34 -2.16 1.20 0.00 0.00 173.24 173.31 1pls s PRO 44 N 1.45 4.36 0.06 5.44 0.04 -1.26 -4.69 135.00 140.41 1pls s PRO 44 Ca 0.01 2.10 0.17 0.00 0.04 0.00 0.00 61.00 63.32 1pls s PRO 44 Cb -0.18 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.05 1pls s PRO 44 CO -0.11 -0.29 0.83 -0.22 0.04 0.00 0.00 177.00 177.25 1pls h LYS 45 N 5.35 0.00 -1.72 4.56 3.64 -1.82 -3.48 116.57 123.09 1pls h LYS 45 Ca -0.45 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1pls h LYS 45 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1pls h LYS 45 CO 0.78 0.29 0.38 0.20 -2.27 0.00 0.00 179.45 178.83 1pls s GLY 46 N -4.79 -0.33 0.00 5.01 0.00 -1.23 -5.08 107.32 100.90 1pls s GLY 46 Ca -0.03 2.12 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1pls s GLY 46 CO 0.81 1.40 0.00 1.03 0.00 0.00 0.00 173.10 176.35 1pls n MET 47 N 1.58 1.30 -3.41 2.90 0.00 -1.26 -2.33 117.12 115.90 1pls n MET 47 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.46 1pls n MET 47 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.70 1pls n MET 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1pls s ILE 48 N -1.20 -0.56 0.15 2.02 1.01 0.11 -4.91 121.20 117.82 1pls s ILE 48 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 1pls s ILE 48 Cb 0.00 -0.77 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 1pls s ILE 48 CO 0.00 -0.11 1.40 -2.16 0.00 0.00 0.00 174.94 174.07 1pls s PRO 49 N 2.52 4.32 -0.15 2.79 0.04 -1.26 -1.58 135.00 141.67 1pls s PRO 49 Ca 0.10 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1pls s PRO 49 Cb -0.15 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.25 1pls s PRO 49 CO -0.15 -0.42 2.16 1.28 0.04 0.00 0.00 177.00 179.91 1pls n LEU 50 N 3.55 5.86 -0.12 -3.56 4.32 -1.26 -4.05 117.00 121.75 1pls n LEU 50 Ca 0.10 -2.92 -0.18 0.00 -0.02 0.00 0.00 56.01 52.99 1pls n LEU 50 Cb 0.42 -1.13 -0.12 0.00 -1.62 0.00 0.00 43.42 40.97 1pls n LEU 50 CO 0.59 1.18 -1.30 1.17 -1.22 0.00 0.00 177.39 177.81 1pls n LYS 51 N 1.06 0.66 -2.67 3.23 4.81 -1.26 -4.40 118.16 119.60 1pls n LYS 51 Ca 0.18 0.16 -0.04 0.00 -0.87 0.00 0.00 58.31 57.74 1pls n LYS 51 Cb 0.56 -1.54 0.05 0.00 0.02 0.00 0.00 35.03 34.13 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pls n GLY 52 N 2.23 -1.77 3.88 3.14 0.00 -1.26 -4.80 105.19 106.60 1pls n GLY 52 Ca -0.45 1.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 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 0.52 5.35 0.44 1.61 0.01 -1.26 0.10 113.70 120.46 1pls s SER 53 Ca 0.24 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1pls s SER 53 Cb 0.16 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1pls s SER 53 CO -0.10 -0.41 0.16 0.28 0.41 0.00 0.00 173.24 173.58 1pls s THR 54 N -2.31 2.07 -0.09 1.44 -1.32 -0.12 -4.81 115.64 110.49 1pls s THR 54 Ca 0.43 -1.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 1pls s THR 54 Cb -0.06 -2.82 0.05 0.00 -1.51 0.00 0.00 72.50 68.15 1pls s THR 54 CO 0.27 0.00 0.16 -0.22 -2.21 0.00 0.00 174.62 172.63 1pls s LEU 55 N -3.91 -0.08 -0.06 9.08 1.98 -1.26 -1.86 118.68 122.58 1pls s LEU 55 Ca 0.36 0.32 0.03 0.00 -2.89 0.00 0.00 54.13 51.95 1pls s LEU 55 Cb 0.04 0.29 -0.02 0.00 0.66 0.00 0.00 46.19 47.15 1pls s LEU 55 CO 0.20 -0.25 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.37 1pls s THR 56 N 2.30 3.01 -0.19 3.68 2.01 0.01 -4.94 115.64 121.53 1pls s THR 56 Ca 0.03 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 1pls s THR 56 Cb -0.12 -2.18 0.09 0.00 0.01 0.00 0.00 72.50 70.30 1pls s THR 56 CO -0.06 0.59 0.37 -0.44 -0.69 0.00 0.00 174.62 174.38 1pls s SER 57 N -0.63 0.02 0.01 3.53 0.01 -1.26 -1.57 113.70 113.80 1pls s SER 57 Ca 0.09 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1pls s SER 57 Cb -0.11 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.24 1pls s SER 57 CO 0.01 -0.25 0.00 -0.81 0.41 0.00 0.00 173.24 172.60 1pls n PRO 58 N 5.37 0.99 0.00 12.44 -0.04 -1.26 -5.12 135.00 147.39 1pls n PRO 58 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1pls n PRO 58 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls n GLN 60 N -1.28 1.18 -0.11 0.00 7.27 -1.26 -4.95 117.38 118.22 1pls n GLN 60 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1pls n GLN 60 Cb 0.00 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.71 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1pls n ASP 61 N 0.00 1.19 -4.47 1.69 2.03 -1.26 -4.36 116.55 111.38 1pls n ASP 61 Ca 0.00 -2.07 -0.44 0.00 0.52 0.00 0.00 54.79 52.80 1pls n ASP 61 Cb 0.00 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1pls n ASP 61 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pls s PHE 62 N -1.61 3.17 0.00 -0.67 0.08 -1.26 -3.84 117.98 113.85 1pls s PHE 62 Ca 0.09 -1.57 0.00 0.00 0.12 0.00 0.00 56.93 55.57 1pls s PHE 62 Cb 0.06 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1pls s PHE 62 CO 0.05 -1.51 0.00 0.41 -0.10 0.00 0.00 175.22 174.07 1pls n GLY 63 N 5.20 0.88 2.94 4.36 0.00 -1.26 -4.75 105.19 112.57 1pls n GLY 63 Ca 0.29 -0.37 -0.54 0.00 0.00 0.00 0.00 46.02 45.40 1pls n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pls n LYS 64 N -0.35 0.00 0.00 1.61 2.85 -1.25 -4.15 118.16 116.87 1pls n LYS 64 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1pls n LYS 64 Cb 0.29 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1pls n ARG 65 N 6.20 0.00 0.00 -1.58 0.00 -1.26 -5.02 116.66 115.00 1pls n ARG 65 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 1pls n ARG 65 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.42 1pls n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pls n MET 66 N 0.00 0.00 0.33 -0.14 0.00 -1.26 -4.83 117.12 111.21 1pls n MET 66 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.70 57.90 1pls n MET 66 Cb 0.00 0.00 1.12 0.00 0.00 0.00 0.00 33.22 34.34 1pls n MET 66 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 1pls h PHE 67 N 0.00 0.00 -3.28 3.17 0.04 -1.84 -3.37 116.94 111.65 1pls h PHE 67 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 1pls h PHE 67 Cb 0.00 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 37.97 1pls h PHE 67 CO 0.00 0.00 0.01 0.54 -0.60 0.00 0.00 178.31 178.26 1pls s VAL 68 N -4.31 4.91 0.44 -0.55 0.11 -1.26 -2.31 120.40 117.42 1pls s VAL 68 Ca -0.05 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1pls s VAL 68 Cb 0.14 -4.27 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1pls s VAL 68 CO 0.46 -0.76 0.59 0.72 -3.33 0.00 0.00 175.10 172.78 1pls s PHE 69 N 2.54 2.68 -0.25 1.54 -0.71 -0.66 -1.93 117.98 121.19 1pls s PHE 69 Ca 0.14 -0.43 -0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1pls s PHE 69 Cb -0.19 -2.37 0.09 0.00 -1.21 0.00 0.00 43.02 39.34 1pls s PHE 69 CO 0.12 -0.49 0.12 0.21 -1.34 0.00 0.00 175.22 173.84 1pls s LYS 70 N -4.38 0.15 0.52 1.99 2.36 -0.61 -2.40 119.74 117.37 1pls s LYS 70 Ca 0.56 -0.37 -0.02 0.00 -2.55 0.00 0.00 55.97 53.59 1pls s LYS 70 Cb -0.10 -1.36 0.01 0.00 -1.05 0.00 0.00 37.83 35.33 1pls s LYS 70 CO 0.34 -0.91 0.78 0.42 1.55 0.00 0.00 175.35 177.53 1pls s ILE 71 N 2.12 3.64 -0.37 5.43 1.01 -0.74 -0.81 121.20 131.49 1pls s ILE 71 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1pls s ILE 71 Cb -0.16 -3.39 0.15 0.00 0.01 0.00 0.00 42.46 39.07 1pls s ILE 71 CO -0.28 -0.32 0.27 -0.89 0.00 0.00 0.00 174.94 173.72 1pls s THR 72 N -2.76 0.08 0.97 2.92 2.01 -0.77 -1.56 115.64 116.53 1pls s THR 72 Ca 0.52 -1.78 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 1pls s THR 72 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1pls s THR 72 CO 0.41 -0.97 -0.10 0.35 -0.69 0.00 0.00 174.62 173.62 1pls n THR 73 N 3.80 0.00 0.14 -0.82 -2.24 -1.02 -0.95 114.28 113.19 1pls n THR 73 Ca 0.16 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1pls n THR 73 Cb 0.41 -0.37 0.45 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.17 1.25 -0.27 4.28 5.66 0.29 -0.77 114.28 121.54 1pls n THR 74 Ca 0.03 0.66 0.04 0.00 -3.05 0.00 0.00 64.05 61.73 1pls n THR 74 Cb 0.55 -1.66 0.26 0.00 -1.55 0.00 0.00 70.33 67.93 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 -2.08 3.54 -2.28 1.09 4.76 -1.26 -4.86 118.16 117.07 1pls n LYS 75 Ca -0.01 -2.10 -0.18 0.00 -2.87 0.00 0.00 58.31 53.15 1pls n LYS 75 Cb 0.03 -2.01 -0.01 0.00 -1.84 0.00 0.00 35.03 31.20 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1pls n GLN 76 N 0.37 -1.42 -3.03 1.97 -0.06 0.05 -4.93 117.38 110.34 1pls n GLN 76 Ca 0.19 0.89 -0.44 0.00 -2.00 0.00 0.00 57.00 55.64 1pls n GLN 76 Cb 0.90 -5.37 -0.04 0.00 -4.06 0.00 0.00 30.24 21.67 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1pls s GLN 77 N -4.79 3.15 0.23 3.69 1.11 -1.23 -4.87 119.66 116.94 1pls s GLN 77 Ca 0.00 -1.28 -0.30 0.00 0.01 0.00 0.00 55.36 53.79 1pls s GLN 77 Cb 0.00 -4.33 -0.09 0.00 -1.01 0.00 0.00 33.01 27.57 1pls s GLN 77 CO 0.00 -1.64 1.33 0.16 0.01 0.00 0.00 175.29 175.15 1pls s ASP 78 N 3.59 6.84 -0.32 5.90 1.47 -1.26 -2.45 116.67 130.44 1pls s ASP 78 Ca 0.17 2.49 -0.02 0.00 1.18 0.00 0.00 52.55 56.37 1pls s ASP 78 Cb -0.19 -2.62 0.12 0.00 -0.34 0.00 0.00 42.92 39.89 1pls s ASP 78 CO 0.05 -0.55 0.17 -1.00 0.68 0.00 0.00 175.17 174.51 1pls s HIS 79 N -0.11 0.48 -0.11 2.11 3.76 -0.60 -4.97 115.29 115.85 1pls s HIS 79 Ca 0.56 -1.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1pls s HIS 79 Cb -0.38 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 1pls s HIS 79 CO 0.41 -0.83 -0.05 -0.59 -0.85 0.00 0.00 174.74 172.83 1pls s PHE 80 N 1.66 2.99 0.10 1.40 -0.12 -1.26 -1.80 117.98 120.95 1pls s PHE 80 Ca 0.13 -0.12 -0.12 0.00 -0.05 0.00 0.00 56.93 56.77 1pls s PHE 80 Cb -0.19 -1.82 0.02 0.00 -0.63 0.00 0.00 43.02 40.39 1pls s PHE 80 CO -0.21 0.18 0.29 -0.59 -0.05 0.00 0.00 175.22 174.84 1pls s PHE 81 N -0.31 -0.02 -0.07 3.49 -0.12 -1.01 -2.43 117.98 117.51 1pls s PHE 81 Ca 0.05 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1pls s PHE 81 Cb -0.13 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1pls s PHE 81 CO 0.02 -0.60 -0.14 -1.14 -0.05 0.00 0.00 175.22 173.32 1pls s GLN 82 N -3.64 2.68 0.00 1.99 0.74 -0.43 -1.66 119.66 119.33 1pls s GLN 82 Ca 0.03 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1pls s GLN 82 Cb 0.03 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.71 1pls s GLN 82 CO -0.10 0.55 0.00 0.00 -0.55 0.00 0.00 175.29 175.18 1pls n ALA 83 N 2.54 0.00 0.08 1.58 0.00 -0.98 -2.18 120.51 121.54 1pls n ALA 83 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1pls n ALA 83 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 2.27 -3.83 0.00 0.00 -1.26 -4.83 120.51 109.86 1pls n ALA 84 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1pls n ALA 84 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.93 0.00 0.15 0.00 -0.12 -1.26 -5.03 117.98 110.80 1pls s PHE 85 Ca 0.01 -0.36 -0.06 0.00 -0.05 0.00 0.00 56.93 56.47 1pls s PHE 85 Cb 0.01 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 43.07 1pls s PHE 85 CO 0.06 -0.86 1.41 1.25 -0.05 0.00 0.00 175.22 177.02 1pls h LEU 86 N 2.00 0.69 -0.08 -1.99 6.46 -1.97 -1.14 115.31 119.28 1pls h LEU 86 Ca -0.27 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 1pls h LEU 86 Cb 1.22 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1pls h LEU 86 CO 0.32 1.18 0.05 -0.33 -0.62 0.00 0.00 178.44 179.05 1pls h GLU 87 N 0.42 0.11 -0.07 1.25 5.08 -1.99 -1.43 114.58 117.96 1pls h GLU 87 Ca -0.02 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1pls h GLU 87 Cb 1.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1pls h GLU 87 CO 0.13 0.08 -0.68 1.49 -1.00 0.00 0.00 179.01 179.04 1pls h GLU 88 N 0.10 0.29 -0.78 2.33 4.81 -1.96 -2.27 114.58 117.11 1pls h GLU 88 Ca 0.03 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1pls h GLU 88 Cb -0.00 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1pls h GLU 88 CO -0.01 0.86 0.36 0.07 -0.73 0.00 0.00 179.01 179.56 1pls h ARG 89 N 0.20 1.12 0.00 1.92 -0.00 -0.92 -0.30 114.38 116.41 1pls h ARG 89 Ca -0.02 -0.17 -0.00 0.00 -0.00 0.00 0.00 59.98 59.79 1pls h ARG 89 Cb 1.22 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.97 30.99 1pls h ARG 89 CO 0.11 0.88 -0.00 0.22 -0.00 0.00 0.00 179.97 181.17 1pls h ASP 90 N 1.11 0.00 1.11 0.08 3.58 -1.21 -1.66 116.42 119.44 1pls h ASP 90 Ca 0.27 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.59 1pls h ASP 90 Cb 0.13 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1pls h ASP 90 CO -0.03 0.00 -0.58 0.00 -2.88 0.00 0.00 179.24 175.75 1pls h ALA 91 N 2.00 0.73 0.15 -0.78 0.00 -0.62 -1.26 119.26 119.47 1pls h ALA 91 Ca -0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 1pls h ALA 91 Cb 0.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pls h ALA 91 CO 0.00 0.73 -1.68 -1.49 0.00 0.00 0.00 179.25 176.81 1pls h TRP 92 N 0.00 0.57 -0.23 0.00 4.06 -0.92 -2.58 115.95 116.85 1pls h TRP 92 Ca -0.01 -0.41 -0.17 0.00 2.06 0.00 0.00 58.89 60.36 1pls h TRP 92 Cb 1.30 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.43 1pls h TRP 92 CO 0.00 1.54 -0.56 -0.39 -3.56 0.00 0.00 178.44 175.48 1pls h VAL 93 N 0.09 1.30 0.02 1.49 -1.51 -1.31 -1.84 116.25 114.49 1pls h VAL 93 Ca -0.31 -1.78 -0.23 0.00 -1.23 0.00 0.00 66.70 63.15 1pls h VAL 93 Cb 2.06 1.72 -0.03 0.00 -2.13 0.00 0.00 31.29 32.92 1pls h VAL 93 CO 0.16 0.56 -1.11 0.08 -1.23 0.00 0.00 177.57 176.04 1pls h ARG 94 N 0.53 0.05 -0.05 5.19 0.11 -1.36 -2.24 114.38 116.61 1pls h ARG 94 Ca 0.01 -0.08 -0.22 0.00 0.10 0.00 0.00 59.98 59.79 1pls h ARG 94 Cb 1.13 0.03 0.02 0.00 1.11 0.00 0.00 29.97 32.25 1pls h ARG 94 CO 0.11 1.00 -0.82 0.22 0.10 0.00 0.00 179.97 180.58 1pls h ASP 95 N 0.01 0.80 0.52 0.08 1.82 -1.45 -0.66 116.42 117.53 1pls h ASP 95 Ca -0.06 -0.71 -0.19 0.00 -0.39 0.00 0.00 57.03 55.69 1pls h ASP 95 Cb 1.83 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 1pls h ASP 95 CO 0.14 1.40 -0.81 0.40 -1.61 0.00 0.00 179.24 178.75 1pls h ILE 96 N 0.28 1.46 -0.01 2.25 2.04 -1.44 -1.83 117.51 120.27 1pls h ILE 96 Ca -0.09 -2.46 -0.18 0.00 1.00 0.00 0.00 64.86 63.13 1pls h ILE 96 Cb 1.48 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1pls h ILE 96 CO 0.16 0.72 -0.81 -1.13 0.00 0.00 0.00 178.15 177.10 1pls h ASN 97 N 0.13 0.19 -0.01 1.72 -0.73 -1.43 -2.59 115.58 112.86 1pls h ASN 97 Ca -0.04 -0.15 -0.13 0.00 1.87 0.00 0.00 56.30 57.86 1pls h ASN 97 Cb 1.41 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 39.96 1pls h ASN 97 CO 0.13 0.92 -0.49 0.50 -0.37 0.00 0.00 177.43 178.11 1pls h LYS 98 N 0.09 0.35 -0.73 6.67 1.63 -1.08 -1.06 116.57 122.45 1pls h LYS 98 Ca -0.03 -0.36 0.04 0.00 -0.85 0.00 0.00 60.65 59.45 1pls h LYS 98 Cb 1.41 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 33.09 1pls h LYS 98 CO 0.12 1.04 0.45 0.00 -3.45 0.00 0.00 179.45 177.61 1pls h ALA 99 N 0.32 0.97 -0.29 5.00 0.00 -1.38 0.99 119.26 124.87 1pls h ALA 99 Ca -0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1pls h ALA 99 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1pls h ALA 99 CO 0.10 0.21 -0.44 0.82 0.00 0.00 0.00 179.25 179.94 1pls h ILE 100 N 0.86 1.29 0.00 0.00 2.04 -1.49 -2.08 117.51 118.13 1pls h ILE 100 Ca 0.30 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1pls h ILE 100 Cb 0.07 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1pls h ILE 100 CO -0.13 0.52 0.00 1.17 0.00 0.00 0.00 178.15 179.71 1pls n LYS 101 N -4.02 0.03 -0.02 2.37 3.00 -0.40 -2.44 118.16 116.67 1pls n LYS 101 Ca -0.02 0.21 -0.20 0.00 -0.00 0.00 0.00 58.31 58.30 1pls n LYS 101 Cb 0.55 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.90 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pls h ILE 103 N 0.06 1.26 0.00 0.00 1.08 -1.21 1.00 117.51 119.70 1pls h ILE 103 Ca -0.44 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1pls h ILE 103 Cb 2.02 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1pls h ILE 103 CO 0.06 0.39 0.00 -0.62 -0.69 0.00 0.00 178.15 177.29 1pls n GLU 104 N -4.23 0.11 -0.04 2.37 1.02 -1.02 -2.12 120.64 116.73 1pls n GLU 104 Ca 0.04 0.21 0.01 0.00 -0.02 0.00 0.00 57.16 57.40 1pls n GLU 104 Cb 0.30 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.14 0.34 2.66 0.62 0.00 -0.43 -4.84 105.19 103.40 1pls n GLY 105 Ca 0.05 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1pls n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pls n LEU 106 N -0.31 7.45 -4.51 0.99 4.77 0.33 -4.97 117.00 120.76 1pls n LEU 106 Ca 0.01 -5.05 -0.40 0.00 -0.03 0.00 0.00 56.01 50.54 1pls n LEU 106 Cb 0.42 -1.19 -0.12 0.00 -2.33 0.00 0.00 43.42 40.20 1pls n LEU 106 CO 0.00 1.96 2.17 -0.62 -1.33 0.00 0.00 177.39 179.56 1pls n GLU 107 N 0.23 0.29 -3.96 3.23 -0.58 -1.26 -4.87 120.64 113.73 1pls n GLU 107 Ca 0.52 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.99 1pls n GLU 107 Cb 0.28 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.09 1pls n GLU 107 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1pls n HIS 108 N 11.94 -0.08 -2.44 -0.32 1.44 -1.26 -5.03 115.22 119.47 1pls n HIS 108 Ca 0.58 -2.24 -0.38 0.00 -2.01 0.00 0.00 57.72 53.66 1pls n HIS 108 Cb 0.17 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 1pls n HIS 108 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1pls s HIS 109 N -2.62 2.31 -0.70 -1.40 0.09 -1.26 -4.91 115.29 106.80 1pls s HIS 109 Ca 0.20 -0.35 -0.29 0.00 -0.00 0.00 0.00 55.06 54.63 1pls s HIS 109 Cb -0.02 -4.54 -0.14 0.00 -0.00 0.00 0.00 32.58 27.89 1pls s HIS 109 CO 0.13 -1.95 2.53 0.72 -0.00 0.00 0.00 174.74 176.17 1pls n HIS 110 N 10.11 1.07 0.70 1.40 8.25 -1.26 -4.71 115.22 130.78 1pls n HIS 110 Ca 0.28 0.24 0.09 0.00 -0.26 0.00 0.00 57.72 58.07 1pls n HIS 110 Cb 0.50 -2.52 0.26 0.00 1.12 0.00 0.00 29.99 29.35 1pls n HIS 110 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1pls n HIS 111 N 13.38 0.48 -2.19 4.41 1.44 -1.26 -4.92 115.22 126.55 1pls n HIS 111 Ca 0.50 -0.24 -0.41 0.00 -2.01 0.00 0.00 57.72 55.56 1pls n HIS 111 Cb 0.31 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 1pls n HIS 111 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1pls s HIS 112 N -1.52 3.18 0.00 -1.40 3.76 -1.26 -5.34 115.29 112.70 1pls s HIS 112 Ca 0.33 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1pls s HIS 112 Cb 0.18 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1pls s HIS 112 CO 0.25 -1.62 0.00 1.58 -0.85 0.00 0.00 174.74 174.10